Water-sensitive positron trapping modes in nanoporous magnesium aluminate ceramics

NASA Astrophysics Data System (ADS)

Filipecki, J.; Ingram, A.; Klym, H.; Shpotyuk, O.; Vakiv, M.

2007-08-01

The water-sensitive positron trapping modes in nanoporous MgAl2O4 ceramics with a spinel structure are studied. It is shown that water-sorption processes in magnesium aluminate ceramics leads to corresponding increase in positron trapping rates of extended defects located near intergranual boundaries. This catalytic affect has reversible nature, being strongly dependent on sorption water fluxes in ceramics. The fixation of all water-dependent positron trapping inputs allow to refine the most significant changes in positron trapping rate of extended defects.

Mechanism of Na accumulation at extended defects in Si from first-principles

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Chan, Maria K. Y.

2018-04-01

Sodium (Na) impurities in silicon solar cells are considered to play an important role in potential-induced degradation (PID), a significant cause of solar cell degradation and failure. Shorting due to Na accumulation at extended defects has been suggested as a culprit for PID. However, it is not clear how the extended defects are decorated by Na impurities. Using first-principles density functional theory calculations, we find that Na impurities segregate from the bulk into extended defects such as intrinsic stacking faults and Σ3 (111) grain boundaries. The energy barrier required for Na to escape from the extended defects is substantial and similar to the sum of the barrier energy in bulk Si (1.1-1.2 eV) and the segregation energy to the stacking fault (˜0.7 eV). Surprisingly, the migration barrier for Na diffusion within the extended defects is even higher than the energy barrier for escaping. The results suggest that the extended defects likely accumulate Na as the impurities segregate to the defects from the bulk, rather than because of migration through the extended defects.

Extended Tersoff potential for boron nitride: Energetics and elastic properties of pristine and defective h -BN

NASA Astrophysics Data System (ADS)

Los, J. H.; Kroes, J. M. H.; Albe, K.; Gordillo, R. M.; Katsnelson, M. I.; Fasolino, A.

2017-11-01

We present an extended Tersoff potential for boron nitride (BN-ExTeP) for application in large scale atomistic simulations. BN-ExTeP accurately describes the main low energy B, N, and BN structures and yields quantitatively correct trends in the bonding as a function of coordination. The proposed extension of the bond order, added to improve the dependence of bonding on the chemical environment, leads to an accurate description of point defects in hexagonal BN (h -BN) and cubic BN (c -BN). We have implemented this potential in the molecular dynamics LAMMPS code and used it to determine some basic properties of pristine 2D h -BN and the elastic properties of defective h -BN as a function of defect density at zero temperature. Our results show that there is a strong correlation between the size of the static corrugation induced by the defects and the weakening of the in-plane elastic moduli.

Predicting the structure of screw dislocations in nanoporous materials

NASA Astrophysics Data System (ADS)

Walker, Andrew M.; Slater, Ben; Gale, Julian D.; Wright, Kate

2004-10-01

Extended microscale crystal defects, including dislocations and stacking faults, can radically alter the properties of technologically important materials. Determining the atomic structure and the influence of defects on properties remains a major experimental and computational challenge. Using a newly developed simulation technique, the structure of the 1/2a <100> screw dislocation in nanoporous zeolite A has been modelled. The predicted channel structure has a spiral form that resembles a nanoscale corkscrew. Our findings suggest that the dislocation will enhance the transport of molecules from the surface to the interior of the crystal while retarding transport parallel to the surface. Crucially, the dislocation creates an activated, locally chiral environment that may have enantioselective applications. These predictions highlight the influence that microscale defects have on the properties of structurally complex materials, in addition to their pivotal role in crystal growth.

An extension of fracture mechanics/technology to larger and smaller cracks/defects

PubMed Central

Abé, Hiroyuki

2009-01-01

Fracture mechanics/technology is a key science and technology for the design and integrity assessment of the engineering structures. However, the conventional fracture mechanics has mostly targeted a limited size of cracks/defects, say of from several hundred microns to several tens of centimeters. The author and his group has tried to extend that limited size and establish a new version of fracture technology for very large cracks used in geothermal energy extraction and for very small cracks/defects or damage often appearing in the combination of mechanical and electronic components of engineering structures. Those new versions are reviewed in this paper. PMID:19907123

An extension of fracture mechanics/technology to larger and smaller cracks/defects.

PubMed

Abé, Hiroyuki

2009-01-01

Fracture mechanics/technology is a key science and technology for the design and integrity assessment of the engineering structures. However, the conventional fracture mechanics has mostly targeted a limited size of cracks/defects, say of from several hundred microns to several tens of centimeters. The author and his group has tried to extend that limited size and establish a new version of fracture technology for very large cracks used in geothermal energy extraction and for very small cracks/defects or damage often appearing in the combination of mechanical and electronic components of engineering structures. Those new versions are reviewed in this paper.

Classification of defects in honeycomb composite structure of helicopter rotor blades

NASA Astrophysics Data System (ADS)

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.

Accurate modeling of defects in graphene transport calculations

NASA Astrophysics Data System (ADS)

Linhart, Lukas; Burgdörfer, Joachim; Libisch, Florian

2018-01-01

We present an approach for embedding defect structures modeled by density functional theory into large-scale tight-binding simulations. We extract local tight-binding parameters for the vicinity of the defect site using Wannier functions. In the transition region between the bulk lattice and the defect the tight-binding parameters are continuously adjusted to approach the bulk limit far away from the defect. This embedding approach allows for an accurate high-level treatment of the defect orbitals using as many as ten nearest neighbors while keeping a small number of nearest neighbors in the bulk to render the overall computational cost reasonable. As an example of our approach, we consider an extended graphene lattice decorated with Stone-Wales defects, flower defects, double vacancies, or silicon substitutes. We predict distinct scattering patterns mirroring the defect symmetries and magnitude that should be experimentally accessible.

Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com; Yadav, A. K.

2016-04-04

This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It ismore » a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.« less

Initial postbuckling analysis of elastoplastic thin-shear structures

NASA Technical Reports Server (NTRS)

Carnoy, E. G.; Panosyan, G.

1984-01-01

The design of thin shell structures with respect to elastoplastic buckling requires an extended analysis of the influence of initial imperfections. For conservative design, the most critical defect should be assumed with the maximum allowable magnitude. This defect is closely related to the initial postbuckling behavior. An algorithm is given for the quasi-static analysis of the postbuckling behavior of structures that exhibit multiple buckling points. the algorithm based upon an energy criterion allows the computation of the critical perturbation which will be employed for the definition of the critical defect. For computational efficiency, the algorithm uses the reduced basis technique with automatic update of the modal basis. The method is applied to the axisymmetric buckling of cylindrical shells under axial compression, and conclusions are given for future research.

I2 basal stacking fault as a degradation mechanism in reverse gate-biased AlGaN/GaN HEMTs

NASA Astrophysics Data System (ADS)

Lang, A. C.; Hart, J. L.; Wen, J. G.; Miller, D. J.; Meyer, D. J.; Taheri, M. L.

2016-09-01

Here, we present the observation of a bias-induced, degradation-enhancing defect process in plasma-assisted molecular beam epitaxy grown reverse gate-biased AlGaN/GaN high electron mobility transistors (HEMTs), which is compatible with the current theoretical framework of HEMT degradation. Specifically, we utilize both conventional transmission electron microscopy and aberration-corrected transmission electron microscopy to analyze microstructural changes in not only high strained regions in degraded AlGaN/GaN HEMTs but also the extended gate-drain access region. We find a complex defect structure containing an I2 basal stacking fault and offer a potential mechanism for device degradation based on this defect structure. This work supports the reality of multiple failure mechanisms during device operation and identifies a defect potentially involved with device degradation.

Theoretical study of optical properties of anti phase domains in GaP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tea, E., E-mail: etea.contact@gmail.com; FOTON INSA-Rennes; Vidal, J.

III-V/Si heterostructures are currently investigated for silicon photonics and solar energy conversion. In particular, dilute nitride alloy GaAsPN grown on a GaP/Si platform exhibits lattice match with Si and an optimal band gap configuration for tandem solar cell devices. However, monolithic “coherent” growth of the GaP thin layer on Si suffers from the nucleation of extended structural defects, which can hamper device operation as well as the GaP/Si interface level and through their propagation inside the overall heterostructure. However, the effect of such structural defects on optical and transport properties is actually not well understood in details. In this letter,more » we investigate the anti phase domains defect (also called inversion domains) by means of ab initio calculations giving insights into the alteration of optical and transport properties of GaP due to the defective GaP/Si interface.« less

Defect printability of ArF alternative phase-shift mask: a critical comparison of simulation and experiment

NASA Astrophysics Data System (ADS)

Ozawa, Ken; Komizo, Tooru; Ohnuma, Hidetoshi

2002-07-01

An alternative phase shift mask (alt-PSM) is a promising device for extending optical lithography to finer design rules. There have been few reports, however, on the mask's ability to identify phase defects. We report here an alt-PSM of a single-trench type with undercut for ArF exposure, with programmed phase defects used to evaluate defect printability by measuring aerial images with a Zeiss MSM193 measuring system. The experimental results are simulated using the TEMPEST program. First, a critical comparison of the simulation and the experiment is conducted. The actual measured topographies of quartz defects are used in the simulation. Moreover, a general simulation study on defect printability using an alt-PSM for ArF exposure is conducted. The defect dimensions, which produce critical CD errors, are determined by simulation that takes into account the full 3-dimensional structure of phase defects as well as a simplified structure. The critical dimensions of an isolated bump defect identified by the alt-PSM of a single-trench type with undercut for ArF exposure are 300 nm in bottom dimension and 74 degrees in height (phase) for the real shape, where the depth of wet-etching is 100 nm and the CD error limit is +/- 5 percent.

Defect printability of alternating phase-shift mask: a critical comparison of simulation and experiment

NASA Astrophysics Data System (ADS)

Ozawa, Ken; Komizo, Tooru; Kikuchi, Koji; Ohnuma, Hidetoshi; Kawahira, Hiroichi

2002-07-01

An alternative phase shift mask (alt-PSM) is a promising device for extending optical lithography to finer design rules. There have been few reports, however, on the mask's ability to identify phase defects. We report here an alt-PSM of a dual-trench type for KrF exposure, with programmed quartz defects used to evaluate defect printability by measuring aerial images with a Zeiss MSM100 measuring system. The experimental results are simulated using the TEMPEST program. First, a critical comparison of the simulation and the experiment is conducted. The actual measured topography of quartz defects are used in the simulation. Moreover, a general simulation study on defect printability using an alt-PSM for ArF exposure is conducted. The defect dimensions, which produce critical CD errors are determined by simulation that takes into account the full 3-dimensional structure of phase defects as well as a simplified structure. The critical dimensions of an isolated defect identified by the alt-PSM of a single-trench type for ArF exposure are 240 nm in bottom diameter and 50 degrees in height (phase) for the cylindrical shape and 240 nm in bottom diameter and 90 degrees in height (phase) for the rotating trapezoidal shape, where the CD error limit is +/- 5%.

Defect levels of semi-insulating CdMnTe:In crystals

NASA Astrophysics Data System (ADS)

Kim, K. H.; Bolotinikov, A. E.; Camarda, G. S.; Hossain, A.; Gul, R.; Yang, G.; Cui, Y.; Prochazka, J.; Franc, J.; Hong, J.; James, R. B.

2011-06-01

Using photoluminescence (PL) and current deep-level transient spectroscopy (I-DLTS), we investigated the electronic defects of indium-doped detector-grade CdMnTe:In (CMT:In) crystals grown by the vertical Bridgman method. We similarly analyzed CdZnTe:In (CZT:In) and undoped CdMnTe (CMT) crystals grown under the amount of same level of excess Te and/or indium doping level to detail the fundamental properties of the electronic defect structure more readily. Extended defects, existing in all the samples, were revealed by synchrotron white beam x-ray diffraction topography and scanning electron microscopy. The electronic structure of CMT is very similar to that of CZT, with shallow traps, A-centers, Cd vacancies, deep levels, and Te antisites. The 1.1-eV deep level, revealed by PL in earlier studies of CZT and CdTe, were attributed to dislocation-induced defects. In our I-DLTS measurements, the 1.1-eV traps showed different activation energies with applied bias voltage and an exponential dependence on the trap-filling time, which are typical characteristics of dislocation-induced defects. We propose a new defect-trap model for indium-doped CMT crystals.

Tuning thermal conduction via extended defects in graphene

NASA Astrophysics Data System (ADS)

Huang, Huaqing; Xu, Yong; Zou, Xiaolong; Wu, Jian; Duan, Wenhui

2013-05-01

Designing materials for desired thermal conduction can be achieved via extended defects. We theoretically demonstrate the concept by investigating thermal transport in graphene nanoribbons (GNRs) with the extended line defects observed by recent experiments. Our nonequilibrium Green's function study excluding phonon-phonon interactions finds that thermal conductance can be tuned over wide ranges (more than 50% at room temperature), by controlling the orientation and the bond configuration of the embedded extended defect. Further transmission analysis reveals that the thermal-conduction tuning is attributed to two fundamentally different mechanisms, via modifying the phonon dispersion and/or tailoring the strength of defect scattering. The finding, applicable to other materials, provides useful guidance for designing materials with desired thermal conduction.

Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

NASA Astrophysics Data System (ADS)

Burgess, K.; Cooper, R. F.

2011-12-01

Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of oxides clearly affect the presence and density of the defects. Olivine-ilmenite experiments were also carried out in varying fO2 and fH2O conditions. Thermodynamic calculations for concentrations of point defects, defect association(s) and defect condensation in olivine can relate experimental data for measured diffusivities to discerning natural conditions where condensed-defect, fast-path diffusion in olivine could be significant. Planar extended defects can potentially play a role in the kinetics of deformation of olivine in the mantle, particularly as the condensation reaction lowers the activity of mobile point defects. Cherniak, Am. Mineral. 95 (2010) 362-368. Hart, Acta Met. 5 (1957) 597. Hermann et al., Contrib. Mineral. Petrol. 153 (2007) 417-428. Portnyagin et al., Earth Planet. Sci.Lett. 272 (2008) 541-552. Risold et al., Contrib. Mineral. Petrol. 142 (2001) 619-628. Spandler and O'Neill, Contrib. Mineral. Petrol. 159 (2010) 791-818.

Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only).

PubMed

Domain, C; Olsson, P; Becquart, C S; Legris, A; Guillemoles, J F

2008-02-13

Ab initio density functional theory calculations are carried out in order to predict the evolution of structural materials under aggressive working conditions such as cases with exposure to corrosion and irradiation, as well as to predict and investigate the properties of functional materials for photovoltaic energy applications. Structural metallic materials used in nuclear facilities are subjected to irradiation which induces the creation of large amounts of point defects. These defects interact with each other as well as with the different elements constituting the alloys, which leads to modifications of the microstructure and the mechanical properties. VASP (Vienna Ab initio Simulation Package) has been used to determine the properties of point defect clusters and also those of extended defects such as dislocations. The resulting quantities, such as interaction energies and migration energies, are used in larger scale simulation methods in order to build predictive tools. For photovoltaic energy applications, ab initio calculations are used in order to search for new semiconductors and possible element substitutions for existing ones in order to improve their efficiency.

Pass-Band Characteristics of an L-Shaped Waveguide in a Diamond Structure Photonic Crystal

NASA Astrophysics Data System (ADS)

Chen, Shibin; Ma, Jingcun; Yao, Yunshi; Liu, Xin; Lin, Ping

2018-06-01

The conduction characteristics of a L-shaped waveguide in a diamond structure photonic crystal is investigated in this paper. The waveguides were fabricated with titanium dioxide ceramic via 3-D printing and sintering. The effects of the position and size of line defects on the transmission characteristics are first simulated using a finite-difference time-domain method. The simulated results show that, when the length of the rectangular defect equals the lattice constant, multiple extended modes are generated. When the centers of the single unit cell of the diamond structure and the line defect waveguide coincide, higher transmission efficiency in the line defect can be achieved. In addition, the corner of the L-shaped waveguide was optimized to reduce reflection loss at the turning point using the arc transition of the large diameter. Our experimental results indicate that L-shaped waveguides with an optimized photonic band gap structure and high-K materials can produce a pass-band between 13.8 GHz and 14.4 GHz and increase transmission efficiency. The computed results agree with the experimental results. Our results may help the integration of microwave devices in the future and possibly enable new applications of photonic crystals.

Leading Modes of the 3pi0 production in proton-proton collisions at incident proton momentum 3.35GeV/c

NASA Astrophysics Data System (ADS)

Jampana, Balakrishnam R.

The III-nitride semiconductor material system, which consists of InN, GaN, AlN and their alloys, offers a substantial potential in developing ultra-high efficiency photovoltaics mainly due to its wide range of direct-bandgap (0.7 eV -- 3.4 eV), and other electronic, optical and mechanical properties. However, this novel InGaN material system poses technological challenges which extended into the performance of InGaN devices. The development of wide-band gap p--n InGaN homojunction solar cells with bandgap < 2.4 eV is investigated in the present work. The growth, fabrication and characterization of a 2.7 eV bandgap InGaN solar cell with a 1.73 eV open-circuit voltage is demonstrated. Limited solar cell performance, in terms of short-circuit current and efficiency, is observed. The poor performance of the InGaN solar cell is related to the formation of extended crystalline defects in InGaN epilayers of the solar cell structure. To investigate the influence of extended crystalline defects on InGaN epilayer properties, a few In0.12Ga0.88N epilayers with different thicknesses are grown and characterized for structural properties using high-resolution X-ray diffraction. The structural parameters, modeled as mosaic blocks, indicate deterioration in InGaN crystal quality when the film thickness exceeds a critical layer thickness. An associated increase in density of threading dislocations with deteriorated InGaN crystal quality is observed. The critical layer thickness is determined for a few InGaN compositions in the range of 6 -- 21 % In, and it decreases with increasing InGaN composition. Surface roughening and formation of V-defects are observed on InGaN surface beyond the critical layer thickness. An Urbach tail in optical absorption of InGaN epilayer is observed and it is related to the formation of V-defects. The direct consequence of light absorption via V-defects is a decrease in photoluminescence peak intensity with increasing InGaN epilayer thickness beyond critical layer thickness. Two p-i-n InGaN solar cell structures were designed, with InGaN epilayer thickness in one solar cell greater than the critical layer thickness and the other with a lower thickness, to investigate the influence of V-defects on performance of the solar cells. The photoresponse of the p-i-n InGaN solar cell with thicker InGaN epilayer is poor, while the other solar cell had good photoresponse and external quantum efficiency. Extending this investigation to a p-n InGaN solar cell, a solar cell with total InGaN epilayer less than the critical layer thickness is grown. The photoresponse and external quantum efficiency of the present solar cell is superior compared to the initially designed p-n InGaN homojunction solar cells. Solar cell characteristics without p-GaN capping layer in the above p-n InGaN solar cell are also investigated. Good open-circuit voltage is observed, but the short-circuit current and efficiency are limited by the formation of extended crystalline defects, as observed with other initial solar cell designs. A processing sequence is developed to coat III-nitride sidewalls, created during fabrication to form electrical contacts, with SiO2 to maximize the active device area and minimize accidental damage of solar cell during fabrication. Additionally, deposition of current spreading layers on p-type III-nitride epilayer to reduce the series resistance is evaluated. The III-nitrides are primarily grown on sapphire substrate and in a continued effort they are realized later on silicon substrate. InGaN solar cell structures were grown simultaneously on GaN/sapphire and GaN/silicon templates and their photoresponse is compared.

Evaluation of crystallographic strain, rotation and defects in functional oxides by the moiré effect in scanning transmission electron microscopy.

PubMed

Naden, A B; O'Shea, K J; MacLaren, D A

2018-04-20

Moiré patterns in scanning transmission electron microscopy (STEM) images of epitaxial perovskite oxides are used to assess strain and defect densities over fields of view extending over several hundred nanometers. The patterns arise from the geometric overlap of the rastered STEM electron beam and the samples' crystal periodicities and we explore the emergence and application of these moiré fringes for rapid strain analysis. Using the epitaxial functional oxide perovskites BiFeO 3 and Pr 1-x Ca x MnO 3 , we discuss the impact of large degrees of strain on the quantification of STEM moiré patterns, identify defects in the fringe patterns and quantify strain and lattice rotation. Such a wide-area analysis of crystallographic strain and defects is crucial for developing structure-function relations of functional oxides and we find the STEM moiré technique to be an attractive means of structural assessment that can be readily applied to low dose studies of damage sensitive crystalline materials.

Evaluation of crystallographic strain, rotation and defects in functional oxides by the moiré effect in scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Naden, A. B.; O'Shea, K. J.; MacLaren, D. A.

2018-04-01

Moiré patterns in scanning transmission electron microscopy (STEM) images of epitaxial perovskite oxides are used to assess strain and defect densities over fields of view extending over several hundred nanometers. The patterns arise from the geometric overlap of the rastered STEM electron beam and the samples’ crystal periodicities and we explore the emergence and application of these moiré fringes for rapid strain analysis. Using the epitaxial functional oxide perovskites BiFeO3 and Pr1-x Ca x MnO3, we discuss the impact of large degrees of strain on the quantification of STEM moiré patterns, identify defects in the fringe patterns and quantify strain and lattice rotation. Such a wide-area analysis of crystallographic strain and defects is crucial for developing structure-function relations of functional oxides and we find the STEM moiré technique to be an attractive means of structural assessment that can be readily applied to low dose studies of damage sensitive crystalline materials.

Elastic plastic fracture mechanics methodology for surface cracks

NASA Astrophysics Data System (ADS)

Ernst, Hugo A.; Boatwright, D. W.; Curtin, W. J.; Lambert, D. M.

1993-08-01

The Elastic Plastic Fracture Mechanics (EPFM) Methodology has evolved significantly in the last several years. Nevertheless, some of these concepts need to be extended further before the whole methodology can be safely applied to structural parts. Specifically, there is a need to include the effect of constraint in the characterization of material resistance to crack growth and also to extend these methods to the case of 3D defects. As a consequence, this project was started as a 36 month research program with the general objective of developing an EPFM methodology to assess the structural reliability of pressure vessels and other parts of interest to NASA containing defects. This report covers a computer modelling algorithm used to simulate the growth of a semi-elliptical surface crack; the presentation of a finite element investigation that compared the theoretical (HRR) stress field to that produced by elastic and elastic-plastic models; and experimental efforts to characterize three dimensional aspects of fracture present in 'two dimensional', or planar configuration specimens.

Elastic plastic fracture mechanics methodology for surface cracks

NASA Technical Reports Server (NTRS)

Ernst, Hugo A.; Boatwright, D. W.; Curtin, W. J.; Lambert, D. M.

1993-01-01

The Elastic Plastic Fracture Mechanics (EPFM) Methodology has evolved significantly in the last several years. Nevertheless, some of these concepts need to be extended further before the whole methodology can be safely applied to structural parts. Specifically, there is a need to include the effect of constraint in the characterization of material resistance to crack growth and also to extend these methods to the case of 3D defects. As a consequence, this project was started as a 36 month research program with the general objective of developing an EPFM methodology to assess the structural reliability of pressure vessels and other parts of interest to NASA containing defects. This report covers a computer modelling algorithm used to simulate the growth of a semi-elliptical surface crack; the presentation of a finite element investigation that compared the theoretical (HRR) stress field to that produced by elastic and elastic-plastic models; and experimental efforts to characterize three dimensional aspects of fracture present in 'two dimensional', or planar configuration specimens.

Time-resolved correlative optical microscopy of charge-carrier transport, recombination, and space-charge fields in CdTe heterostructures

DOE PAGES

Kuciauskas, Darius; Myers, Thomas H.; Barnes, Teresa M.; ...

2017-02-20

From time- and spatially resolved optical measurements, we show that extended defects can have a large effect on the charge-carrier recombination in II-VI semiconductors. In CdTe double heterostructures grown by molecular beam epitaxy on the InSb (100)-orientation substrates, we characterized the extended defects and found that near stacking faults the space-charge field extends by 2-5 μm. Charge carriers drift (with the space-charge field strength of 730-1,360 V cm -1) and diffuse (with the mobility of 260 ± 30 cm 2 V -1 s -1) toward the extended defects, where the minority-carrier lifetime is reduced from 560 ns to 0.25 ns.more » Furthermore, the extended defects are nonradiative recombination sinks that affect areas significantly larger than the typical crystalline grains in II-VI solar cells. From the correlative time-resolved photoluminescence and second-harmonic generation microscopy data, we developed a band-diagram model that can be used to analyze the impact of extended defects on solar cells and other electronic devices.« less

Time-resolved correlative optical microscopy of charge-carrier transport, recombination, and space-charge fields in CdTe heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuciauskas, Darius; Myers, Thomas H.; Barnes, Teresa M.

From time- and spatially resolved optical measurements, we show that extended defects can have a large effect on the charge-carrier recombination in II-VI semiconductors. In CdTe double heterostructures grown by molecular beam epitaxy on the InSb (100)-orientation substrates, we characterized the extended defects and found that near stacking faults the space-charge field extends by 2-5 μm. Charge carriers drift (with the space-charge field strength of 730-1,360 V cm -1) and diffuse (with the mobility of 260 ± 30 cm 2 V -1 s -1) toward the extended defects, where the minority-carrier lifetime is reduced from 560 ns to 0.25 ns.more » Furthermore, the extended defects are nonradiative recombination sinks that affect areas significantly larger than the typical crystalline grains in II-VI solar cells. From the correlative time-resolved photoluminescence and second-harmonic generation microscopy data, we developed a band-diagram model that can be used to analyze the impact of extended defects on solar cells and other electronic devices.« less

Local structure and defects in ion irradiated KTaO3

NASA Astrophysics Data System (ADS)

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.

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

3D lattice distortions and defect structures in ion-implanted nano-crystals

DOE PAGES

Hofmann, Felix; Robinson, Ian K.; Tarleton, Edmund; ...

2017-04-06

The ability of Focused Ion Beam (FIB) techniques to cut solid matter at the nano-scale revolutionized the study of material structure across the life-, earth- and material sciences. But a detailed understanding of the damage caused by the ion beam and its effect on material properties remains elusive. We examine this damage in 3D using coherent X-ray diffraction to measure the full lattice strain tensor in FIB-milled gold nano-crystals. We also found that even very low ion doses, previously thought to be negligible, cause substantial lattice distortions. At higher doses, extended self-organized defect structures appear. Combined with detailed numerical calculations,more » these observations allow fundamental insight into the nature of the damage created and the structural instabilities that lead to a surprisingly inhomogeneous morphology.« less

3D lattice distortions and defect structures in ion-implanted nano-crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, Felix; Robinson, Ian K.; Tarleton, Edmund

The ability of Focused Ion Beam (FIB) techniques to cut solid matter at the nano-scale revolutionized the study of material structure across the life-, earth- and material sciences. But a detailed understanding of the damage caused by the ion beam and its effect on material properties remains elusive. We examine this damage in 3D using coherent X-ray diffraction to measure the full lattice strain tensor in FIB-milled gold nano-crystals. We also found that even very low ion doses, previously thought to be negligible, cause substantial lattice distortions. At higher doses, extended self-organized defect structures appear. Combined with detailed numerical calculations,more » these observations allow fundamental insight into the nature of the damage created and the structural instabilities that lead to a surprisingly inhomogeneous morphology.« less

Solute segregation and deviation from bulk thermodynamics at nanoscale crystalline defects.

PubMed

Titus, Michael S; Rhein, Robert K; Wells, Peter B; Dodge, Philip C; Viswanathan, Gopal Babu; Mills, Michael J; Van der Ven, Anton; Pollock, Tresa M

2016-12-01

It has long been known that solute segregation at crystalline defects can have profound effects on material properties. Nevertheless, quantifying the extent of solute segregation at nanoscale defects has proven challenging due to experimental limitations. A combined experimental and first-principles approach has been used to study solute segregation at extended intermetallic phases ranging from 4 to 35 atomic layers in thickness. Chemical mapping by both atom probe tomography and high-resolution scanning transmission electron microscopy demonstrates a markedly different composition for the 4-atomic-layer-thick phase, where segregation has occurred, compared to the approximately 35-atomic-layer-thick bulk phase of the same crystal structure. First-principles predictions of bulk free energies in conjunction with direct atomistic simulations of the intermetallic structure and chemistry demonstrate the breakdown of bulk thermodynamics at nanometer dimensions and highlight the importance of symmetry breaking due to the proximity of interfaces in determining equilibrium properties.

Solute segregation and deviation from bulk thermodynamics at nanoscale crystalline defects

PubMed Central

Titus, Michael S.; Rhein, Robert K.; Wells, Peter B.; Dodge, Philip C.; Viswanathan, Gopal Babu; Mills, Michael J.; Van der Ven, Anton; Pollock, Tresa M.

2016-01-01

It has long been known that solute segregation at crystalline defects can have profound effects on material properties. Nevertheless, quantifying the extent of solute segregation at nanoscale defects has proven challenging due to experimental limitations. A combined experimental and first-principles approach has been used to study solute segregation at extended intermetallic phases ranging from 4 to 35 atomic layers in thickness. Chemical mapping by both atom probe tomography and high-resolution scanning transmission electron microscopy demonstrates a markedly different composition for the 4–atomic-layer–thick phase, where segregation has occurred, compared to the approximately 35–atomic-layer–thick bulk phase of the same crystal structure. First-principles predictions of bulk free energies in conjunction with direct atomistic simulations of the intermetallic structure and chemistry demonstrate the breakdown of bulk thermodynamics at nanometer dimensions and highlight the importance of symmetry breaking due to the proximity of interfaces in determining equilibrium properties. PMID:28028543

Multi-modal STEM-based tomography of HT-9 irradiated in FFTF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Field, Kevin G.; Eftink, Benjamin Paul; Saleh, Tarik A.

Under irradiation, point defects and defect clusters can agglomerate to form extended two and three dimensional (2D/3D) defects. The formation of defects can be synergistic in nature with one defect or defect-type influencing the formation and/or evolution of another. The resul is a need exists to perform advanced characterization where microstructures are accurately reproduced in 3D. Here, HT-9 neutron irradiated in the FFTF was used to evaluate the ability of multi-tilt STEM-based tomography to reproduce the fine-scale radiation-induced microstructure. High-efficiency STEM-EDS was used to provide both structural and chemical information during the 3D reconstruction. The results show similar results tomore » a previous two-tilt tomography study on the same material; the α' phase is denuded around the Ni-Si-Mn rich G-phase and cavities. It is concluded both tomography reconstruction techniques are readily viable and could add significant value to the advanced characterization capabilities for irradiated materials.« less

Exploring combined dark and bright field illumination to improve the detection of defects on specular surfaces

NASA Astrophysics Data System (ADS)

Forte, Paulo M. F.; Felgueiras, P. E. R.; Ferreira, Flávio P.; Sousa, M. A.; Nunes-Pereira, Eduardo J.; Bret, Boris P. J.; Belsley, Michael S.

2017-01-01

An automatic optical inspection system for detecting local defects on specular surfaces is presented. The system uses an image display to produce a sequence of structured diffuse illumination patterns and a digital camera to acquire the corresponding sequence of images. An image enhancement algorithm, which measures the local intensity variations between bright- and dark-field illumination conditions, yields a final image in which the defects are revealed with a high contrast. Subsequently, an image segmentation algorithm, which compares statistically the enhanced image of the inspected surface with the corresponding image for a defect-free template, allows separating defects from non-defects with an adjusting decision threshold. The method can be applied to shiny surfaces of any material including metal, plastic and glass. The described method was tested on the plastic surface of a car dashboard system. We were able to detect not only scratches but also dust and fingerprints. In our experiment we observed a detection contrast increase from about 40%, when using an extended light source, to more than 90% when using a structured light source. The presented method is simple, robust and can be carried out with short cycle times, making it appropriate for applications in industrial environments.

The two gap transitions in Ge1 -xSnx : Effect of non-substitutional complex defects

NASA Astrophysics Data System (ADS)

Querales-Flores, J. D.; Ventura, C. I.; Fuhr, J. D.; Barrio, R. A.

2016-09-01

The existence of non-substitutional β-Sn defects in Ge1 -xSnx alloys was confirmed by emission channeling experiments [Decoster et al., Phys. Rev. B 81, 155204 (2010)], which established that, although most Sn enters substitutionally (α-Sn) in the Ge lattice, a second significant fraction corresponds to the Sn-vacancy defect complex in the split-vacancy configuration (β-Sn), in agreement with our previous theoretical study [Ventura et al., Phys. Rev. B 79, 155202 (2009)]. Here, we present the electronic structure calculations for Ge1 -xSnx , including the substitutional α-Sn as well as the non-substitutional β-Sn defects. To include the presence of the non-substitutional complex defects in the electronic structure calculation for this multi-orbital alloy problem, we extended the approach for the purely substitutional alloy by Jenkins and Dow [Phys. Rev. B 36, 7994 (1987)]. We employed an effective substitutional two-site cluster equivalent to the real non-substitutional β-Sn defect, which was determined by a Green's functions calculation. We then calculated the electronic structure of the effective alloy purely in terms of substitutional defects, embedding the effective substitutional clusters in the lattice. Our results describe the two transitions of the fundamental gap of Ge1 -xSnx as a function of the total Sn-concentration: namely, from an indirect to a direct gap, first, and the metallization transition at a higher x. They also highlight the role of β-Sn in the reduction of the concentration range, which corresponds to the direct-gap phase of this alloy of interest for the optoelectronics applications.

Reconfigurable interactions and three-dimensional patterning of colloidal particles and defects in lamellar soft media

PubMed Central

Trivedi, Rahul P.; Klevets, Ivan I.; Senyuk, Bohdan; Lee, Taewoo; Smalyukh, Ivan I.

2012-01-01

Colloidal systems find important applications ranging from fabrication of photonic crystals to direct probing of phenomena typically encountered in atomic crystals and glasses. New applications—such as nanoantennas, plasmonic sensors, and nanocircuits—pose a challenge of achieving sparse colloidal assemblies with tunable interparticle separations that can be controlled at will. We demonstrate reconfigurable multiscale interactions and assembly of colloids mediated by defects in cholesteric liquid crystals that are probed by means of laser manipulation and three-dimensional imaging. We find that colloids attract via distance-independent elastic interactions when pinned to the ends of cholesteric oily streaks, line defects at which one or more layers are interrupted. However, dislocations and oily streaks can also be optically manipulated to induce kinks, allowing one to lock them into the desired configurations that are stabilized by elastic energy barriers for structural transformation of the particle-connecting defects. Under the influence of elastic energy landscape due to these defects, sublamellar-sized colloids self-assemble into structures mimicking the cores of dislocations and oily streaks. Interactions between these defect-embedded colloids can be varied from attractive to repulsive by optically introducing dislocation kinks. The reconfigurable nature of defect–particle interactions allows for patterning of defects by manipulation of colloids and, in turn, patterning of particles by these defects, thus achieving desired colloidal configurations on scales ranging from the size of defect core to the sample size. This defect-colloidal sculpturing may be extended to other lamellar media, providing the means for optically guided self-assembly of mesoscopic composites with predesigned properties. PMID:22411822

Role of structural defects in the ultraviolet luminescence of multiwall boron nitride nanotubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pierret, Aurélie; Nong, Hanond; Fossard, Frédéric

2015-12-21

BN nanotubes (BNNTs) are structurally similar to their carbon counterparts, though much less investigated. New synthesis methods have been recently reported, enabling the production of industrial quantities and stimulating the search of new applications for the BNNTs. In this paper, we investigate the luminescence of multiwall BNNTs. By performing cathodoluminescence experiments on single tubes at 10 K, we show that the tube luminescence is highly heterogeneous (i) from tube to tube and (ii) spatially along a single tube. By combining cathodoluminescence measurements with a nanometer excitation and transmission electron microscopy on the same tube, we correlate luminescence and structural features. Wemore » conclude that the near-band-edge luminescence of BNNTs (≈5.4 eV) is related to the presence of extended structural defects, such as dislocations or ruptures in the wall stacking.« less

Assembly of the most topologically regular two-dimensional micro and nanocrystals with spherical, conical, and tubular shapes

NASA Astrophysics Data System (ADS)

Roshal, D. S.; Konevtsova, O. V.; Myasnikova, A. E.; Rochal, S. B.

2016-11-01

We consider how to control the extension of curvature-induced defects in the hexagonal order covering different curved surfaces. In these frames we propose a physical mechanism for improving structures of two-dimensional spherical colloidal crystals (SCCs). For any SCC comprising of about 300 or less particles the mechanism transforms all extended topological defects (ETDs) in the hexagonal order into the point disclinations. Perfecting the structure is carried out by successive cycles of the particle implantation and subsequent relaxation of the crystal. The mechanism is potentially suitable for obtaining colloidosomes with better selective permeability. Our approach enables modeling the most topologically regular tubular and conical two-dimensional nanocrystals including various possible polymorphic forms of the HIV viral capsid. Different HIV-like shells with an arbitrary number of structural units (SUs) and desired geometrical parameters are easily formed. Faceting of the obtained structures is performed by minimizing the suggested elastic energy.

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

NASA Astrophysics Data System (ADS)

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.

Charging effect at grain boundaries of MoS2

NASA Astrophysics Data System (ADS)

Yan, Chenhui; Dong, Xi; Li, Connie H.; Li, Lian

2018-05-01

Grain boundaries (GBs) are inherent extended defects in chemical vapor deposited (CVD) transition metal dichalcogenide (TMD) films. Characterization of the atomic structure and electronic properties of these GBs is crucial for understanding and controlling the properties of TMDs via defect engineering. Here, we report the atomic and electronic structure of GBs in CVD grown MoS2 on epitaxial graphene/SiC(0001). Using scanning tunneling microscopy/spectroscopy, we find that GBs mostly consist of arrays of dislocation cores, where the presence of mid-gap states shifts both conduction and valence band edges by up to 1 eV. Our findings demonstrate the first charging effect near GBs in CVD grown MoS2, providing insights into the significant impact GBs can have on materials properties.

Initial Arcuate Defects within the Central 10 Degrees in Glaucoma

PubMed Central

Raza, Ali S.; de Moraes, Carlos Gustavo V.; Odel, Jeffrey G.; Greenstein, Vivienne C.; Liebmann, Jeffrey M.; Ritch, Robert

2011-01-01

Purpose. To better understand the relationship between the spatial patterns of functional (visual field [VF] loss) and structural (axon loss) abnormalities in patients with glaucomatous arcuate defects largely confined to the central 10° on achromatic perimetry. Methods. Eleven eyes (9 patients) with arcuate glaucomatous VF defects largely confined to the macula were selected from a larger group of patients with both 10-2 and 24-2 VF tests. Eyes were included if their 10-2 VF had an arcuate defect and if the 24-2 test was normal outside the central 10° (i.e., did not have a cluster of three contiguous points within a hemifield). For the structural analysis, plots of retinal nerve fiber layer (RNFL) thickness of the macula were obtained with frequency-domain optical coherence tomography (fdOCT). The optic disc locations of the RNFL defects were identified on peripapillary fdOCT scans. Results. The VF arcuate defects extended to within 1° of fixation on the 10-2 test and were present in the superior hemifield in 10 of the 11 eyes. The arcuate RNFL damage, seen in the macular fdOCT scans of all 11 eyes, involved the temporal and inferior temporal portions of the disc on the peripapillary scans. Conclusions. Glaucomatous arcuate defects of the macula's RNFL meet the disc temporal to the peak of the main arcuate bundles and produce a range of macular VF defects from clear arcuate scotomas to a papillofoveal horizontal step (“pistol barrel scotoma”). If RGC displacement is taken into consideration, the RNFL and VF defects can be compared directly. PMID:20881293

Local structure and defects in ion irradiated KTaO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fuxiang; Xi, Jianqi; Zhang, Yanwen

Here, the modification of the local structure in cubic perovskite KTaO 3 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 L 3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta–O bonds in the TaO 6 octahedra splits, which is attributed to the formation of Ta K antisite defects that are coupled with oxygen vacancies, V O. This finding is consistent with the DFTmore » 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 Ta K-V O defects under subsequent irradiation with 1.1 GeV Au ions.« less

Local structure and defects in ion irradiated KTaO 3

DOE PAGES

Zhang, Fuxiang; Xi, Jianqi; Zhang, Yanwen; ...

2018-03-12

Here, the modification of the local structure in cubic perovskite KTaO 3 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 L 3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta–O bonds in the TaO 6 octahedra splits, which is attributed to the formation of Ta K antisite defects that are coupled with oxygen vacancies, V O. This finding is consistent with the DFTmore » 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 Ta K-V O defects under subsequent irradiation with 1.1 GeV Au ions.« less

Multimodal sparse reconstruction in guided wave imaging of defects in plates

NASA Astrophysics Data System (ADS)

Golato, Andrew; Santhanam, Sridhar; Ahmad, Fauzia; Amin, Moeness G.

2016-07-01

A multimodal sparse reconstruction approach is proposed for localizing defects in thin plates in Lamb wave-based structural health monitoring. The proposed approach exploits both the sparsity of the defects and the multimodal nature of Lamb wave propagation in plates. It takes into account the variation of the defects' aspect angles across the various transducer pairs. At low operating frequencies, only the fundamental symmetric and antisymmetric Lamb modes emanate from a transmitting transducer. Asymmetric defects scatter these modes and spawn additional converted fundamental modes. Propagation models are developed for each of these scattered and spawned modes arriving at the various receiving transducers. This enables the construction of modal dictionary matrices spanning a two-dimensional array of pixels representing potential defect locations in the region of interest. Reconstruction of the region of interest is achieved by inverting the resulting linear model using the group sparsity constraint, where the groups extend across the various transducer pairs and the different modes. The effectiveness of the proposed approach is established with finite-element scattering simulations of the fundamental Lamb wave modes by crack-like defects in a plate. The approach is subsequently validated with experimental results obtained from an aluminum plate with asymmetric defects.

Electrochemical-mechanical coupling in composite planar structures that integrate flow channels and ion-conducting membranes

DOE PAGES

Euser, Bryan Jeffry; Zhu, Huayang; Berger, John; ...

2017-01-01

Ceramic oxygen-transport membranes, such as the doped perovskite La 0.6Sr 0.4Co 0.8Fe 0.2O 3-δ(LSCF6482) considered in the present paper, are effective in applications such as air separation. The present paper considers a planar configuration that is composed of a thin (order tens of microns) ion-transport membrane, a relatively thick (order millimeter) porous-ceramic support structure, and millimeter-scale oxygen-collection flow channels. The lattice-scale strain associated with charged defects (oxygen vacancies and small polarons) within ion-transport membranes causes macroscopic stress that could distort or damage the assembly. The modeling approach is based on an extended twodimensional Nernst–Planck–Poisson (NPP) formulation that is developed andmore » applied to evaluate the effects of chemically induced stress within a planar oxygen-separation assembly. The computational model predicts two-dimensional distributions of steady-state defect concentrations, electrostatic potentials, and stress. Parameter studies consider the effects of support-membrane dimensions, materials mechanical properties, and operating conditions. Although the stress is found to have a negligible influence on the defect transport, the defect transport is found to significantly affect the stress distributions. Such results can play important roles in the design and development of planar ion-transport membranes and their support structures.« less

Structural and functional role of bases 32 and 33 in the anticodon loop of yeast mitochondrial tRNAIle

PubMed Central

Montanari, Arianna; De Luca, Cristina; Di Micco, Patrizio; Morea, Veronica; Frontali, Laura; Francisci, Silvia

2011-01-01

Previous work has demonstrated the usefulness of the yeast model to investigate the molecular mechanisms underlying defects due to base substitutions in mitochondrial tRNA genes, and to identify suppressing molecules endowed with potential clinical relevance. The present paper extends these investigations to two human equivalent yeast mutations located at positions 32 and 33 in the anticodon loop of tRNAIle. Notwithstanding the proximity of the two T>C base substitutions, the effects of these mutations have been found to be quite different in yeast, as they are in human. The T32C substitution has a very severe effect in yeast, consisting in a complete inhibition of growth on nonfermentable substrates. Conversely, respiratory defects caused by the T33C mutation could only be observed in a defined genetic context. Analyses of available sequences and selected tRNA three-dimensional structures were performed to provide explanations for the different behavior of these adjacent mutations. Examination of the effects of previously identified suppressors demonstrated that overexpression of the TUF1 gene did not rescue the defective phenotypes determined by either mutation, possibly as a consequence of the lack of interactions between EF-Tu and the tRNA anticodon arm in known structures. On the contrary, both the cognate IleRS and the noncognate LeuRS and ValRS are endowed with suppressing activities toward both mutations. This allows us to extend to the tRNAIle mutants the cross-suppression activity of aminoacyl-tRNA synthetases previously demonstrated for tRNALeu and tRNAVal mutants. PMID:21914842

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes.

PubMed

Fabbri, F; Rotunno, E; Cinquanta, E; Campi, D; Bonnini, E; Kaplan, D; Lazzarini, L; Bernasconi, M; Ferrari, C; Longo, M; Nicotra, G; Molle, A; Swaminathan, V; Salviati, G

2016-10-04

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS 2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS 2 indirect bandgap emission.

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes

PubMed Central

Fabbri, F.; Rotunno, E.; Cinquanta, E.; Campi, D.; Bonnini, E.; Kaplan, D.; Lazzarini, L.; Bernasconi, M.; Ferrari, C.; Longo, M.; Nicotra, G.; Molle, A.; Swaminathan, V.; Salviati, G.

2016-01-01

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS2 indirect bandgap emission. PMID:27698425

Novel near-infrared emission from crystal defects in MoS2 multilayer flakes

NASA Astrophysics Data System (ADS)

Fabbri, F.; Rotunno, E.; Cinquanta, E.; Campi, D.; Bonnini, E.; Kaplan, D.; Lazzarini, L.; Bernasconi, M.; Ferrari, C.; Longo, M.; Nicotra, G.; Molle, A.; Swaminathan, V.; Salviati, G.

2016-10-01

The structural defects in two-dimensional transition metal dichalcogenides, including point defects, dislocations and grain boundaries, are scarcely considered regarding their potential to manipulate the electrical and optical properties of this class of materials, notwithstanding the significant advances already made. Indeed, impurities and vacancies may influence the exciton population, create disorder-induced localization, as well as modify the electrical behaviour of the material. Here we report on the experimental evidence, confirmed by ab initio calculations, that sulfur vacancies give rise to a novel near-infrared emission peak around 0.75 eV in exfoliated MoS2 flakes. In addition, we demonstrate an excess of sulfur vacancies at the flake's edges by means of cathodoluminescence mapping, aberration-corrected transmission electron microscopy imaging and electron energy loss analyses. Moreover, we show that ripplocations, extended line defects peculiar to this material, broaden and redshift the MoS2 indirect bandgap emission.

Guiding electrical current in nanotube circuits using structural defects: a step forward in nanoelectronics.

PubMed

Romo-Herrera, Jose M; Terrones, Mauricio; Terrones, Humberto; Meunier, Vincent

2008-12-23

Electrical current could be efficiently guided in 2D nanotube networks by introducing specific topological defects within the periodic framework. Using semiempirical transport calculations coupled with Landauer-Buttiker formalism of quantum transport in multiterminal nanoscale systems, we provide a detailed analysis of the processes governing the atomic-scale design of nanotube circuits. We found that when defects are introduced as patches in specific sites, they act as bouncing centers that reinject electrons along specific paths, via a wave reflection process. This type of defects can be incorporated while preserving the 3-fold connectivity of each carbon atom embedded within the graphitic lattice. Our findings open up a new way to explore bottom-up design, at the nanometer scale, of complex nanotube circuits which could be extended to 3D nanosystems and applied in the fabrication of nanoelectronic devices.

Two Stage Repair of Composite Craniofacial Defects with Antibiotic Releasing Porous Poly(methyl methacrylate) Space Maintainers and Bone Regeneration

NASA Astrophysics Data System (ADS)

Spicer, Patrick

Craniofacial defects resulting from trauma and resection present many challenges to reconstruction due to the complex structure, combinations of tissues, and environment, with exposure to the oral, skin and nasal mucosal pathogens. Tissue engineering seeks to regenerate the tissues lost in these defects; however, the composite nature and proximity to colonizing bacteria remain difficult to overcome. Additionally, many tissue engineering approaches have further hurdles to overcome in the regulatory process to clinical translation. As such these studies investigated a two stage strategy employing an antibiotic-releasing porous polymethylmethacrylate space maintainer fabricated with materials currently part of products approved or cleared by the United States Food and Drug Administration, expediting the translation to the clinic. This porous space maintainer holds the bone defect open allowing soft tissue to heal around the defect. The space maintainer can then be removed and one regenerated in the defect. These studies investigated the individual components of this strategy. The porous space maintainer showed similar soft tissue healing and response to non-porous space maintainers in a rabbit composite tissue defect. The antibiotic-releasing space maintainers showed release of antibiotics from 1-5 weeks, which could be controlled by loading and fabrication parameters. In vivo, space maintainers releasing a high dose of antibiotics for an extended period of time increased soft tissue healing over burst release space maintainers in an infected composite tissue defect model in a rabbit mandible. Finally, stabilization of bone defects and regeneration could be improved through scaffold structures and delivery of a bone forming growth factor. These studies illustrate the possibility of the two stage strategy for repair of composite tissue defects of the craniofacial complex.

Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies

NASA Astrophysics Data System (ADS)

Seo, Hosung; Ma, He; Govoni, Marco; Galli, Giulia

2017-12-01

The development of novel quantum bits is key to extending the scope of solid-state quantum-information science and technology. Using first-principles calculations, we propose that large metal ion-vacancy pairs are promising qubit candidates in two binary crystals: 4 H -SiC and w -AlN. In particular, we found that the formation of neutral Hf- and Zr-vacancy pairs is energetically favorable in both solids; these defects have spin-triplet ground states, with electronic structures similar to those of the diamond nitrogen-vacancy center and the SiC divacancy. Interestingly, they exhibit different spin-strain coupling characteristics, and the nature of heavy metal ions may allow for easy defect implantation in desired lattice locations and ensure stability against defect diffusion. To support future experimental identification of the proposed defects, we report predictions of their optical zero-phonon line, zero-field splitting, and hyperfine parameters. The defect design concept identified here may be generalized to other binary semiconductors to facilitate the exploration of new solid-state qubits.

3D printing and intraoperative neuronavigation tailoring for skull base reconstruction after extended endoscopic endonasal surgery: proof of concept.

PubMed

Essayed, Walid I; Unadkat, Prashin; Hosny, Ahmed; Frisken, Sarah; Rassi, Marcio S; Mukundan, Srinivasan; Weaver, James C; Al-Mefty, Ossama; Golby, Alexandra J; Dunn, Ian F

2018-03-02

OBJECTIVE Endoscopic endonasal approaches are increasingly performed for the surgical treatment of multiple skull base pathologies. Preventing postoperative CSF leaks remains a major challenge, particularly in extended approaches. In this study, the authors assessed the potential use of modern multimaterial 3D printing and neuronavigation to help model these extended defects and develop specifically tailored prostheses for reconstructive purposes. METHODS Extended endoscopic endonasal skull base approaches were performed on 3 human cadaveric heads. Preprocedure and intraprocedure CT scans were completed and were used to segment and design extended and tailored skull base models. Multimaterial models with different core/edge interfaces were 3D printed for implantation trials. A novel application of the intraoperative landmark acquisition method was used to transfer the navigation, helping to tailor the extended models. RESULTS Prostheses were created based on preoperative and intraoperative CT scans. The navigation transfer offered sufficiently accurate data to tailor the preprinted extended skull base defect prostheses. Successful implantation of the skull base prostheses was achieved in all specimens. The progressive flexibility gradient of the models' edges offered the best compromise for easy intranasal maneuverability, anchoring, and structural stability. Prostheses printed based on intraprocedure CT scans were accurate in shape but slightly undersized. CONCLUSIONS Preoperative 3D printing of patient-specific skull base models is achievable for extended endoscopic endonasal surgery. The careful spatial modeling and the use of a flexibility gradient in the design helped achieve the most stable reconstruction. Neuronavigation can help tailor preprinted prostheses.

Mitigating Structural Defects in Droop-Minimizing InGaN/GaN Quantum Well Heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Zhibo; Chesin, Jordan; Singh, Akshay

2016-12-01

Modern commercial InGaN/GaN blue LEDs continue to suffer from efficiency droop, a reduction in efficiency with increasing drive current. External quantum efficiency (EQE) typically peaks at low drive currents (< 10 A cm 2) and drops monotonically at higher current densities, falling to <85% of the peak EQE at a drive current of 100 A cm 2. Mitigating droop-related losses will yield tremendous gains in both luminous efficacy (lumens/W) and cost (lumens/$). Such improvements are critical for continued large-scale market penetration of LED technologies, particularly in high-power and high flux per unit area applications. However, device structures that reduce droopmore » typically require higher indium content and are accompanied by a corresponding degradation in material quality which negates the droop improvement via enhanced Shockley-Read-Hall (SRH) recombination. In this work, we use advanced characterization techniques to identify and classify structural defects in InGaN/GaN quantum well (QW) heterostructures that share features with low-droop designs. Using aberration-corrected scanning transmission electron microscopy (C s-STEM), we find the presence of severe well width fluctuations (WWFs) in a number of low droop device architectures. However, the presence of WWFs does not correlate strongly with external quantum efficiency nor defect densities measured via deep level optical spectroscopy (DLOS). Hence, performance losses in the heterostructures of interest are likely dominated by nanoscale point or interfacial defects rather than large-scale extended defects.« less

Impurity distribution and microstructure of Ga-doped ZnO films grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Kvit, A. V.; Yankovich, A. B.; Avrutin, V.; Liu, H.; Izyumskaya, N.; Özgür, Ü.; Morkoç, H.; Voyles, P. M.

2012-12-01

We report microstructural characterization of heavily Ga-doped ZnO (GZO) thin films on GaN and sapphire by aberration-corrected scanning transmission electron microscopy. Growth under oxygen-rich and metal-rich growth conditions leads to changes in the GZO polarity and different extended defects. For GZO layers on sapphire, the primary extended defects are voids, inversion domain boundaries, and low-angle grain boundaries. Ga doping of ZnO grown under metal-rich conditions causes a switch from pure oxygen polarity to mixed oxygen and zinc polarity in small domains. Electron energy loss spectroscopy and energy dispersive spectroscopy spectrum imaging show that Ga is homogeneous, but other residual impurities tend to accumulate at the GZO surface and at extended defects. GZO grown on GaN on c-plane sapphire has Zn polarity and no voids. There are misfit dislocations at the interfaces between GZO and an undoped ZnO buffer layer and at the buffer/GaN interface. Low-angle grain boundaries are the only threading microstructural defects. The potential effects of different extended defects and impurity distributions on free carrier scattering are discussed.

The Benefits of Using Time-Frequency Analysis with Synthetic Aperture Focusing Technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albright, Austin P; Clayton, Dwight A

2015-01-01

Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results producedmore » using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band s interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m x 2m x 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available.« less

The benefits of using time-frequency analysis with synthetic aperture focusing technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albright, Austin, E-mail: albrightap@ornl.gov, E-mail: claytonda@ornl.gov; Clayton, Dwight, E-mail: albrightap@ornl.gov, E-mail: claytonda@ornl.gov

2015-03-31

Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results producedmore » using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band's interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m × 2m × 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available.« less

The benefits of using time-frequency analysis with synthetic aperture focusing technique

NASA Astrophysics Data System (ADS)

Albright, Austin; Clayton, Dwight

2015-03-01

Improvements in detection and resolution are always desired and needed. There are various instruments available for the inspection of concrete structures that can be used with confidence for detecting different defects. However, more often than not that confidence is heavily dependent on the experience of the operator rather than the clear, objective discernibility of the output of the instrument. The challenge of objective discernment is amplified when the concrete structures contain multiple layers of reinforcement, are of significant thickness, or both, such as concrete structures in nuclear power plants. We seek to improve and extend the usefulness of results produced using the synthetic aperture focusing technique (SAFT) on data collected from thick, complex concrete structures. A secondary goal is to improve existing SAFT results, with regards to repeatedly and objectively identifying defects and/or internal structure of concrete structures. Towards these goals, we are applying the time-frequency technique of wavelet packet decomposition and reconstruction using a mother wavelet that possesses the exact reconstruction property. However, instead of analyzing the coefficients of each decomposition node, we select and reconstruct specific nodes based on the frequency band it contains to produce a frequency band specific time-series representation. SAFT is then applied to these frequency specific reconstructions allowing SAFT to be used to visualize the reflectivity of a frequency band and that band's interaction with the contents of the concrete structure. We apply our technique to data sets collected using a commercial, ultrasonic linear array (MIRA) from two 1.5m × 2m × 25cm concrete test specimens. One specimen contains multiple layers of rebar. The other contains honeycomb, crack, and rebar bonding defect analogs. This approach opens up a multitude of possibilities for improved detection, readability, and overall improved objectivity. We will focus on improved defect/reinforcement isolation in thick and multilayered reinforcement environments. Additionally, the ability to empirically explore the possibility of a frequency-band-defect-type relationship or sensitivity becomes available.

CFD Growth of 3C-SiC on 4H/6H Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Spry, David J.; Powell, J. Anthony; Du, Hui; Skowronski, Marek; Huang, XianRong; Dudley, Michael

2006-01-01

This article describes growth and characterization of the highest quality reproducible 3C-SiC heteroepitaxial films ever reported. By properly nucleating 3C-SiC growth on top of perfectly on-axis (0001) 4H-SiC mesa surfaces completely free of atomic scale steps and extended defects, growth of 3C-SiC mesa heterofilms completely free of extended crystal defects can be achieved. In contrast, nucleation and growth of 3C-SiC mesa heterofilms on top of 4H-SiC mesas with atomic-scale steps always results in numerous observable dislocations threading through the 3C-SiC epilayer. High-resolution X-ray diffraction and transmission electron microscopy measurements indicate non-trivial in-plane lattice mismatch between the 3C and 4H layers. This mismatch is somewhat relieved in the step-free mesa case via misfit dislocations confined to the 3C/4H interfacial region without dislocations threading into the overlying 3C-SiC layer. These results indicate that the presence or absence of steps at the 3C/4H heteroepitaxial interface critically impacts the quality, defect structure, and relaxation mechanisms of single-crystal heteroepitaxial 3C-SiC films.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Pinning of magnetic skyrmions in a monolayer Co film on Pt(111): Theoretical characterization and exemplified utilization

NASA Astrophysics Data System (ADS)

Stosic, Dusan; Ludermir, Teresa B.; Milošević, Milorad V.

2017-12-01

Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and "breathing" of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect "trail." We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.

Chemical Defects, Electronic Structure, and Transport in N-type and P-type Organic Semiconductors: First Principles Theory

DTIC Science & Technology

2012-11-29

of localized states extending into the gap. We also introduced a simple model allowing estimates of the upper limit of the intra-grain mobility in...well as to pentacene , and DATT. This research will be described below. In addition to our work on the electronic structure and charge mobility, we have...stacking distance gives rise to a tail of localized states which act as traps for electrons and holes. We introduced a simple effective Hamiltonian model

Multi-Scale Simulation of Interfacial Phenomena and Nano-Particle Placement in Polymer Matrix Composites

DTIC Science & Technology

2012-08-01

Molecular Dynamics Simulations Coarse-Grain Particle Dynamics Simulations Local structure; Force field parameterization Extended structure...K) C8H18 C12H26 C16H34 Adhesive forces can cause local density gradients and defects " Pronounced layering of polymer near interfaces...reactive end groups (CnH2n+1S) on Cu Gap SubPc on C60 Pentacene on a-SiO2 Cyclopentene on Au Crystalline CuPc on Al Polyimide on Si

AACSD: An atomistic analyzer for crystal structure and defects

NASA Astrophysics Data System (ADS)

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.

Healing X-ray scattering images

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Jiliang; Lhermitte, Julien; Tian, Ye

X-ray scattering images contain numerous gaps and defects arising from detector limitations and experimental configuration. Here, we present a method to heal X-ray scattering images, filling gaps in the data and removing defects in a physically meaningful manner. Unlike generic inpainting methods, this method is closely tuned to the expected structure of reciprocal-space data. In particular, we exploit statistical tests and symmetry analysis to identify the structure of an image; we then copy, average and interpolate measured data into gaps in a way that respects the identified structure and symmetry. Importantly, the underlying analysis methods provide useful characterization of structuresmore » present in the image, including the identification of diffuseversussharp features, anisotropy and symmetry. The presented method leverages known characteristics of reciprocal space, enabling physically reasonable reconstruction even with large image gaps. The method will correspondingly fail for images that violate these underlying assumptions. The method assumes point symmetry and is thus applicable to small-angle X-ray scattering (SAXS) data, but only to a subset of wide-angle data. Our method succeeds in filling gaps and healing defects in experimental images, including extending data beyond the original detector borders.« less

Healing X-ray scattering images

DOE PAGES

Liu, Jiliang; Lhermitte, Julien; Tian, Ye; ...

2017-05-24

X-ray scattering images contain numerous gaps and defects arising from detector limitations and experimental configuration. Here, we present a method to heal X-ray scattering images, filling gaps in the data and removing defects in a physically meaningful manner. Unlike generic inpainting methods, this method is closely tuned to the expected structure of reciprocal-space data. In particular, we exploit statistical tests and symmetry analysis to identify the structure of an image; we then copy, average and interpolate measured data into gaps in a way that respects the identified structure and symmetry. Importantly, the underlying analysis methods provide useful characterization of structuresmore » present in the image, including the identification of diffuseversussharp features, anisotropy and symmetry. The presented method leverages known characteristics of reciprocal space, enabling physically reasonable reconstruction even with large image gaps. The method will correspondingly fail for images that violate these underlying assumptions. The method assumes point symmetry and is thus applicable to small-angle X-ray scattering (SAXS) data, but only to a subset of wide-angle data. Our method succeeds in filling gaps and healing defects in experimental images, including extending data beyond the original detector borders.« less

Entanglement across extended random defects in the XX spin chain

NASA Astrophysics Data System (ADS)

Juhász, Róbert

2017-08-01

We study the half-chain entanglement entropy in the ground state of the spin-1/2 XX chain across an extended random defect, where the strength of disorder decays with the distance from the interface algebraically as Δ_l∼ l-κ . In the whole regime κ≥slant 0 , the average entanglement entropy is found to increase logarithmically with the system size L as S_L≃\\frac{c_eff(κ)}{6}\\ln L+const , where the effective central charge c_eff(κ) depends on κ. In the regime κ<1/2 , where the extended defect is a relevant perturbation, the strong-disorder renormalization group method gives c_eff(κ)=(1-2κ)\\ln2 , while, in the regime κ≥slant 1/2 , where the extended defect is irrelevant in the bulk, numerical results indicate a non-zero effective central charge, which increases with κ. The variation of c_eff(κ) is thus found to be non-monotonic and discontinuous at κ=1/2 .

Impact of strain on electronic defects in (Mg,Zn)O thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidt, Florian, E-mail: fschmidt@physik.uni-leipzig.de; Müller, Stefan; Wenckstern, Holger von

2014-09-14

We have investigated the impact of strain on the incorporation and the properties of extended and point defects in (Mg,Zn)O thin films by means of photoluminescence, X-ray diffraction, deep-level transient spectroscopy (DLTS), and deep-level optical spectroscopy. The recombination line Y₂, previously detected in ZnO thin films grown on an Al-doped ZnO buffer layer and attributed to tensile strain, was exclusively found in (Mg,Zn)O samples being under tensile strain and is absent in relaxed or compressively strained thin films. Furthermore a structural defect E3´ can be detected via DLTS measurements and is only incorporated in tensile strained samples. Finally it ismore » shown that the omnipresent deep-level E3 in ZnO can only be optically recharged in relaxed ZnO samples.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliviero, E.; David, M. L.; Beaufort, M. F.

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

Disclinations, dislocations, and continuous defects: A reappraisal

NASA Astrophysics Data System (ADS)

Kleman, M.; Friedel, J.

2008-01-01

Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

Colossal permittivity behavior and its origin in rutile (Mg1/3Ta2/3)xTi1-xO2.

PubMed

Dong, Wen; Chen, Dehong; Hu, Wanbiao; Frankcombe, Terry J; Chen, Hua; Zhou, Chao; Fu, Zhenxiao; Wei, Xiaoyong; Xu, Zhuo; Liu, Zhifu; Li, Yongxiang; Liu, Yun

2017-08-30

This work investigates the synthesis, chemical composition, defect structures and associated dielectric properties of (Mg 2+ , Ta 5+ ) co-doped rutile TiO 2 polycrystalline ceramics with nominal compositions of (Mg 2+ 1/3 Ta 5+ 2/3 ) x Ti 1-x O 2 . Colossal permittivity (>7000) with a low dielectric loss (e.g. 0.002 at 1 kHz) across a broad frequency/temperature range can be achieved at x = 0.5% after careful optimization of process conditions. Both experimental and theoretical evidence indicates such a colossal permittivity and low dielectric loss intrinsically originate from the intragrain polarization that links to the electron-pinned [Formula: see text] defect clusters with a specific configuration, different from the defect cluster form previously reported in tri-/pent-valent ion co-doped rutile TiO 2 . This work extends the research on colossal permittivity and defect formation to bi-/penta-valent ion co-doped rutile TiO 2 and elucidates a likely defect cluster model for this system. We therefore believe these results will benefit further development of colossal permittivity materials and advance the understanding of defect chemistry in solids.

A defect in the thymidine kinase 2 gene causing isolated mitochondrial myopathy without mtDNA depletion.

PubMed

Leshinsky-Silver, E; Michelson, M; Cohen, S; Ginsberg, M; Sadeh, M; Barash, V; Lerman-Sagie, T; Lev, D

2008-07-01

Isolated mitochondrial myopathies (IMM) are either due to primary defects in mtDNA, in nuclear genes that control mtDNA abundance and structure such as thymidine kinase 2 (TK2), or due to CoQ deficiency. Defects in the TK2 gene have been found to be associated with mtDNA depletion attributed to a depleted mitochondrial dNTP pool in non-dividing cells. We report an unusual case of IMM, homozygous for the H90N mutation in the TK2 gene but unlike other cases with the same mutation, does not demonstrate mtDNA depletion. The patient's clinical course is relatively mild and a muscle biopsy showed ragged red muscle fibers with a mild decrease in complexes I and an increase in complexes IV and II activities. This report extends the phenotypic expression of TK2 defects and suggests that all patients who present with an IMM even with normal quantities of mtDNA should be screened for TK2 mutations.

Columnar organization of orientation domains in V1

NASA Astrophysics Data System (ADS)

Liedtke, Joscha; Wolf, Fred

In the primary visual cortex (V1) of primates and carnivores, the functional architecture of basic stimulus selectivities appears similar across cortical layers (Hubel & Wiesel, 1962) justifying the use of two-dimensional cortical models and disregarding organization in the third dimension. Here we show theoretically that already small deviations from an exact columnar organization lead to non-trivial three-dimensional functional structures. We extend two-dimensional random field models (Schnabel et al., 2007) to a three-dimensional cortex by keeping a typical scale in each layer and introducing a correlation length in the third, columnar dimension. We examine in detail the three-dimensional functional architecture for different cortical geometries with different columnar correlation lengths. We find that (i) topological defect lines are generally curved and (ii) for large cortical curvatures closed loops and reconnecting topological defect lines appear. This theory extends the class of random field models by introducing a columnar dimension and provides a systematic statistical assessment of the three-dimensional functional architecture of V1 (see also (Tanaka et al., 2011)).

Determination of the binding energies of the np Rydberg states of H{sub 2}, HD, and D{sub 2} from high-resolution spectroscopic data by multichannel quantum-defect theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprecher, Daniel; Merkt, Frédéric, E-mail: frederic.merkt@phys.chem.ethz.ch; Jungen, Christian

2014-03-14

Multichannel quantum-defect theory (MQDT) is used to calculate the electron binding energies of np Rydberg states of H{sub 2}, HD, and D{sub 2} around n = 60 at an accuracy of better than 0.5 MHz. The theory includes the effects of rovibronic channel interactions and the hyperfine structure, and has been extended to the calculation of the asymmetric hyperfine structure of Rydberg states of a heteronuclear diatomic molecule (HD). Starting values for the eigenquantum-defect parameters of MQDT were extracted from ab initio potential-energy functions for the low-lying p Rydberg states of molecular hydrogen and subsequently refined in a global weighted fitmore » to available experimental data on the singlet and triplet Rydberg states of H{sub 2} and D{sub 2}. The electron binding energies of high-np Rydberg states derived in this work represent important quantities for future determinations of the adiabatic ionization energies of H{sub 2}, HD, and D{sub 2} at sub-MHz accuracy.« less

MCM ring hexamerization is a prerequisite for DNA-binding

DOE PAGES

Froelich, Clifford A.; Nourse, Amanda; Enemark, Eric J.

2015-09-13

The hexameric Minichromosome Maintenance (MCM) protein complex forms a ring that unwinds DNA at the replication fork in eukaryotes and archaea. Our recent crystal structure of an archaeal MCM N-terminal domain bound to single-stranded DNA (ssDNA) revealed ssDNA associating across tight subunit interfaces but not at the loose interfaces, indicating that DNA-binding is governed not only by the DNA-binding residues of the subunits (MCM ssDNA-binding motif, MSSB) but also by the relative orientation of the subunits. We now extend these findings to show that DNA-binding by the MCM N-terminal domain of the archaeal organism Pyrococcus furiosus occurs specifically in themore » hexameric oligomeric form. We show that mutants defective for hexamerization are defective in binding ssDNA despite retaining all the residues observed to interact with ssDNA in the crystal structure. One mutation that exhibits severely defective hexamerization and ssDNA-binding is at a conserved phenylalanine that aligns with the mouse Mcm4(Chaos3) mutation associated with chromosomal instability, cancer, and decreased intersubunit association.« less

Topological interface physics in spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Borgh, Magnus; Ruostekoski, Janne

2013-05-01

We present an experimentally viable scheme whereby the physics of coherent interfaces between topologically distinct regions can be studied in an atomic quantum gas. The interface engineering is achieved using the internal spin structures of atoms together with local control over interaction strengths. We consider a coherent interface between polar and ferromagnetic regions of a spin-1 Bose-Einstein condensate and show that defects representing different topologies can connect continuously across the boundary. We show that energy minimization leads to nontrivial interface-crossing defect structures, demonstrating how the method can be used to study stability properties of field-theoretical solitons. We demonstrate, e.g., the formation of a half-quantum vortex arch, an Alice arch, on the interface, exhibiting the topological charge of a point defect. We also demonstrate an energetically stable connection of a coreless vortex to two half-quantum vortices. Our method can be extended to study interface physics in spin-2 and spin-3 BECs with richer phenomenology, or in strongly correlated optical-lattice systems. We acknowledge financial support from the Leverhulme Trust.

Process solutions for reducing PR residue over non-planar wafer

NASA Astrophysics Data System (ADS)

Lin, C. H.; Huang, C. H.; Yang, Elvis; Yang, T. H.; Chen, K. C.; Lu, Chih-Yuan

2011-03-01

SAS (Self-Aligned Source) process has been widely adopted on manufacturing NOR Flash devices. To form the SAS structure, the compromise between small space patterning and sufficiently removing photo resist residue in topographical substrate has been a critical challenge as the device scaling down. In this study, photo simulation, layout optimization, resist processing and tri-layer materials were evaluated to form defect-free and highly extendible SAS structure for NOR Flash devices. Photo simulation suggested more coherent light source allowed the incident light to reach the trench bottom that facilitates the removal of photo resist. Mask bias also benefited the process latitude extension for residue-free SAS printing. In the photo resist processing, both lowering the SB (Soft Bake) and raising PEB (Post-Exposure Bake) temperature of photo resist were helpful to broaden the process window but the final pattern profile was not good enough. Thermal flow for pos-exposure pattern shrinkage achieved small CD (Critical Dimension) patterning with residue-free, however the materials loading effect is another issue to be addressed at memory array boundary. Tri-layer scheme demonstrated good results in terms of free from residue, better substrate reflectivity control, enabling smaller space printing to loosen overlay specification and minimizing the poly gate clipping defect. It was finally proposed to combine with etch effort to from the SAS structure. Besides it is also promising to extend to even smaller technology nodes.

Polaronic deformation at the Fe2+/3 + impurity site in Fe:LiNbO3 crystals

NASA Astrophysics Data System (ADS)

Sanson, A.; Zaltron, A.; Argiolas, N.; Sada, C.; Bazzan, M.; Schmidt, W. G.; Sanna, S.

2015-03-01

Iron doped LiNbO3 crystals with different iron valence states are investigated. An extended x-ray absorption fine structure (EXAFS) spectroscopy study highlights evident changes in the local structure around iron that can be ascribed to the presence of small polarons. In particular, when a Fe3+ replaced a Li ion, the oxygen octahedron shrinked with respect to the pure material, with an average iron-oxygen bond value very similar to that of Fe2O3 hematite. When adding an electron, it localizes at the Fe site in a configuration very close to the atomic Fe d orbitals, inducing a relaxation of the oxygen cage. The same system was modelled by spin-polarized density functional theory (DFT). Several local as well as hybrid exchange-correlation functionals were probed on the bulk LiNbO3 structural properties. The computation is then extended to the case of hematite and finally to the Fe defect in LiNbO3. The calculations reproduced with good accuracy the large lattice relaxation of the oxygen ligands associated to the electronic capture at the Fe center that can be interpreted as due to the polaron formation. The calculations reproduce satisfactorily the available EXAFS data, and allow for the estimation of the polaron energies and the optical properties of the defect.

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Zaunbrecher, Katherine N.; Kuciauskas, Darius; Swartz, Craig H.; Dippo, Pat; Edirisooriya, Madhavie; Ogedengbe, Olanrewaju S.; Sohal, Sandeep; Hancock, Bobby L.; LeBlanc, Elizabeth G.; Jayathilaka, Pathiraja A. R. D.; Barnes, Teresa M.; Myers, Thomas H.

2016-08-01

Heterostructures with CdTe and CdTe1-xSex (x ˜ 0.01) absorbers between two wider-band-gap Cd1-xMgxTe barriers (x ˜ 0.25-0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ˜6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaunbrecher, Katherine N.; Kuciauskas, Darius; Swartz, Craig H.

Heterostructures with CdTe and CdTe 1-xSex (x ~ 0.01) absorbers between two wider-band-gap Cd1-xMgxTe barriers (x ~ 0.25-0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects havemore » a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ~6 um, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 us with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 us.« less

3D lattice distortions and defect structures in ion-implanted nano-crystals

PubMed Central

Hofmann, Felix; Tarleton, Edmund; Harder, Ross J.; Phillips, Nicholas W.; Ma, Pui-Wai; Clark, Jesse N.; Robinson, Ian K.; Abbey, Brian; Liu, Wenjun; Beck, Christian E.

2017-01-01

Focussed Ion Beam (FIB) milling is a mainstay of nano-scale machining. By manipulating a tightly focussed beam of energetic ions, often gallium (Ga+), FIB can sculpt nanostructures via localised sputtering. This ability to cut solid matter on the nano-scale revolutionised sample preparation across the life, earth and materials sciences. Despite its widespread usage, detailed understanding of the FIB-induced structural damage, intrinsic to the technique, remains elusive. Here we examine the defects caused by FIB in initially pristine objects. Using Bragg Coherent X-ray Diffraction Imaging (BCDI), we are able to spatially-resolve the full lattice strain tensor in FIB-milled gold nano-crystals. We find that every use of FIB causes large lattice distortions. Even very low ion doses, typical of FIB imaging and previously thought negligible, have a dramatic effect. Our results are consistent with a damage microstructure dominated by vacancies, highlighting the importance of free-surfaces in determining which defects are retained. At larger ion fluences, used during FIB-milling, we observe an extended dislocation network that causes stresses far beyond the bulk tensile strength of gold. These observations provide new fundamental insight into the nature of the damage created and the defects that lead to a surprisingly inhomogeneous morphology. PMID:28383028

3D lattice distortions and defect structures in ion-implanted nano-crystals.

PubMed

Hofmann, Felix; Tarleton, Edmund; Harder, Ross J; Phillips, Nicholas W; Ma, Pui-Wai; Clark, Jesse N; Robinson, Ian K; Abbey, Brian; Liu, Wenjun; Beck, Christian E

2017-04-06

Focussed Ion Beam (FIB) milling is a mainstay of nano-scale machining. By manipulating a tightly focussed beam of energetic ions, often gallium (Ga + ), FIB can sculpt nanostructures via localised sputtering. This ability to cut solid matter on the nano-scale revolutionised sample preparation across the life, earth and materials sciences. Despite its widespread usage, detailed understanding of the FIB-induced structural damage, intrinsic to the technique, remains elusive. Here we examine the defects caused by FIB in initially pristine objects. Using Bragg Coherent X-ray Diffraction Imaging (BCDI), we are able to spatially-resolve the full lattice strain tensor in FIB-milled gold nano-crystals. We find that every use of FIB causes large lattice distortions. Even very low ion doses, typical of FIB imaging and previously thought negligible, have a dramatic effect. Our results are consistent with a damage microstructure dominated by vacancies, highlighting the importance of free-surfaces in determining which defects are retained. At larger ion fluences, used during FIB-milling, we observe an extended dislocation network that causes stresses far beyond the bulk tensile strength of gold. These observations provide new fundamental insight into the nature of the damage created and the defects that lead to a surprisingly inhomogeneous morphology.

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

NASA Astrophysics Data System (ADS)

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.

Healable supramolecular polymers as organic metals.

PubMed

Armao, Joseph J; Maaloum, Mounir; Ellis, Thomas; Fuks, Gad; Rawiso, Michel; Moulin, Emilie; Giuseppone, Nicolas

2014-08-13

Organic materials exhibiting metallic behavior are promising for numerous applications ranging from printed nanocircuits to large area electronics. However, the optimization of electronic conduction in organic metals such as charge-transfer salts or doped conjugated polymers requires high crystallinity, which is detrimental to their processability. To overcome this problem, the combination of the electronic properties of metal-like materials with the mechanical properties of soft self-assembled systems is attractive but necessitates the absence of structural defects in a regular lattice. Here we describe a one-dimensional supramolecular polymer in which photoinduced through-space charge-transfer complexes lead to highly coherent domains with delocalized electronic states displaying metallic behavior. We also reveal that diffusion of supramolecular polarons in the nanowires repairs structural defects thereby improving their conduction. The ability to access metallic properties from mendable self-assemblies extends the current understanding of both fields and opens a wide range of processing techniques for applications in organic electronics.

Growth behavior of carbon nanotubes on multilayered metal catalyst film (Al/Fe/Mo) in chemical vapor deposition

NASA Astrophysics Data System (ADS)

Cui, H.; Eres, G.; Howe, J. Y.; Puretzky, A.; Varela, M.; Geohegan, D. B.; Lowndes, D. H.

2003-03-01

The temperature- and time- dependences of carbon nanotube (CNT) growth by chemical vapor deposition are studied using a multilayered Al/Fe/Mo catalyst on silicon substrates. Within the 600 - 1100 ^oC temperature range in these studies, narrower temperature ranges were determined for the growth of aligned multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes (SWCNTs). Aligned MWCNT growth is favored at lower temperatures ( ˜700 ^oC). At 900 ^oC, in contrast to earlier work, double-walled carbon nanotubes (DWCNTs) are found more abundant than SWCNTs. At further elevated temperature, highly defective carbon structures are produced. Defects also are found to accumulate faster than the ordered graphitic structure if the growth of CNTs is extended to long growth durations. Atomic force microscopy, field emission scanning electron microscopy, high resolution transmission electron microscopy, and Raman spectroscopy are used to characterize the catalyst and various types of CNTs.

Dark matter reflection of particle symmetry

NASA Astrophysics Data System (ADS)

Khlopov, Maxim Yu.

2017-05-01

In the context of the relationship between physics of cosmological dark matter and symmetry of elementary particles, a wide list of dark matter candidates is possible. New symmetries provide stability of different new particles and their combination can lead to a multicomponent dark matter. The pattern of symmetry breaking involves phase transitions in the very early Universe, extending the list of candidates by topological defects and even primordial nonlinear structures.

Ferromagnetic Mn-Implanted GaP: Microstructures vs Magnetic Properties.

PubMed

Yuan, Ye; Hübner, René; Liu, Fang; Sawicki, Maciej; Gordan, Ovidiu; Salvan, G; Zahn, D R T; Banerjee, D; Baehtz, Carsten; Helm, Manfred; Zhou, Shengqiang

2016-02-17

Ferromagnetic GaMnP layers were prepared by ion implantation and pulsed laser annealing (PLA). We present a systematic investigation on the evolution of microstructure and magnetic properties depending on the pulsed laser annealing energy. The sample microstructure was analyzed by high-resolution X-ray diffraction (HR-XRD), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), ultraviolet Raman spectroscopy (UV-RS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. The presence of X-ray Pendellösung fringes around GaP (004) and RBS channeling prove the epitaxial structure of the GaMnP layer annealed at the optimized laser energy density (0.40 J/cm(2)). However, a forbidden TO vibrational mode of GaP appears and increases with annealing energy, suggesting the formation of defective domains inside the layer. These domains mainly appear in the sample surface region and extend to almost the whole layer with increasing annealing energy. The reduction of the Curie temperature (TC) and of the uniaxial magnetic anisotropy gradually happens when more defects and the domains appear as increasing the annealing energy density. This fact univocally points to the decisive role of the PLA parameters on the resulting magnetic characteristics in the processed layers, which eventually determine the magnetic (or spintronics) figure of merit.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Coupling of atom-by-atom calculations of extended defects with B kick-out equations: application to the simulation of boron ted

NASA Astrophysics Data System (ADS)

Lampin, E.; Cristiano, F.; Lamrani, Y.; Colombeau, B.

2004-02-01

We present simulations of B TED based on a complete calculation of the extended defect growth/shrinkage during annealing. The Si self-interstitial supersaturation calculated at the extended defect depth is coupled to the set of equations for the B kick-out diffusion through a generation/recombination term in the diffusion equation of the Si self-interstitials. The simulations are compared to the measurements performed on a Si wafer containing several B marker layers, where the amount of TED varies from one peak to the other. The good agreement obtained on this experiment is very promising for the application of these calculations to the case of ultra-shallow B + implants.

Mapping Ionic Currents and Reactivity on the Nanoscale: Electrochemical Strain Microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalinin, S.V.

2010-10-19

Solid-state electrochemical processes in oxides underpin a broad spectrum of energy and information storage devices, ranging from Li-ion and Li-air batteries, to solid oxide fuel cells (SOFC) to electroresistive and memristive systems. These functionalities are controlled by the bias-driven diffusive and electromigration transport of mobile ionic species, as well as intricate a set of electrochemical and defect-controlled reactions at interfaces and in bulk. Despite the wealth of device-level and atomistic studies, little is known on the mesoscopic mechanisms of ion diffusion and electronic transport on the level of grain clusters, individual grains, and extended defects. The development of the capabilitymore » for probing ion transport on the nanometer scale is a key to deciphering complex interplay between structure, functionality, and performance in these systems. Here we introduce Electrochemical Strain Microscopy, a scanning probe microscopy technique based on strong strain-bias coupling in the systems in which local ion concentrations are changed by electrical fields. The imaging capability, as well as time- and voltage spectroscopies analogous to traditional current based electrochemical characterization methods are developed. The reversible intercalation of Li and mapping electrochemical activity in LiCoO2 is demonstrated, illustrating higher Li diffusivity at non-basal planes and grain boundaries. In Si-anode device structure, the direct mapping of Li diffusion at extended defects and evolution of Li-activity with charge state is explored. The electrical field-dependence of Li mobility is studied to determine the critical bias required for the onset of electrochemical transformation, allowing reaction and diffusion processes in the battery system to be separated at each location. Finally, the applicability of ESM for probing oxygen vacancy diffusion and oxygen reduction/evolution reactions is illustrated, and the high resolution ESM maps are correlated with aberration corrected scanning transmission electron microscopy imaging. The future potential for deciphering mechanisms of electrochemical transformations on an atomically-defined single-defect level is discussed.« less

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaunbrecher, Katherine N.; National Renewable Energy Laboratory, Golden, Colorado 80401; Kuciauskas, Darius

Heterostructures with CdTe and CdTe{sub 1-x}Se{sub x} (x ∼ 0.01) absorbers between two wider-band-gap Cd{sub 1-x}Mg{sub x}Te barriers (x ∼ 0.25–0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have amore » zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ∼6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.« less

Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.

1999-01-01

Commercial epilayers are known to contain a variety of crystallographic imperfections. including micropipes, closed core screw dislocations. low-angle boundaries, basal plane dislocations, heteropolytypic inclusions, and non-ideal surface features like step bunching and pits. This paper reviews the limited present understanding of the operational impact of various crystal defects on SiC electrical devices. Aside from micropipes and triangular inclusions whose densities have been shrinking towards manageably small values in recent years, many of these defects appear to have little adverse operational and/or yield impact on SiC-based sensors, high-frequency RF, and signal conditioning electronics. However high-power switching devices used in power management and distribution circuits have historically (in silicon experience) demanded the highest material quality for prolonged safe operation, and are thus more susceptible to operational reliability problems that arise from electrical property nonuniformities likely to occur at extended crystal defects. A particular emphasis is placed on the impact of closed-core screw dislocations on high-power switching devices, because these difficult to observe defects are present in densities of thousands per cm,in commercial SiC epilayers. and their reduction to acceptable levels seems the most problematic at the present time.

Extended defects and hydrogen interactions in ion implanted silicon

NASA Astrophysics Data System (ADS)

Rangan, Sanjay

The structural and electrical properties of extended defects generated because of ion implantation and the interaction of hydrogen with these defects have been studied in this work. Two distinct themes have been studied, the first where defects are a detrimental and the second where they are useful. In the first scenario, transient enhanced diffusion of boron has been studied and correlated with defect evolution studies due to silicon and argon ion implants. Spreading resistance profiles (SRP) correlated with deep level transient spectroscopy (DLTS) measurements, reveal that a low anneal temperatures (<650°C) defect dissolution and defect injection dominates, resulting in increased junction depths. At higher anneal temperatures, however, repair dominates over defect injection resulting in shallower junctions. Hydrogenation experiments shows that hydrogen enhances dopant activation and reduces TED at low anneal temperatures (<550°C). At anneal temperatures >550°C, the effect of hydrogen is lost, due to its out-diffusion. Moreover, due to catastrophic out-diffusion of hydrogen, additional damage is created resulting in deeper junctions in hydrogenated samples, compared to the non-hydrogenated ones. Comparing defect evolution due to Si and Ar ion implants at different anneal temperatures, while the type of defects is the same in the two cases, their (defect) dissolution occurs at lower anneal temperatures (˜850°C) for Si implants. Dissolution for Ar implants seems to occur at higher anneal temperatures. The difference has been attributed to the increased number of vacancies created by Ar to that of silicon implant. In second aspect, nano-cavity formation due to vacancy agglomeration has been studied by helium ion implantation and furnace anneal, where the effect of He dose, implant energy and anneal time have been processing parameters that have been varied. Cavities are formed only when the localized concentration of He is greater than 3 x 1020 cm-3. While at high implant doses, a continuous cavity layer is formed, at low implant doses a discontinuous layer is observed. The formation of cavities at low doses has been observed for the first time. Variation of anneal times reveal that cavities are initially facetted (for short anneal times) and tend to become spherical when annealed for along time (300min). Also presented is the recipe for formation of multiple cavity layers and the electrical and optical properties of these cavities. Electrically, these cavities are metastable, with two strong minority carrier peaks formed by multiple defect levels. Photoluminescence measurements reveal a strong 0.8eV photon peak.

Investigation of point and extended defects in electron irradiated silicon—Dependence on the particle energy

NASA Astrophysics Data System (ADS)

Radu, R.; Pintilie, I.; Nistor, L. C.; Fretwurst, E.; Lindstroem, G.; Makarenko, L. F.

2015-04-01

This work is focusing on generation, time evolution, and impact on the electrical performance of silicon diodes impaired by radiation induced active defects. n-type silicon diodes had been irradiated with electrons ranging from 1.5 MeV to 27 MeV. It is shown that the formation of small clusters starts already after irradiation with high fluence of 1.5 MeV electrons. An increase of the introduction rates of both point defects and small clusters with increasing energy is seen, showing saturation for electron energies above ˜15 MeV. The changes in the leakage current at low irradiation fluence-values proved to be determined by the change in the configuration of the tri-vacancy (V3). Similar to V3, other cluster related defects are showing bistability indicating that they might be associated with larger vacancy clusters. The change of the space charge density with irradiation and with annealing time after irradiation is fully described by accounting for the radiation induced trapping centers. High resolution electron microscopy investigations correlated with the annealing experiments revealed changes in the spatial structure of the defects. Furthermore, it is shown that while the generation of point defects is well described by the classical Non Ionizing Energy Loss (NIEL), the formation of small defect clusters is better described by the "effective NIEL" using results from molecular dynamics simulations.

Atomic Force Microscope Observation of Growth and Defects on As-Grown (111) 3C-SiC Mesa Surfaces

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Powell, J. Anthony

2004-01-01

This paper presents experimental atomic force microscope (AFM) observations of the surface morphology of as-grown (111) silicon-face 3C-SiC mesa heterofilms. Wide variations in 3C surface step structure are observed as a function of film growth conditions and film defect content. The vast majority of as-grown 3C-SiC surfaces consisted of trains of single bilayer height (0.25 nm) steps. Macrostep formation (i.e., step-bunching) was rarely observed, and then only on mesa heterofilms with extended crystal defects. As supersaturation is lowered by decreasing precursor concentration, terrace nucleation on the top (111) surface becomes suppressed, sometimes enabling the formation of thin 3C-SiC film surfaces completely free of steps. For thicker films, propagation of steps inward from mesa edges is sometimes observed, suggesting that enlarging 3C mesa sidewall facets begin to play an increasingly important role in film growth. The AFM observation of stacking faults (SF's) and 0.25 nm Burgers vector screw component growth spirals on the as-grown surface of defective 3C films is reported.

Advanced EUV mask and imaging modeling

NASA Astrophysics Data System (ADS)

Evanschitzky, Peter; Erdmann, Andreas

2017-10-01

The exploration and optimization of image formation in partially coherent EUV projection systems with complex source shapes requires flexible, accurate, and efficient simulation models. This paper reviews advanced mask diffraction and imaging models for the highly accurate and fast simulation of EUV lithography systems, addressing important aspects of the current technical developments. The simulation of light diffraction from the mask employs an extended rigorous coupled wave analysis (RCWA) approach, which is optimized for EUV applications. In order to be able to deal with current EUV simulation requirements, several additional models are included in the extended RCWA approach: a field decomposition and a field stitching technique enable the simulation of larger complex structured mask areas. An EUV multilayer defect model including a database approach makes the fast and fully rigorous defect simulation and defect repair simulation possible. A hybrid mask simulation approach combining real and ideal mask parts allows the detailed investigation of the origin of different mask 3-D effects. The image computation is done with a fully vectorial Abbe-based approach. Arbitrary illumination and polarization schemes and adapted rigorous mask simulations guarantee a high accuracy. A fully vectorial sampling-free description of the pupil with Zernikes and Jones pupils and an optimized representation of the diffraction spectrum enable the computation of high-resolution images with high accuracy and short simulation times. A new pellicle model supports the simulation of arbitrary membrane stacks, pellicle distortions, and particles/defects on top of the pellicle. Finally, an extension for highly accurate anamorphic imaging simulations is included. The application of the models is demonstrated by typical use cases.

The Development of Spectroscopic Techniques to Study Defects in Thin Film Silicon-Dioxide

NASA Astrophysics Data System (ADS)

Zvanut, Mary Ellen

This dissertation research concerns the study of defects in thin film sputtered SiO_2 which is used as an optical coating material. The capacitance-voltage and current-voltage techniques typically used in microelectronics investigations were used to examine the concentration, location, and kinetics of charge in an aluminum-sputtered oxide-native oxide-silicon capacitor. The response of the capacitor to low field bias stress reveals a hysteretic trapping behavior similar to that observed in microelectronic grade oxide films. In an effort to understand this phenomenon, a band-to-trap tunneling model was developed based on the assumption that the defect involved exhibits a delta function spatial distribution and an extended energy distribution. The central feature of this model, defect relaxation, provides a physical explanation for the hysteretic trapping behavior. Analysis yields that the trap is located spatially within 2 nm of the Si/SiO _2 interface and energetically less than 5 eV from the SiO_2 conduction band edge. The relaxation energy associated with the capture of an electron at the trap is 0.1-2.2 eV. Correlation of the electrical measurements executed for this investigation with electron paramagnetic resonance (EPR) data obtained by Dr. P. Caplan provides structural information about the defect involved with the hysteretic trapping phenomenon. EPR results obtained before and after subjecting an oxide-silicon structure to corona discharge suggest that the trapping center is an E^ ' defect. The technique of band-to-trap tunneling spectroscopy combined with the EPR experiments provides the first reported trap depth associated with the capture of a hole at an E^' center located near the silicon surface of an oxide/silicon system.

Imaging charge carriers in potential-induced degradation defects of c-Si solar cells by scanning capacitance microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, C. -S.; Xiao, C.; Moutinho, H. R.

We report on nm-resolution imaging of charge-carrier distribution around local potential-induced degradation (PID) shunting defects using scanning capacitance microscopy. We imaged on cross sections of heavily field-degraded module areas, cored out and selected by mm-scale photoluminescence imaging. We found localized areas with abnormal carrier behavior induced by the PID defects: the apparent n-type carrier extends vertically into the absorber to ~1-2 um from the cell surface, and laterally in similar lengths; in defect-free areas, the n-type carrier extends ~0.5 um, which is consistent with the junction depth. For comparison, we also investigated areas of the same module exhibiting the leastmore » PID stress, and we found no such heavily damaged junction area. Instead, we found slightly abnormal carrier behavior, where the carrier-type inversion in the absorber did not occur, but the p-type carrier concentration changed slightly in a much smaller lateral length of ~300 nm. These nano-electrical findings may indicate a possible mechanism that the existing extended defects, which may not be significantly harmful to cell performance, can be changed by PID to heavily damaged junction areas.« less

Imaging charge carriers in potential-induced degradation defects of c-Si solar cells by scanning capacitance microscopy

DOE PAGES

Jiang, C. -S.; Xiao, C.; Moutinho, H. R.; ...

2018-02-13

We report on nm-resolution imaging of charge-carrier distribution around local potential-induced degradation (PID) shunting defects using scanning capacitance microscopy. We imaged on cross sections of heavily field-degraded module areas, cored out and selected by mm-scale photoluminescence imaging. We found localized areas with abnormal carrier behavior induced by the PID defects: the apparent n-type carrier extends vertically into the absorber to ~1-2 um from the cell surface, and laterally in similar lengths; in defect-free areas, the n-type carrier extends ~0.5 um, which is consistent with the junction depth. For comparison, we also investigated areas of the same module exhibiting the leastmore » PID stress, and we found no such heavily damaged junction area. Instead, we found slightly abnormal carrier behavior, where the carrier-type inversion in the absorber did not occur, but the p-type carrier concentration changed slightly in a much smaller lateral length of ~300 nm. These nano-electrical findings may indicate a possible mechanism that the existing extended defects, which may not be significantly harmful to cell performance, can be changed by PID to heavily damaged junction areas.« less

Localization of carbon atoms and extended defects in silicon implanted separately with C+ and B+ ions and jointly with C+ and B+ ions

NASA Astrophysics Data System (ADS)

Jadan, M.; Chelyadinskii, A. R.; Odzhaev, V. B.

2013-02-01

The possibility to control the localization of implanted carbon in sites and interstices in silicon immediately during the implantation has been demonstrated. The formation of residual extended defects in silicon implanted separately with C+ and B+ ions and jointly with C+ and B+ ions has been shown. It has been found that the formation of residual defects can be suppressed due to annihilation of point defects at C atoms (the Watkins effect). The positive effect is attained if implanted carbon is localized over lattice sites, which is provided by its implantation with the effective current density of the scanning ion beam no lower than 1.0 μA cm-2.

Electronic properties of defects in silicon and related materials

NASA Astrophysics Data System (ADS)

Mitromara, Niki

Efforts in the current semiconductor industry are focused on the production of smaller, more efficient and inexpensive devices of higher packing density. As silicon is the dominant semiconductor implemented for the fabrication of the majority of semiconductor devices, perpetual research has focused on the improvement of its properties and the realisation of the most efficient structures. This thesis presents the electrical characterisation of two different diode structures that are important for the present and future generations of electronic devices.The first part of the thesis is focused on the electrical characterisation of Ultra-Shallow Junction (USJs) Si diodes. Both p+n and n+p USJ structures that contained different implants were examined. These were very highly doped and intended to simulate the situation where a doping well is formed after heavy doping in Si for the fabrication of transistors currently used in Complementary-Metal-Oxide-Semiconductor (CMOS) technology. The implanted USJ diodes were provided by NXP, Belgium and contact deposition was performed before their electrical characterisation as part of this project. Subsequently the p+n and n+p USJ diodes were characterised by the use of Capacitance-Voltage (CV), Current-Voltage (IV), Deep Level Transient Spectroscopy (DLTS) and high resolution Laplace DLTS (LDLTS). DLTS and LDLTS are very powerful spectroscopic techniques for the profiling of defects in the bandgap of a semiconductor as well as for the identification of the electrical signatures of these defects. Transient-Enhanced Diffusion (TED) related defects were detected in these diodes as the presence of mainly carbon-related interstitial complexes was observed. In addition, certain vacancy or vacancy-dopant related levels were also discerned.The second part of this thesis presents the electrical characterisation from Schottky p-diamond/p-Si and p-diamond/n-Si p-n diodes. These diodes were readily provided, grown by the Chemical Vapour Deposition (CVD) technique, for the electrical characterisation that was performed as part of this project. The purpose of characterising both Schottky and p-n diamond on Si diodes was to detect defects near the surface of the films and near the interface with Si and hence provide a comparison between defects present at the beginning and end of growth. More defects were found near the interface with Si and the majority of observed defects were related to extended defects while the presence of grain boundaries in polycrystalline diamond was discussed.

Morphology control, defect engineering and photoactivity tuning of ZnO crystals by graphene oxide--a unique 2D macromolecular surfactant.

PubMed

Pan, Xiaoyang; Yang, Min-Quan; Xu, Yi-Jun

2014-03-28

Zinc oxide (ZnO) nanostructured materials have received significant attention because of their unique physicochemical and electronic properties. In particular, the functional properties of ZnO are strongly dependent on its morphology and defect structure, particularly for a semiconductor ZnO-based photocatalyst. Here, we demonstrate a simple strategy for simultaneous morphology control, defect engineering and photoactivity tuning of semiconductor ZnO by utilizing the unique surfactant properties of graphene oxide (GO) in a liquid phase. By varying the amount of GO added during the synthesis process, the morphology of ZnO gradually evolves from a one dimensional prismatic rod to a hexagonal tube-like architecture while GO is converted into reduced GO (RGO). In addition, the introduction of GO can create oxygen vacancies in the lattice of ZnO crystals. As a result, the absorption edge of the wide band gap semiconductor ZnO is effectively extended to the visible light region, which thus endows the RGO-ZnO nanocomposites with visible light photoactivity; in contrast, the bare ZnO nanorod is only UV light photoactive. The synergistic integration of the unique morphology and the presence of oxygen vacancies imparts the RGO-ZnO nanocomposite with remarkably enhanced visible light photoactivity as compared to bare ZnO and its counterpart featuring different structural morphologies and the absence of oxygen vacancies. Our promising results highlight the versatility of the 2D GO as a solution-processable macromolecular surfactant to fabricate RGO-semiconductor nanocomposites with tunable morphology, defect structure and photocatalytic performance in a system-materials-engineering way.

Silicon exfoliation by hydrogen implantation: Actual nature of precursor defects

NASA Astrophysics Data System (ADS)

Kuisseu, Pauline Sylvia Pokam; Pingault, Timothée; Ntsoenzok, Esidor; Regula, Gabrielle; Mazen, Frédéric; Sauldubois, Audrey; Andreazza, Caroline

2017-06-01

MeV energy hydrogen implantation in silicon followed by a thermal annealing is a very smart way to produce high crystalline quality silicon substrates, much thinner than what can be obtained by diamond disk or wire sawing. Using this kerf-less approach, ultra-thin substrates with thicknesses between 15 μm and 100 μm, compatible with microelectronic and photovoltaic applications are reported. But, despite the benefits of this approach, there is still a lack of fundamental studies at this implantation energy range. However, if very few papers have addressed the MeV energy range, a lot of works have been carried out in the keV implantation energy range, which is the one used in the smart-cut® technology. In order to check if the nature and the growth mechanism of extended defects reported in the widely studied keV implantation energy range could be extrapolated in the MeV range, the thermal evolution of extended defects formed after MeV hydrogen implantation in (100) Si was investigated in this study. Samples were implanted at 1 MeV with different fluences ranging from 6 × 1016 H/cm2 to 2 × 1017 H/cm2 and annealed at temperatures up to 873 K. By cross-section transmission electron microscopy, we found that the nature of extended defects in the MeV range is quite different of what is observed in the keV range. In fact, in our implantation conditions, the generated extended defects are some kinds of planar clusters of gas-filled lenses, instead of platelets as commonly reported in the keV energy range. This result underlines that hydrogen behaves differently when it is introduced in silicon at high or low implantation energy. The activation energy of the growth of these extended defects is independent of the chosen fluence and is between (0.5-0.6) eV, which is very close to the activation energy reported for atomic hydrogen diffusion in a perfect silicon crystal.

Spatial structure favors cooperative behavior in the snowdrift game with multiple interactive dynamics

NASA Astrophysics Data System (ADS)

Su, Qi; Li, Aming; Wang, Long

2017-02-01

Spatial reciprocity is generally regarded as a positive rule facilitating the evolution of cooperation. However, a few recent studies show that, in the snowdrift game, spatial structure still could be detrimental to cooperation. Here we propose a model of multiple interactive dynamics, where each individual can cooperate and defect simultaneously against different neighbors. We realize individuals' multiple interactions simply by endowing them with strategies relevant to probabilities, and every one decides to cooperate or defect with a probability. With multiple interactive dynamics, the cooperation level in square lattices is higher than that in the well-mixed case for a wide range of cost-to-benefit ratio r, implying that spatial structure favors cooperative behavior in the snowdrift game. Moreover, in square lattices, the most favorable strategy follows a simple relation of r, which confers theoretically the average evolutionary frequency of cooperative behavior. We further extend our study to various homogeneous and heterogeneous networks, which demonstrates the robustness of our results. Here multiple interactive dynamics stabilizes the positive role of spatial structure on the evolution of cooperation and individuals' distinct reactions to different neighbors can be a new line in understanding the emergence of cooperation.

Localization of Narrowband Single Photon Emitters in Nanodiamonds.

PubMed

Bray, Kerem; Sandstrom, Russell; Elbadawi, Christopher; Fischer, Martin; Schreck, Matthias; Shimoni, Olga; Lobo, Charlene; Toth, Milos; Aharonovich, Igor

2016-03-23

Diamond nanocrystals that host room temperature narrowband single photon emitters are highly sought after for applications in nanophotonics and bioimaging. However, current understanding of the origin of these emitters is extremely limited. In this work, we demonstrate that the narrowband emitters are point defects localized at extended morphological defects in individual nanodiamonds. In particular, we show that nanocrystals with defects such as twin boundaries and secondary nucleation sites exhibit narrowband emission that is absent from pristine individual nanocrystals grown under the same conditions. Critically, we prove that the narrowband emission lines vanish when extended defects are removed deterministically using highly localized electron beam induced etching. Our results enhance the current understanding of single photon emitters in diamond and are directly relevant to fabrication of novel quantum optics devices and sensors.

The use of computational inspection to identify process window limiting hotspots and predict sub-15nm defects with high capture rate

NASA Astrophysics Data System (ADS)

Ham, Boo-Hyun; Kim, Il-Hwan; Park, Sung-Sik; Yeo, Sun-Young; Kim, Sang-Jin; Park, Dong-Woon; Park, Joon-Soo; Ryu, Chang-Hoon; Son, Bo-Kyeong; Hwang, Kyung-Bae; Shin, Jae-Min; Shin, Jangho; Park, Ki-Yeop; Park, Sean; Liu, Lei; Tien, Ming-Chun; Nachtwein, Angelique; Jochemsen, Marinus; Yan, Philip; Hu, Vincent; Jones, Christopher

2017-03-01

As critical dimensions for advanced two dimensional (2D) DUV patterning continue to shrink, the exact process window becomes increasingly difficult to determine. The defect size criteria shrink with the patterning critical dimensions and are well below the resolution of current optical inspection tools. As a result, it is more challenging for traditional bright field inspection tools to accurately discover the hotspots that define the process window. In this study, we use a novel computational inspection method to identify the depth-of-focus limiting features of a 10 nm node mask with 2D metal structures (single exposure) and compare the results to those obtained with a traditional process windows qualification (PWQ) method based on utilizing a focus modulated wafer and bright field inspection (BFI) to detect hotspot defects. The method is extended to litho-etch litho-etch (LELE) on a different test vehicle to show that overlay related bridging hotspots also can be identified.

Unraveling the Semiconducting/Metallic Discrepancy in Ni 3(HITP) 2

DOE PAGES

Foster, Michael E.; Sohlberg, Karl; Allendorf, Mark D.; ...

2018-01-10

Here, Ni 3(2,3,6,7,10,11-hexaiminotriphenylene) 2 is a π-stacked layered metal–organic framework material with extended π-conjugation that is analogous to graphene. Published experimental results indicate that the material is semiconducting, but all theoretical studies to date predict the bulk material to be metallic. Given that previous experimental work was carried out on specimens containing complex nanocrystalline microstructures and the tendency for internal interfaces to introduce transport barriers, we apply DFT to investigate the influence of internal interface defects on the electronic structure of Ni 3(HITP) 2. The results show that interface defects can introduce a transport barrier by breaking the π-conjugation and/ormore » decreasing the dispersion of the electronic bands near the Fermi level. We demonstrate that the presence of defects can open a small gap, in the range of 15–200 meV, which is consistent with the experimentally inferred hopping barrier.« less

Stress studies in EFG

NASA Technical Reports Server (NTRS)

1983-01-01

Stress distributions were calculated for a creep law to predict a rate of plastic deformation. The expected reduction in stresses is obtained. Improved schemes for calculating growth system temperature distributions were evaluated. Temperature field modeling examined the possibility of using horizontal temperature gradients to influence stress distribution in ribbon. The defect structure of 10 cm wide ribbon grown in the cartridge system was examined. A new feature is identified from an examination of cross sectional micrographs. It consists of high density dislocation bands extending through the ribbon thickness. A four point bending apparatus was constructed for high temperature study of the creep response of silicon, to be used to generate defects for comparison with as grown defects in ribbon. The feasibility of laser interferometric techniques for sheet residual stress distribution measurement is examined. The mathematical formalism for calculating residual stress from changes in surface topology caused by an applied stress in a rectangular specimen was developed, and the system for laser interferometric measurement to obtain surface topology data was tested on CZ silicon.

Application of photonic crystal defects in constructing all-optical switches, optical delay lines and low-cross-talk waveguide intersections for ultrashort optical pulses

NASA Astrophysics Data System (ADS)

Lan, Sheng; Sugimoto, Yoshimasa; Nishikawa, Satoshi; Ikeda, Naoki; Yang, Tao; Kanamoto, Kozyo; Ishikawa, Hiroshi; Asakawa, Kiyoshi

2002-07-01

We present a systematic study of coupled defects in photonic crystals (PCs) and explore their applications in constructing optical components and devices for ultrafast all-optical signal processing. First, we find that very deep band gaps can be generated in the impurity bands of coupled cavity waveguides (CCWs) by a small periodic modulation of defect modes. This phenomenon implies a high-efficiency all-optical switching mechanism. The switching mechanism can be easily extended from one-dimensional (1D) to two-dimensional and three-dimensional PC structures by utilizing the coupling of defect pairs which are generally present in PCs. Second, we suggest that CCWs with quasiflat and narrow impurity bands can be employed as efficient delay lines for ultrashort pulses. Criteria for designing such kind of CCWs have been derived from the analysis of defect coupling and the investigation of pulse transmission through various CCWs. It is found that the availability of quasiflat impurity bands depends not only on the intrinsic properties of the constituting defects but also on the detailed configuration of CCWs. In experiments, optical delay lines based on 1D monorail CCWs have been successfully fabricated and characterized. Finally, we have proposed a new mechanism for constructing waveguide intersections with broad bandwidth and low cross-talk.

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

NASA Astrophysics Data System (ADS)

Popelyukh, AI; Repin, AA; Alekseev, SE

2018-03-01

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

Modeling defect cluster evolution in irradiated structural materials: Focus on comparing to high-resolution experimental characterization studies

DOE PAGES

Wirth, Brian D.; Hu, Xunxiang; Kohnert, Aaron; ...

2015-03-02

Exposure of metallic structural materials to irradiation environments results in significant microstructural evolution, property changes, and performance degradation, which limits the extended operation of current generation light water reactors and restricts the design of advanced fission and fusion reactors. Further, it is well recognized that these irradiation effects are a classic example of inherently multiscale phenomena and that the mix of radiation-induced features formed and the corresponding property degradation depend on a wide range of material and irradiation variables. This inherently multiscale evolution emphasizes the importance of closely integrating models with high-resolution experimental characterization of the evolving radiation-damaged microstructure. Lastly,more » this article provides a review of recent models of the defect microstructure evolution in irradiated body-centered cubic materials, which provide good agreement with experimental measurements, and presents some outstanding challenges, which will require coordinated high-resolution characterization and modeling to resolve.« less

Ion irradiation of electronic-type-separated single wall carbon nanotubes: A model for radiation effects in nanostructured carbon

NASA Astrophysics Data System (ADS)

Rossi, Jamie E.; Cress, Cory D.; Helenic, Alysha R.; Schauerman, Chris M.; DiLeo, Roberta A.; Cox, Nathanael D.; Messenger, Scott R.; Weaver, Brad D.; Hubbard, Seth M.; Landi, Brian J.

2012-08-01

The structural and electrical properties of electronic-type-separated (metallic and semiconducting) single wall carbon nanotube (SWCNT) thin-films have been investigated after irradiation with 150 keV 11B+ and 150 keV 31P+ with fluences ranging from 1012 to 1015 ions/cm2. Raman spectroscopy results indicate that the ratio of the Raman D to G' band peak intensities (D/G') is a more sensitive indicator of SWCNT structural modification induced by ion irradiation by one order of magnitude compared to the ratio of the Raman D to G band peak intensities (D/G). The increase in sheet resistance (Rs) of the thin-films follows a similar trend as the D/G' ratio, suggesting that the radiation induced variation in bulk electrical transport for both electronic-types is equal and related to localized defect generation. The characterization results for the various samples are compared based on the displacement damage dose (DDD) imparted to the sample, which is material and damage source independent. Therefore, it is possible to extend the analysis to include data from irradiation of transferred CVD-graphene films on SiO2/Si substrates using 35 keV C+ ions, and compare the observed changes at equivalent levels of ion irradiation-induced damage to that observed in the SWCNT thin-film samples. Ultimately, a model is developed for the prediction of the radiation response of nanostructured carbon materials based on the DDD for any incident ion with low-energy recoil spectra. The model is also related to the defect concentration, and subsequently the effective defect-to-defect length, and yields a maximum defect concentration (minimum defect-to-defect length) above which the bulk electrical transport properties in SWCNT thin-films and large graphene-based electronic devices rapidly degrade when exposed to harsh environments.

Evaluation of equivalent defect heat generation in carbon epoxy composite under powerful ultrasonic stimulation by using infrared thermography

NASA Astrophysics Data System (ADS)

Derusova, D. A.; Vavilov, V. P.; Pawar, S. S.

2015-04-01

Low velocity impact is a frequently observed event during the operation of an aircraft composite structure. This type of damage is aptly called as “blind-side impact damage” as it is barely visible as a dent on the impacted surface, but may produce extended delaminations closer to the rear surface. One-sided thermal nondestructive testing is considered as a promising technique for detecting impact damage but because of diffusive nature of optical thermal signals there is drop in detectability of deeper subsurface defects. Ultrasonic Infrared thermography is a potentially attractive nondestructive evaluation technique used to detect the defects through observation of vibration-induced heat generation. Evaluation of the energy released by such defects is a challenging task. In this study, the thin delaminations caused by impact damage in composites and which are subjected to ultrasonic excitation are considered as local heat sources. The actual impact damage in a carbon epoxy composite which was detected by applying a magnetostrictive ultrasonic device is then modeled as a pyramid-like defect with a set of delaminations acting as an air-filled heat sources. The temperature rise expected on the surface of the specimen was achieved by varying energy contribution from each delamination through trial and error. Finally, by comparing the experimental temperature elevations in defective area with the results of temperature simulations, we estimated the energy generated by each defect and defect power of impact damage as a whole. The results show good correlation between simulations and measurements, thus validating the simulation approach.

Low-Temperature Single Carbon Nanotube Spectroscopy of sp 3 Quantum Defects

DOE PAGES

He, Xiaowei; Gifford, Brendan J.; Hartmann, Nicolai F.; ...

2017-09-28

Aiming to unravel the relationship between chemical configuration and electronic structure of sp3 defects of aryl-functionalized (6,5) single-walled carbon nanotubes (SWCNTs), we perform low-temperature single nanotube photoluminescence (PL) spectroscopy studies and correlate our observations with quantum chemistry simulations. Here, we observe sharp emission peaks from individual defect sites that are spread over an extremely broad, 1000-1350 nm, spectral range. Our simulations allow us to attribute this spectral diversity to the occurrence of six chemically and energetically distinct defect states resulting from topological variation in the chemical binding configuration of the monovalent aryl groups. Both PL emission efficiency and spectral linemore » width of the defect states are strongly influenced by the local dielectric environment. Wrapping the SWCNT with a polyfluorene polymer provides the best isolation from the environment and yields the brightest emission with near-resolution limited spectral line width of 270 ueV, as well as spectrally resolved emission wings associated with localized acoustic phonons. Pump-dependent studies further revealed that the defect states are capable of emitting single, sharp, isolated PL peaks over 3 orders of magnitude increase in pump power, a key characteristic of two-level systems and an important prerequisite for single-photon emission with high purity. Our findings point to the tremendous potential of sp3 defects in development of room temperature quantum light sources capable of operating at telecommunication wavelengths as the emission of the defect states can readily be extended to this range via use of larger diameter SWCNTs.« less

Low-Temperature Single Carbon Nanotube Spectroscopy of sp 3 Quantum Defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Xiaowei; Gifford, Brendan J.; Hartmann, Nicolai F.

Aiming to unravel the relationship between chemical configuration and electronic structure of sp3 defects of aryl-functionalized (6,5) single-walled carbon nanotubes (SWCNTs), we perform low-temperature single nanotube photoluminescence (PL) spectroscopy studies and correlate our observations with quantum chemistry simulations. Here, we observe sharp emission peaks from individual defect sites that are spread over an extremely broad, 1000-1350 nm, spectral range. Our simulations allow us to attribute this spectral diversity to the occurrence of six chemically and energetically distinct defect states resulting from topological variation in the chemical binding configuration of the monovalent aryl groups. Both PL emission efficiency and spectral linemore » width of the defect states are strongly influenced by the local dielectric environment. Wrapping the SWCNT with a polyfluorene polymer provides the best isolation from the environment and yields the brightest emission with near-resolution limited spectral line width of 270 ueV, as well as spectrally resolved emission wings associated with localized acoustic phonons. Pump-dependent studies further revealed that the defect states are capable of emitting single, sharp, isolated PL peaks over 3 orders of magnitude increase in pump power, a key characteristic of two-level systems and an important prerequisite for single-photon emission with high purity. Our findings point to the tremendous potential of sp3 defects in development of room temperature quantum light sources capable of operating at telecommunication wavelengths as the emission of the defect states can readily be extended to this range via use of larger diameter SWCNTs.« less

Insights into the effect of iron and cobalt doping on the structure of nanosized ZnO.

PubMed

Giuli, Gabriele; Trapananti, Angela; Mueller, Franziska; Bresser, Dominic; d'Acapito, Francesco; Passerini, Stefano

2015-10-05

Here we report an in-depth structural characterization of transition metal-doped zinc oxide nanoparticles that have recently been used as anode materials for Li-ion batteries. Structural refinement of powder X-ray diffraction (XRD) data allowed the determination of small though reproducible changes in the unit cell dimensions of four ZnO samples (wurtzite structure) prepared with different dopants or different synthesis conditions. Moreover, large variations of the full width at half-maximum of the XRD reflections indicate that the crystallinity of the samples decreases in the order ZnO, Zn0.9Co0.1O, Zn0.9Fe0.1O/C, and Zn0.9Fe0.1O (the crystallite sizes as determined by Williamson-Hall plots are 42, 29, 15, and 13 nm, respectively). X-ray absorption spectroscopy data indicate that Co is divalent, whereas Fe is purely trivalent in Zn0.9Fe0.1O and 95% trivalent (Fe(3+)/(Fe(3+) + Fe(2+)) ratio = 0.95) in Zn0.9Fe0.1O/C. The aliovalent substitution of Fe(3+) for Zn(2+) implies the formation of local defects around Fe(3+) such as cationic vacancies or interstitial oxygen for charge balance. The EXAFS (extended X-ray absorption fine structure) data, besides providing local Fe-O and Co-O bond distances, are consistent with a large amount of charge-compensating defects. The Co-doped sample displays similar EXAFS features to those of pure ZnO, suggesting the absence of a large concentration of defects as found in the Fe-doped samples. These results are of substantial importance for understanding and elucidating the modified electrochemical lithiation mechanism by introducing transition metal dopants into the ZnO structure for the application as lithium-ion anode material.

Risk Assessment of Structural Integrity of Transportation Casks after Extended Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibarra, Luis; Medina, Ricardo; Yang, Haori

This study assessed the risk of loss of structural integrity of transportation casks and fuel cladding after extended storage. Although it is known that fuel rods discharged from NPPs have a small percentage of rod cladding defects, the behavior of fuel cladding and the structural elements of assemblies during transportation after long-term storage is not well understood. If the fuel degrades during extended storage, it could be susceptible to damage from vibration and impact loads during transport operations, releasing fission-product gases into the canister or the cask interior (NWTRB 2010). Degradation of cladding may occur due to mechanisms associated withmore » hydrogen embrittlement, delayed hydride cracking, low temperature creep, and stress corrosion cracking (SCC) that may affect fuel cladding and canister components after extended storage of hundreds of years. Over extended periods at low temperatures, these mechanisms affect the ductility, strength, and fracture toughness of the fuel cladding, which becomes brittle. For transportation purposes, the fuel may be transferred from storage to shipping casks, or dual-purpose casks may be used for storage and transportation. Currently, most of the transportation casks will be the former case. A risk assessment evaluation is conducted based on results from experimental tests and simulations with advanced numerical models. A novel contribution of this study is the evaluation of the combined effect of component aging and vibration/impact loads in transportation scenarios. The expected levels of deterioration will be obtained from previous and current studies on the effect of aging on fuel and cask components. The emphasis of the study is placed on the structural integrity of fuel cladding and canisters.« less

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

DOE PAGES

Gruber, J.; Zhou, X. W.; Jones, R. E.; ...

2017-05-15

Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11more » $$\\bar{2}$$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T* m(x) ≤ 0.90], where T* m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$$\\bar{2}$$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.« less

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

NASA Astrophysics Data System (ADS)

Gruber, J.; Zhou, X. W.; Jones, R. E.; Lee, S. R.; Tucker, G. J.

2017-05-01

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ( 11 2 ¯ 0 ) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T*m(x) ≤ 0.90], where T*m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ( 11 2 ¯ 0 ) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces.

PubMed

Gruber, J; Zhou, X W; Jones, R E; Lee, S R; Tucker, G J

2017-05-21

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ([Formula: see text]) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of In x Ga 1-x N-alloy compositions (0 ≤  x  ≤ 0.4) and homologous growth temperatures [0.50 ≤  T/T * m ( x ) ≤ 0.90], where T * m ( x ) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ([Formula: see text]) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Defect engineering of complex semiconductor alloys: Cu2-2xMxO1-yXy

NASA Astrophysics Data System (ADS)

Lany, Stephan; Stevanovic, Vladan

2013-03-01

The electrical properties of semiconductors are generally controlled via doping, i.e., the incorporation of dilute concentrations of aliovalent impurity atoms, whereas the band structure properties (gap, effective masses, optical properties) are manipulated by alloying, i.e., the incorporation of much larger amounts of isovalent elements. Theoretical approaches usually address either doping or alloying, but rarely both problems at the same time. By combining defect supercell calculations, GW quasi-particle energy calculation, and thermodynamic modeling, we study the range of electrical and band structure properties accessible by alloying aliovalent cations (M = Mg, Zn, Cd) and isovalent anions (X = S, Se) in Cu2O. In order to extend dilute defect models to higher concentrations, we take into account the association/dissociation of defect pairs and complexes, as well as the composition dependence of the band gap and the band edge energies. Considering a composition window for the Cu2-2xMxO1-yXy alloys of 0 <= (x,y) <= 0.2, we predict a wide range of possible band gaps from 1.7 to 2.6 eV, and net doping concentrations between p = 1019 cm-3 and n = 1017cm-3, notably achieving type conversion from p- to n-type at Zn or Cd compositions around x = 0.1. This work is supported as part of the SunShot initiative by the U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy under Contract No. DE-AC36-08GO28308 to NREL.

On the mechanism of gas adsorption for pristine, defective and functionalized graphene.

PubMed

You, Y; Deng, J; Tan, X; Gorjizadeh, N; Yoshimura, M; Smith, S C; Sahajwalla, V; Joshi, R K

2017-02-22

Defects are no longer deemed an adverse aspect of graphene. Contrarily, they can pave ways of extending the applicability of graphene. Herein, we discuss the effects of three types of defects in graphene including carbon deficiency, adatom (single Fe) dopants and the introduction of functional groups (carbonyl, ether group) on the NO 2 gas adsorption via density functional theory methods. We have observed that introducing Fe on graphene can enhance the NO 2 adsorption process. Adsorption energy calculations suggest that the enhancement in NO 2 adsorption is more profound for Fe-doped mono- and tetra-vacant graphene than that for Fe doped bi- and tri-vacant graphene, which is favourable for NO 2 gas capture applications. The unsaturated carbons in defected graphene as well as the oxygenated functional groups are very active to attract NO 2 molecules. However, though the gas binding strength was not as high as the that found in the Fe-doped graphene structure, the relatively low NO 2 gas adsorption energy is suitable for the practical gas sensors both for gas sensitivity and the sensor recovery rate factor. This theoretical study can potentially be useful for developing adsorption-based applications of graphene.

Vortex Escape from Columnar Defect in a Current-Loaded Superconductor

NASA Astrophysics Data System (ADS)

Fedirko, V. A.; Kasatkin, A. L.; Polyakov, S. V.

2018-06-01

The problem of Abrikosov vortices depinning from extended linear (columnar) defect in 3D-anisotropic superconductor film under non-uniformly distributed Lorentz force is studied for the case of low temperatures, disregarding thermal activation processes. We treat it as a problem of mechanical behavior of an elastic vortex string settled in a potential well of a linear defect and exerted to Lorentz force action within the screening layer about the London penetration depth near the specimen surface. The stability problem for the vortex pinning state is investigated by means of numerical modeling, and conditions for the instability threshold are obtained as well as the critical current density j_c and its dependence on the film thickness and magnetic field orientation. The instability leading to vortex depinning from extended linear defect first emerges near the surface and then propagates inside the superconductor. This scenario of vortex depinning mechanism at low temperatures is strongly supported by some recent experiments on high-Tc superconductors and other novel superconducting materials, containing columnar defects of various nature.

Barochemistry: Predictive Solid State Chemistry

NASA Astrophysics Data System (ADS)

Yoo, Choong-Shik

The application of compression energy comparable to that of chemical bonds, but substantially greater than those of defects and grain boundaries in solids allows us to pursue novel concepts of high-pressure chemistry (or barochemistry) in materials development by design. At such extreme pressures, simple molecular solids covert into densely packed extended network structures that can be predicted from first principles. In recent years, a significant number of new materials and novel extended structures have been designed and discovered in highly compressed states of the first- and second- row elemental solids, including Li, C, H2,N2, O2, CO, CO2, and H2O. These extended solids are extremely hard, have high energy density, and exhibit novel electronic and nonlinear optical properties that are superior to other known materials at ambient conditions. However, these materials are often formed at formidable pressures and are highly metastable at ambient conditions; only a few systems have been recovered, limiting the materials within a realm of fundamental scientific discoveries. Therefore, an exciting new research area has emerged on the barochemistry to understand and, ultimately, control the stability, bonding, structure, and properties of low Z extended solids. In this paper, we will present our recent research to develop hybrid low Z extended solids amenable to scale up synthesis and ambient stabilization, utilizing kinetically controlled processes in dense solid mixtures and discuss the governing fundamental principles of barochemistry. This work was performed in support of the NSF (DMR-1203834), DTRA (HDTRA1-12-01-0020), and DARPA (W31P4Q-12-1-0009).

On the activation of molecular hydrogen by gold: a theoretical approximation to the nature of potential active sites.

PubMed

Corma, Avelino; Boronat, Mercedes; González, Silvia; Illas, Francesc

2007-08-28

The study of adsorption and dissociation of molecular hydrogen on single crystal Au(111) and Au(001) surfaces, monoatomic rows in an extended line defect and different Au nanoparticles by means of DF calculations allows us to firmly conclude that the necessary and sufficient condition for H2 dissociation is the existence of low coordinated Au atoms, regardless if they are in nanoparticles or at extended line defects.

Extended resection of the trachea in a patient with cicatricial tracheal stenosis after tracheostomy complicated with esophageal-tracheal fistula and extensive defect of the frontal tracheal wall

PubMed Central

Khudaybergenov, Shukhrat; Abdusalomov, Sodiqjon; Amanov, Bakhrom

2017-01-01

We present a case of one-stage radical surgical treatment of a 24-year-old female patient with cicatricial granulating tracheal stenosis after tracheostomy complicated by esophageal-tracheal fistula and an extensive defect of the anterior wall of the trachea after numerous unsuccessful attempts to correct the narrowing of the trachea and eliminate the fistula by endoscopic and open surgical techniques. The patient underwent extended tracheal resection with end-to-end anastomosis with liquidation of the esophageal-tracheal fistula and elimination of the defect of the anterior wall of the trachea by cervical access. PMID:28515752

Extended resection of the trachea in a patient with cicatricial tracheal stenosis after tracheostomy complicated with esophageal-tracheal fistula and extensive defect of the frontal tracheal wall.

PubMed

Khudaybergenov, Shukhrat; Eshonkhodjaev, Otabek; Abdusalomov, Sodiqjon; Amanov, Bakhrom

2017-03-01

We present a case of one-stage radical surgical treatment of a 24-year-old female patient with cicatricial granulating tracheal stenosis after tracheostomy complicated by esophageal-tracheal fistula and an extensive defect of the anterior wall of the trachea after numerous unsuccessful attempts to correct the narrowing of the trachea and eliminate the fistula by endoscopic and open surgical techniques. The patient underwent extended tracheal resection with end-to-end anastomosis with liquidation of the esophageal-tracheal fistula and elimination of the defect of the anterior wall of the trachea by cervical access.

Classifying defects in pallet stringers by ultrasonic scanning

Treesearch

Mohammed F. Kabir; Daniel L. Schmoldt; Philip A. Araman; Mark E. Schafer; Sang-Mook Lee

2003-01-01

Detecting and classifying defects are required to grade and sort pallet parts. Use of quality parts can extend the life cycle of pallets and can reduce long-term cost. An investigation has been carried out to detect and classify defects in yellow-poplar (Liriodendron tulipifera, L.) and red oak (Quercus rubra, L.) stringers using ultrasonic scanning. Data were...

Study of the Structural Stability in Intermetallics Using Displacive Transformation Paths

NASA Astrophysics Data System (ADS)

Sob, M.; Wang, L. G.; Vitek, V.

1997-03-01

Relative structural stability of TiAl, FeAl, NiAl and NiTi is studied by investigating displacive phase transformation paths. These include the well known tetragonal (Bain's) and trigonal deformation paths which correspond to large homogeneous straining, and also more complex paths that include the shuffling of atomic planes. The results of full-potential APW total energy calculations show that all higher-energy cubic structures studied are locally unstable with respect to some deformation modes. There may or may not be symmetry-dictated energy extrema corresponding to cubic lattices depending on the atomic ordering. However, other energy extrema that are not imposed by symmetry requirements occur along the transformation paths. Configurations corresponding to energy minima may represent metastable structures that can play an important role in interfaces and other extended defects.

FeS2 /CoS2 Interface Nanosheets as Efficient Bifunctional Electrocatalyst for Overall Water Splitting.

PubMed

Li, Yuxuan; Yin, Jie; An, Li; Lu, Min; Sun, Ke; Zhao, Yong-Qin; Gao, Daqiang; Cheng, Fangyi; Xi, Pinxian

2018-05-28

Electrochemical water splitting to produce hydrogen and oxygen, as an important reaction for renewable energy storage, needs highly efficient and stable catalysts. Herein, FeS 2 /CoS 2 interface nanosheets (NSs) as efficient bifunctional electrocatalysts for overall water splitting are reported. The thickness and interface disordered structure with rich defects of FeS 2 /CoS 2 NSs are confirmed by atomic force microscopy and high-resolution transmission electron microscopy. Furthermore, extended X-ray absorption fine structure spectroscopy clarifies that FeS 2 /CoS 2 NSs with sulfur vacancies, which can further increase electrocatalytic performance. Benefiting from the interface nanosheets' structure with abundant defects, the FeS 2 /CoS 2 NSs show remarkable hydrogen evolution reaction (HER) performance with a low overpotential of 78.2 mV at 10 mA cm -2 and a superior stability for 80 h in 1.0 m KOH, and an overpotential of 302 mV at 100 mA cm -2 for the oxygen evolution reaction (OER). More importantly, the FeS 2 /CoS 2 NSs display excellent performance for overall water splitting with a voltage of 1.47 V to achieve current density of 10 mA cm -2 and maintain the activity for at least 21 h. The present work highlights the importance of engineering interface nanosheets with rich defects based on transition metal dichalcogenides for boosting the HER and OER performance. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shamirzaev, V. T., E-mail: tim@isp.nsc.ru; Gaisler, V. A.; Shamirzaev, T. S.

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

Mechanism of Carrier Transport in Hybrid GaN/AlN/Si Solar Cells

NASA Astrophysics Data System (ADS)

Ekinci, Huseyin; Kuryatkov, Vladimir V.; Gherasoiu, Iulian; Karpov, Sergey Y.; Nikishin, Sergey A.

2017-10-01

The particularities of the carrier transport in p- n-GaN/ n-AlN/ p- n-Si and n-GaN/ n-AlN /p- n-Si structures were investigated through temperature-dependent current density and forward voltage ( J- V) measurements, carrier distribution, and transport modeling. Despite the insulating properties of AlN, reasonably high current densities were achieved under forward bias. The experimental relationship between the current density and forward voltage was accurately approximated by an expression accounting for space-charge-limited current in the AlN layer and non-linear characteristics of the p- n junction formed in silicon. We suggest that extended defects throughout the AlN volume are responsible for the conduction, although the limited data available do not allow the accurate identification of the type of these defects.

Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.

PubMed

Cruz, Carlos M; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M; Maçôas, Ermelinda; Campaña, Araceli G

2018-04-28

Herein we describe a distorted ribbon-shaped nanographene exhibiting unprecedented combination of optical properties in graphene-related materials, namely upconversion based on two-photon absorption (TPA-UC) together with circularly polarized luminescence (CPL). The compound is a graphene molecule of ca. 2 nm length and 1 nm width with edge defects that promote the distortion of the otherwise planar lattice. The edge defects are an aromatic saddle-shaped ketone unit and a [5]carbohelicene moiety. This system is shown to combine two-photon absorption and circularly polarized luminescence and a remarkably long emission lifetime of 21.5 ns. The [5]helicene is responsible for the chiroptical activity while the push-pull geometry and the extended network of sp 2 carbons are factors favoring the nonlinear absorption. Electronic structure theoretical calculations support the interpretation of the results.

Extended quantification of the generalized recurrence plot

NASA Astrophysics Data System (ADS)

Riedl, Maik; Marwan, Norbert; Kurths, Jürgen

2016-04-01

The generalized recurrence plot is a modern tool for quantification of complex spatial patterns. Its application spans the analysis of trabecular bone structures, Turing structures, turbulent spatial plankton patterns, and fractals. But, it is also successfully applied to the description of spatio-temporal dynamics and the detection of regime shifts, such as in the complex Ginzburg-Landau- equation. The recurrence plot based determinism is a central measure in this framework quantifying the level of regularities in temporal and spatial structures. We extend this measure for the generalized recurrence plot considering additional operations of symmetry than the simple translation. It is tested not only on two-dimensional regular patterns and noise but also on complex spatial patterns reconstructing the parameter space of the complex Ginzburg-Landau-equation. The extended version of the determinism resulted in values which are consistent to the original recurrence plot approach. Furthermore, the proposed method allows a split of the determinism into parts which based on laminar and non-laminar regions of the two-dimensional pattern of the complex Ginzburg-Landau-equation. A comparison of these parts with a standard method of image classification, the co-occurrence matrix approach, shows differences especially in the description of patterns associated with turbulence. In that case, it seems that the extended version of the determinism allows a distinction of phase turbulence and defect turbulence by means of their spatial patterns. This ability of the proposed method promise new insights in other systems with turbulent dynamics coming from climatology, biology, ecology, and social sciences, for example.

Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.

PubMed

Zhou, Xiaoyuan; Li, Minghui; Su, Deyuan; Jia, Qi; Li, Huan; Li, Xueming; Yang, Jian

2017-12-01

TRPML3 channels are mainly localized to endolysosomes and play a critical role in the endocytic pathway. Their dysfunction causes deafness and pigmentation defects in mice. TRPML3 activity is inhibited by low endolysosomal pH. Here we present cryo-electron microscopy (cryo-EM) structures of human TRPML3 in the closed, agonist-activated, and low-pH-inhibited states, with resolutions of 4.06, 3.62, and 4.65 Å, respectively. The agonist ML-SA1 lodges between S5 and S6 and opens an S6 gate. A polycystin-mucolipin domain (PMD) forms a luminal cap. S1 extends into this cap, forming a 'gating rod' that connects directly to a luminal pore loop, which undergoes dramatic conformational changes in response to low pH. S2 extends intracellularly and interacts with several intracellular regions to form a 'gating knob'. These unique structural features, combined with the results of electrophysiological studies, indicate a new mechanism by which luminal pH and other physiological modulators such as PIP 2 regulate TRPML3 by changing S1 and S2 conformations.

Self-Diffusion in Amorphous Silicon by Local Bond Rearrangements

NASA Astrophysics Data System (ADS)

Kirschbaum, J.; Teuber, T.; Donner, A.; Radek, M.; Bougeard, D.; Böttger, R.; Hansen, J. Lundsgaard; Larsen, A. Nylandsted; Posselt, M.; Bracht, H.

2018-06-01

Experiments on self-diffusion in amorphous silicon (Si) were performed at temperatures between 460 to 600 ° C . The amorphous structure was prepared by Si ion implantation of single crystalline Si isotope multilayers epitaxially grown on a silicon-on-insulator wafer. The Si isotope profiles before and after annealing were determined by means of secondary ion mass spectrometry. Isothermal diffusion experiments reveal that structural relaxation does not cause any significant intermixing of the isotope interfaces whereas self-diffusion is significant before the structure recrystallizes. The temperature dependence of self-diffusion is described by an Arrhenius law with an activation enthalpy Q =(2.70 ±0.11 ) eV and preexponential factor D0=(5.5-3.7+11.1)×10-2 cm2 s-1 . Remarkably, Q equals the activation enthalpy of hydrogen diffusion in amorphous Si, the migration of bond defects determining boron diffusion, and the activation enthalpy of solid phase epitaxial recrystallization reported in the literature. This close agreement provides strong evidence that self-diffusion is mediated by local bond rearrangements rather than by the migration of extended defects as suggested by Strauß et al. (Phys. Rev. Lett. 116, 025901 (2016), 10.1103/PhysRevLett.116.025901).

Reliability of extended dorsal intercostal artery perforator propeller flaps for reconstruction of large myelomeningocele defects.

PubMed

Tenekeci, Goktekin; Basterzi, Yavuz

2017-01-01

Reconstruction of large myelomeningocele defects using extended (elongated beyond the lateral margin of the latissimus dorsi muscle) dorsal intercostal artery perforator (DICAP) propeller flaps is not recommended by previous studies. However, to provide tension-free and successful closure of a defect, the DICAP propeller flaps must sometimes be elongated beyond this margin. Our experience and results in this issue are discussed. In this article, reconstruction of 11 consecutive cases, with large myelomeningocele defects in which standard DICAP propeller flaps were incapable to close the defect, was achieved using extended DICAP propeller flaps between June 2013 and November 2015. At least two reliable perforators of the neighboring intervertebral spaces are included to supply the flap. Intramuscular dissection of perforators is performed to free the perforators from the surrounding muscle and to gain pedicle length as much as possible to prevent twisting and vascular compromise. All the flaps survived completely except for one patient who had superficial skin necrosis on the most distal part of the flap and had severe accompanying systemic disorders and died on postoperative 14th day. In 7 of 11 patients, venous congestion was noted, which resolved spontaneously. No hematoma or seroma formation was observed during the postoperative follow-up period. Dissection of multiple DICAPs supplying flaps enable us to harvest larger DICAP flaps possibly by providing better arterial supply and venous drainage. We use microsurgical instruments and 4.3× loupe magnification for pedicle dissection in this newborn population. This study shows the reliability of extended DICAP propeller flaps when multiple perforators at sixth or more cranial adjacent intercostal spaces are included in DICAP propeller flaps. Copyright © 2016 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Extended bidirectional reflectance distribution function for polarized light scattering from subsurface defects under a smooth surface.

PubMed

Shen, Jian; Deng, Degang; Kong, Weijin; Liu, Shijie; Shen, Zicai; Wei, Chaoyang; He, Hongbo; Shao, Jianda; Fan, Zhengxiu

2006-11-01

By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions.

Transmission electron microscopy study of the MgS–Tm{sub 2}S{sub 3} system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varadé-López, R., E-mail: rebeca.varade@ucm.es; Ávila-Brande, D., E-mail: davilabr@ucm.es; Urones-Garrote, E., E-mail: esteban.urones@pdi.ucm.es

2015-09-15

This work presents the structural–microstructural characterization of the NaCl-derivative MgS–Tm{sub 2}S{sub 3} system, which can be formulated by the expression Mg{sub (1−x)}Tm{sub (2/3)x}□{sub (1/3)x}S (□→cation vacancy). Transmission electron microscopy observations show the transition between NaCl-type and spinel-type structures when 0 ≤x≤ 0.75. The increase of Tm content in the solid solution provokes the increase of the spinel-type phase proportion, which intergrows with the NaCl-type crystals. When x≥0.75, some phases derived from NaCl-type structure through the chemical twinning at the unit cell level crystallographic operation are observed, such as CT-MgTm{sub 2}S{sub 4} and CT-MgTm{sub 4}S{sub 7}. The existence and nature ofmore » the extended defects observed along the c direction of these structures are characterized by means of Scanning-Transmission electron microscopy high-angle dark field imaging, which allows observing the presence of quasi ordered crystals with new possible complex stoichiometries at atomic resolution. - Graphical abstract: HAADF-STEM image of a disordered CT-MgYb{sub 2}S{sub 4} crystal. The disordered twin-slab sequences are marked by arrows. - Highlights: • Structural evolution of the Mg{sub (1−x)}Tm{sub (2/3)x}□{sub (1/3)x}S system was characterized by means of TEM. • The increase in Tm content provokes the transition from NaCl to spinel-type structure up to x=0.75. • Chemical twinned phases CT-MgTm{sub 2}S{sub 4} and CT-MgTm{sub 4}S{sub 7} are observed at high Tm contents. • Extended defects in CT-crystals are characterized with atomic resolution STEM-HAADF images.« less

Regenerative Medicine for Periodontal and Peri-implant Diseases

PubMed Central

Larsson, L.; Decker, A.M.; Nibali, L.; Pilipchuk, S.P.; Berglundh, T.; Giannobile, W.V.

2015-01-01

The balance between bone resorption and bone formation is vital for maintenance and regeneration of alveolar bone and supporting structures around teeth and dental implants. Tissue regeneration in the oral cavity is regulated by multiple cell types, signaling mechanisms, and matrix interactions. A goal for periodontal tissue engineering/regenerative medicine is to restore oral soft and hard tissues through cell, scaffold, and/or signaling approaches to functional and aesthetic oral tissues. Bony defects in the oral cavity can vary significantly, ranging from smaller intrabony lesions resulting from periodontal or peri-implant diseases to large osseous defects that extend through the jaws as a result of trauma, tumor resection, or congenital defects. The disparity in size and location of these alveolar defects is compounded further by patient-specific and environmental factors that contribute to the challenges in periodontal regeneration, peri-implant tissue regeneration, and alveolar ridge reconstruction. Efforts have been made over the last few decades to produce reliable and predictable methods to stimulate bone regeneration in alveolar bone defects. Tissue engineering/regenerative medicine provide new avenues to enhance tissue regeneration by introducing bioactive models or constructing patient-specific substitutes. This review presents an overview of therapies (e.g., protein, gene, and cell based) and biomaterials (e.g., resorbable, nonresorbable, and 3-dimensionally printed) used for alveolar bone engineering around teeth and implants and for implant site development, with emphasis on most recent findings and future directions. PMID:26608580

Damage Tolerance of Large Shell Structures

NASA Technical Reports Server (NTRS)

Minnetyan, L.; Chamis, C. C.

1999-01-01

Progressive damage and fracture of large shell structures is investigated. A computer model is used for the assessment of structural response, progressive fracture resistance, and defect/damage tolerance characteristics. Critical locations of a stiffened conical shell segment are identified. Defective and defect-free computer models are simulated to evaluate structural damage/defect tolerance. Safe pressurization levels are assessed for the retention of structural integrity at the presence of damage/ defects. Damage initiation, growth, accumulation, and propagation to fracture are included in the simulations. Damage propagation and burst pressures for defective and defect-free shells are compared to evaluate damage tolerance. Design implications with regard to defect and damage tolerance of a large steel pressure vessel are examined.

Defect reaction network in Si-doped InAs. Numerical predictions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schultz, Peter A.

This Report characterizes the defects in the def ect reaction network in silicon - doped, n - type InAs predicted with first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si - doped InAs , until culminating in immobile reaction p roducts. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon - related defects in the reaction network. This Report serves to extend the results for the properties of intrinsic defects in bulkmore » InAs as colla ted in SAND 2013 - 2477 : Simple intrinsic defects in InAs : Numerical predictions to include Si - containing simple defects likely to be present in a radiation - induced defect reaction sequence . This page intentionally left blank« less

Anomalous Dirac point transport due to extended defects in bilayer graphene.

PubMed

Shallcross, Sam; Sharma, Sangeeta; Weber, Heiko B

2017-08-24

Charge transport at the Dirac point in bilayer graphene exhibits two dramatically different transport states, insulating and metallic, that occur in apparently otherwise indistinguishable experimental samples. We demonstrate that the existence of these two transport states has its origin in an interplay between evanescent modes, that dominate charge transport near the Dirac point, and disordered configurations of extended defects in the form of partial dislocations. In a large ensemble of bilayer systems with randomly positioned partial dislocations, the distribution of conductivities is found to be strongly peaked at both the insulating and metallic limits. We argue that this distribution form, that occurs only at the Dirac point, lies at the heart of the observation of both metallic and insulating states in bilayer graphene.In seemingly indistinguishable bilayer graphene samples, two distinct transport regimes, insulating and metallic, have been identified experimentally. Here, the authors demonstrate that these two states originate from the interplay between extended defects and evanescent modes at the Dirac point.

Silicon Carbide Epitaxial Films Studied by Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

1996-01-01

Silicon carbide (SiC) holds great potential as an electronic material because of its wide band gap energy, high breakdown electric field, thermal stability, and resistance to radiation damage. Possible aerospace applications of high-temperature, high-power, or high-radiation SiC electronic devices include sensors, control electronics, and power electronics that can operate at temperatures up to 600 C and beyond. Commercially available SiC devices now include blue light-emitting diodes (LED's) and high-voltage diodes for operation up to 350 C, with other devices under development. At present, morphological defects in epitaxially grown SiC films limit their use in device applications. Research geared toward reducing the number of structural inhomogeneities can benefit from an understanding of the type and nature of problems that cause defects. The Atomic Force Microscope (AFM) has proven to be a useful tool in characterizing defects present on the surface of SiC epitaxial films. The in-house High-Temperature Integrated Electronics and Sensors (HTIES) Program at the NASA Lewis Research Center not only extended the dopant concentration range achievable in epitaxial SiC films, but it reduced the concentration of some types of defects. Advanced structural characterization using the AFM was warranted to identify the type and structure of the remaining film defects and morphological inhomogeneities. The AFM can give quantitative information on surface topography down to molecular scales. Acquired, in part, in support of the Advanced High Temperature Engine Materials Technology Program (HITEMP), the AFM had been used previously to detect partial fiber debonding in composite material cross sections. Atomic force microscopy examination of epitaxial SiC film surfaces revealed molecular-scale details of some unwanted surface features. Growth pits propagating from defects in the substrate, and hillocks due, presumably, to existing screw dislocations in the substrates, were imaged. Away from local defects, step bunching was observed to yield step heights of hundreds of angstroms, with possible implications for the uniformity of dopants incorporated in SiC devices during fabrication. The quantitative topographic data from the AFM allow the relevant defect information to be extracted, such as the size and distribution of step bunching and the Burgers vector of screw dislocations. These atomic force microscopy results have furthered the understanding of the dynamic epitaxial SiC growth process. A model describing the observed hillock step bunching has been proposed. This cooperation between researchers involved in crystal growth, electronic device fabrication, and surface structural characterization is likely to continue as atomic force microscopy is used to improve SiC films for high-temperature electronic devices for NASA's advanced turbine engines and space power devices, as well as for future applications in the automotive industry.

Automatic defects recognition in composite aerospace structures from experimental and theoretical analysis as part of an intelligent infrared thermographic inspection system

NASA Astrophysics Data System (ADS)

David, Denis G. F.; Marin, J. Y.; Tretout, Herve R.

An original concept for IR thermography nondestructive testing is validated. The principles of image and data processing investigated and developed as well as the utilization of AI should be transposable to other nondestructive techniques such as ultrasounds and X-rays. It is shown that modeling can be used in different ways to play a great part in the detection, the interpretation, and the sizing of the defects. The original concept lies in the comparison of experimental data with theoretical ones in order to identify regions of abnormal behavior related to defects. A Laplace transforms analytical method is successfully implemented in the case of composite materials such as graphite epoxy to identify a set of thermal parameters which contributes to the expertise. This approach is extended to a more complicated composite material such as Kevlar, which presents semitransparent characteristics. This modeling technique, which expresses experimental data in terms of thermal parameters, makes it possible to increase SNR and reduce the number of thermal images to be processed.

Automatic defects recognition in composite aerospace structures from experimental and theoretical analysis as part of an intelligent infrared thermographic inspection system

NASA Astrophysics Data System (ADS)

David, D.; Marin, J. Y.; Tretout, H.

1992-04-01

An original concept for IR thermography nondestructive testing is validated. The principles of image and data processing investigated and developed as well as the utilization of AI should be transposable to other nondestructive techniques such as ultrasounds and X-rays. It is shown that modeling can be used in different ways to play a great part in the detection, the interpretation, and the sizing of the defects. The original concept lies in the comparison of experimental data with theoretical ones in order to identify regions of abnormal behavior related to defects. A Laplace transforms analytical method is successfully implemented in the case of composite materials such as graphite epoxy to identify a set of thermal parameters which contributes to the expertise. This approach is extended to a more complicated composite material such as Kevlar, which presents semitransparent characteristics. This modeling technique, which expresses experimental data in terms of thermal parameters, makes it possible to increase SNR and reduce the number of thermal images to be processed.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Spatially resolved mapping of electrical conductivity across individual domain (grain) boundaries in graphene.

PubMed

Clark, Kendal W; Zhang, X-G; Vlassiouk, Ivan V; He, Guowei; Feenstra, Randall M; Li, An-Ping

2013-09-24

All large-scale graphene films contain extended topological defects dividing graphene into domains or grains. Here, we spatially map electronic transport near specific domain and grain boundaries in both epitaxial graphene grown on SiC and CVD graphene on Cu subsequently transferred to a SiO2 substrate, with one-to-one correspondence to boundary structures. Boundaries coinciding with the substrate step on SiC exhibit a significant potential barrier for electron transport of epitaxial graphene due to the reduced charge transfer from the substrate near the step edge. Moreover, monolayer-bilayer boundaries exhibit a high resistance that can change depending on the height of substrate step coinciding at the boundary. In CVD graphene, the resistance of a grain boundary changes with the width of the disordered transition region between adjacent grains. A quantitative modeling of boundary resistance reveals the increased electron Fermi wave vector within the boundary region, possibly due to boundary induced charge density variation. Understanding how resistance change with domain (grain) boundary structure in graphene is a crucial first step for controlled engineering of defects in large-scale graphene films.

The Extended Nasoseptal Flap for Skull Base Reconstruction of the Clival Region: An Anatomical and Radiological Study

PubMed Central

Peris-Celda, Maria; Pinheiro-Neto, Carlos Diogenes; Funaki, Takeshi; Fernandez-Miranda, Juan C.; Gardner, Paul; Snyderman, Carl; Rhoton, Albert L.

2013-01-01

Objective Reconstruction of large clival defects after an endoscopic endonasal procedure is challenging. The objective is to analyze the morphology, indications, and limitations of the extended nasoseptal flap, which adds the nasal floor and inferior meatus mucosa, compared with the standard nasoseptal flap, for clival reconstruction. Design Twenty-seven sides of formalin-fixed anatomical specimens and 13 computed tomography (CT) scans were used. Under 0-degree endoscopic visualization, a standard flap on one side and an extended flap on the other side were performed, as well as exposure of the sella, cavernous sinus, and clival dura mater. Coverage of both flaps was assessed, and they were incised and extracted for measurements. Results The extended flap has two parts: septal and inferior meatal. The extended flaps are 20 mm longer and add 774 mm2 of mucosal area. They cover a clival defect from tuberculum to foramen magnum in 66.6% cases and from below the sella in 91.6%. They cover both parasellar and paraclival segments of the internal carotid arteries. The lateral inferior limits are the medial aspect of the hypoglossal canals and Eustachian tubes. CT scans can predict the need or limitation of an extended nasoseptal flap. Conclusions The nasal floor and inferior meatus mucosa adds a significant area for reconstruction of the clivus. A defect laterally beyond the hypoglossal canals is not likely covered with this variation of the flap. Preoperative CT scans are useful to guide the reconstruction techniques. PMID:24436940

Extended glaze firing on ceramics for hard machining: Crack healing, residual stresses, optical and microstructural aspects.

PubMed

Aurélio, Iana L; Dorneles, Lucio S; May, Liliana G

2017-02-01

To evaluate the effect of extended and conventional (manufacturer-recommended) glaze firings on crack healing, residual stresses, optical characteristics and crystalline structure of four ceramics for hard machining. Rectangular specimens were obtained by sectioning densely sintered feldspathic (FEL), leucite- (LEU), lithium disilicate- (DIS), and zirconia-reinforced lithium silicate-based (ZLS) prefabricated ceramic blocks and divided into groups according to the applied glaze firing (n=5): conventional glaze/manufacturer-recommended (G), extended glaze (EG) and control/no heat treatment (C). Defects generated by indentation were analyzed by scanning electron microscopy before and after firing (n=1) to evaluate crack healing. Residual stresses were determined by the indentation technique. Color differences (ΔE) after firing were measured by CIEDE2000 formula, and translucency variations were quantified by contrast ratio. Stability of crystalline microstructure was analyzed by X-ray diffraction. Regardless of the material, EG had greater ability than G to heal defects, and produced compressive residual stresses, while G generated tensile stresses. Color differences produced by EG were: imperceptible for FEL and LEU ceramics; perceptible, but still clinically acceptable for DIS; clinically unacceptable for ZLS. G produced no perceptible color change. The DIS and ZLS ceramics became ≈1% more opaque after G, ≈4% and ≈15%, respectively, after EG. The crystalline phase of all the ceramics remained stable after G and EG. Extended glaze firing could be an alternative to finish feldspathic, leucite-, and lithium disilicate-based ceramic restorations, since it provides greater crack healing than the conventional glaze firing. It develops tolerable residual stresses, and produces clinically acceptable color alterations, without altering the microstructure of these materials. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Coherent X-Ray Imaging of Collagen Fibril Distributions within Intact Tendons

PubMed Central

Berenguer, Felisa; Bean, Richard J.; Bozec, Laurent; Vila-Comamala, Joan; Zhang, Fucai; Kewish, Cameron M.; Bunk, Oliver; Rodenburg, John M.; Robinson, Ian K.

2014-01-01

The characterization of the structure of highly hierarchical biosamples such as collagen-based tissues at the scale of tens of nanometers is essential to correlate the tissue structure with its growth processes. Coherent x-ray Bragg ptychography is an innovative imaging technique that gives high resolution images of the ordered parts of such samples. Herein, we report how we used this method to image the collagen fibrillar ultrastructure of intact rat tail tendons. The images show ordered fibrils extending over 10–20 μm in length, with a quantifiable D-banding spacing variation of 0.2%. Occasional defects in the fibrils distribution have also been observed, likely indicating fibrillar fusion events. PMID:24461021

Improved detection rate of structural abnormalities in the first trimester using an extended examination protocol.

PubMed

Iliescu, D; Tudorache, S; Comanescu, A; Antsaklis, P; Cotarcea, S; Novac, L; Cernea, N; Antsaklis, A

2013-09-01

To assess the potential of first-trimester sonography in the detection of fetal abnormalities using an extended protocol that is achievable with reasonable resources of time, personnel and ultrasound equipment. This was a prospective two-center 2-year study of 5472 consecutive unselected pregnant women examined at 12 to 13 + 6 gestational weeks. Women were examined using an extended morphogenetic ultrasound protocol that, in addition to the basic evaluation, involved a color Doppler cardiac sweep and identification of early contingent markers for major abnormalities. The prevalence of lethal and severe malformations was 1.39%. The first-trimester scan identified 40.6% of the cases detected overall and 76.3% of major structural defects. The first-trimester detection rate (DR) for major congenital heart disease (either isolated or associated with extracardiac abnormalities) was 90% and that for major central nervous system anomalies was 69.5%. In fetuses with increased nuchal translucency (NT), the first-trimester DR for major anomalies was 96%, and in fetuses with normal NT it was 66.7%. Most (67.1%) cases with major abnormalities presented with normal NT. A detailed first-trimester anomaly scan using an extended protocol is an efficient screening method to detect major fetal structural abnormalities in low-risk pregnancies. It is feasible at 12 to 13 + 6 weeks with ultrasound equipment and personnel already used for routine first-trimester screening. Rate of detection of severe malformations is greater in early- than in mid-pregnancy and on postnatal evaluation. Early heart investigation could be improved by an extended protocol involving use of color Doppler. Copyright © 2013 ISUOG. Published by John Wiley & Sons Ltd.

Topological Defects in a Living Nematic Ensnare Swimming Bacteria

NASA Astrophysics Data System (ADS)

Genkin, Mikhail M.; Sokolov, Andrey; Lavrentovich, Oleg D.; Aranson, Igor S.

2017-01-01

Active matter exemplified by suspensions of motile bacteria or synthetic self-propelled particles exhibits a remarkable propensity to self-organization and collective motion. The local input of energy and simple particle interactions often lead to complex emergent behavior manifested by the formation of macroscopic vortices and coherent structures with long-range order. A realization of an active system has been conceived by combining swimming bacteria and a lyotropic liquid crystal. Here, by coupling the well-established and validated model of nematic liquid crystals with the bacterial dynamics, we develop a computational model describing intricate properties of such a living nematic. In faithful agreement with the experiment, the model reproduces the onset of periodic undulation of the director and consequent proliferation of topological defects with the increase in bacterial concentration. It yields a testable prediction on the accumulation of bacteria in the cores of +1 /2 topological defects and depletion of bacteria in the cores of -1 /2 defects. Our dedicated experiment on motile bacteria suspended in a freestanding liquid crystalline film fully confirms this prediction. Our findings suggest novel approaches for trapping and transport of bacteria and synthetic swimmers in anisotropic liquids and extend a scope of tools to control and manipulate microscopic objects in active matter.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hinshaw, Stephen M.; Makrantoni, Vasso; Kerr, Alastair

The cohesin ring holds newly replicated sister chromatids together until their separation at anaphase. Initiation of sister chromatid cohesion depends on a separate complex, Scc2NIPBL/Scc4Mau2 (Scc2/4), which loads cohesin onto DNA and determines its localization across the genome. Proper cohesin loading is essential for cell division, and partial defects cause chromosome missegregation and aberrant transcriptional regulation, leading to severe developmental defects in multicellular organisms. We present here a crystal structure showing the interaction between Scc2 and Scc4. Scc4 is a TPR array that envelops an extended Scc2 peptide. Using budding yeast, we demonstrate that a conserved patch on the surfacemore » of Scc4 is required to recruit Scc2/4 to centromeres and to build pericentromeric cohesion. These findings reveal the role of Scc4 in determining the localization of cohesin loading and establish a molecular basis for Scc2/4 recruitment to centromeres.« less

Eddy current imaging for electrical characterization of silicon solar cells and TCO layers

NASA Astrophysics Data System (ADS)

Hwang, Byungguk; Hillmann, Susanne; Schulze, Martin; Klein, Marcus; Heuer, Henning

2015-03-01

Eddy Current Testing has been mainly used to determine defects of conductive materials and wall thicknesses in heavy industries such as construction or aerospace. Recently, high frequency Eddy Current imaging technology was developed. This enables the acquirement of information of different depth level in conductive thin-film structures by realizing proper standard penetration depth. In this paper, we summarize the state of the art applications focusing on PV industry and extend the analysis implementing achievements by applying spatially resolved Eddy Current Testing. The specific state of frequency and complex phase angle rotation demonstrates diverse defects from front to back side of silicon solar cells and characterizes homogeneity of sheet resistance in Transparent Conductive Oxide (TCO) layers. In order to verify technical feasibility, measurement results from the Multi Parameter Eddy Current Scanner, MPECS are compared to the results from Electroluminescence.

Enhanced heterogeneous ice nucleation by special surface geometry

PubMed Central

Bi, Yuanfei; Cao, Boxiao; Li, Tianshu

2017-01-01

The freezing of water typically proceeds through impurity-mediated heterogeneous nucleation. Although non-planar geometry generically exists on the surfaces of ice nucleation centres, its role in nucleation remains poorly understood. Here we show that an atomically sharp, concave wedge can further promote ice nucleation with special wedge geometries. Our molecular analysis shows that significant enhancements of ice nucleation can emerge both when the geometry of a wedge matches the ice lattice and when such lattice match does not exist. In particular, a 45° wedge is found to greatly enhance ice nucleation by facilitating the formation of special topological defects that consequently catalyse the growth of regular ice. Our study not only highlights the active role of defects in nucleation but also suggests that the traditional concept of lattice match between a nucleation centre and crystalline lattice should be extended to include a broader match with metastable, non-crystalline structural motifs. PMID:28513603

Enhanced heterogeneous ice nucleation by special surface geometry.

PubMed

Bi, Yuanfei; Cao, Boxiao; Li, Tianshu

2017-05-17

The freezing of water typically proceeds through impurity-mediated heterogeneous nucleation. Although non-planar geometry generically exists on the surfaces of ice nucleation centres, its role in nucleation remains poorly understood. Here we show that an atomically sharp, concave wedge can further promote ice nucleation with special wedge geometries. Our molecular analysis shows that significant enhancements of ice nucleation can emerge both when the geometry of a wedge matches the ice lattice and when such lattice match does not exist. In particular, a 45° wedge is found to greatly enhance ice nucleation by facilitating the formation of special topological defects that consequently catalyse the growth of regular ice. Our study not only highlights the active role of defects in nucleation but also suggests that the traditional concept of lattice match between a nucleation centre and crystalline lattice should be extended to include a broader match with metastable, non-crystalline structural motifs.

Improving depth resolutions in positron beam spectroscopy by concurrent ion-beam sputtering

NASA Astrophysics Data System (ADS)

John, Marco; Dalla, Ayham; Ibrahim, Alaa M.; Anwand, Wolfgang; Wagner, Andreas; Böttger, Roman; Krause-Rehberg, Reinhard

2018-05-01

The depth resolution of mono-energetic positron annihilation spectroscopy using a positron beam is shown to improve by concurrently removing the sample surface layer during positron beam spectroscopy. During ion-beam sputtering with argon ions, Doppler-broadening spectroscopy is performed with energies ranging from 3 keV to 5 keV allowing for high-resolution defect studies just below the sputtered surface. With this technique, significantly improved depth resolutions could be obtained even at larger depths when compared to standard positron beam experiments which suffer from extended positron implantation profiles at higher positron energies. Our results show that it is possible to investigate layered structures with a thickness of about 4 microns with significantly improved depth resolution. We demonstrated that a purposely generated ion-beam induced defect profile in a silicon sample could be resolved employing the new technique. A depth resolution of less than 100 nm could be reached.

Momentum conserving defects in affine Toda field theories

NASA Astrophysics Data System (ADS)

Bristow, Rebecca; Bowcock, Peter

2017-05-01

Type II integrable defects with more than one degree of freedom at the defect are investigated. A condition on the form of the Lagrangian for such defects is found which ensures the existence of a conserved momentum in the presence of the defect. In addition it is shown that for any Lagrangian satisfying this condition, the defect equations of motion, when taken to hold everywhere, can be extended to give a Bäcklund transformation between the bulk theories on either side of the defect. This strongly suggests that such systems are integrable. Momentum conserving defects and Bäcklund transformations for affine Toda field theories based on the A n , B n , C n and D n series of Lie algebras are found. The defect associated with the D 4 affine Toda field theory is examined in more detail. In particular classical time delays for solitons passing through the defect are calculated.

Increasing reticle inspection efficiency and reducing wafer printchecks at 14nm using automated defect classification and simulation

NASA Astrophysics Data System (ADS)

Paracha, Shazad; Goodman, Eliot; Eynon, Benjamin G.; Noyes, Ben F.; Ha, Steven; Kim, Jong-Min; Lee, Dong-Seok; Lee, Dong-Heok; Cho, Sang-Soo; Ham, Young M.; Vacca, Anthony D.; Fiekowsky, Peter J.; Fiekowsky, Daniel I.

2014-10-01

IC fabs inspect critical masks on a regular basis to ensure high wafer yields. These requalification inspections are costly for many reasons including the capital equipment, system maintenance, and labor costs. In addition, masks typically remain in the "requal" phase for extended, non-productive periods of time. The overall "requal" cycle time in which reticles remain non-productive is challenging to control. Shipping schedules can slip when wafer lots are put on hold until the master critical layer reticle is returned to production. Unfortunately, substituting backup critical layer reticles can significantly reduce an otherwise tightly controlled process window adversely affecting wafer yields. One major requal cycle time component is the disposition process of mask inspections containing hundreds of defects. Not only is precious non-productive time extended by reviewing hundreds of potentially yield-limiting detections, each additional classification increases the risk of manual review techniques accidentally passing real yield limiting defects. Even assuming all defects of interest are flagged by operators, how can any person's judgment be confident regarding lithographic impact of such defects? The time reticles spend away from scanners combined with potential yield loss due to lithographic uncertainty presents significant cycle time loss and increased production costs An automatic defect analysis system (ADAS), which has been in fab production for numerous years, has been improved to handle the new challenges of 14nm node automate reticle defect classification by simulating each defect's printability under the intended illumination conditions. In this study, we have created programmed defects on a production 14nm node critical-layer reticle. These defects have been analyzed with lithographic simulation software and compared to the results of both AIMS optical simulation and to actual wafer prints.

The Postauricular Helix-based Adipodermal-pedicle Turnover (PHAT) Flap: An Original Single-Stage Technique for Antihelix and Scapha Reconstruction.

PubMed

Beustes-Stefanelli, Matthieu; O'Toole, Greg; Schertenleib, Pierre

2016-01-01

In reconstructing anterior defects of the ear, postauricular flaps represent a popular option. The pedicle of such transauricular flaps can be superior, inferior, medial, or lateral. The postauricular helix-based adipodermal-pedicle turnover (PHAT) flap is an original single-stage transauricular technique for defects of the antihelix and scapha. Its skin paddle is on the posterior aspect of the ear. Its lateral de-epithelialized pedicle in front of the helix allows for it to easily reach peripheral anterior defects. In cases in which the underlying cartilage is involved, the extended PHAT (ePHAT) flap allows for restoring the contours of the ear without a cartilage graft. Between 2009 and 2011, a PHAT flap was used in 5 cases of defects of the antihelix or the scapha after tumor resection, 3 of which are in an extended version (ePHAT flap). There were no complications and a satisfactory aesthetic result was achieved in all cases. The PHAT flap is an original single-stage procedure for anterior auricular defects located on the antihelix or scapha. The single-layer PHAT flap is indicated in purely skin defect. The triple-layer ePHAT flap includes two subcutaneous extensions which increase its thickness and is indicated to restore the ear contours when cartilage has been removed.

X-ray absorption investigation of local structural disorder in Ni 1-xFe x (x=0.10, 0.20, 0.35, and 0.50) alloys

DOE PAGES

Zhang, Fuxiang X.; Jin, Ke; Zhao, Shijun; ...

2017-04-27

Defect energetics in structural materials has long been recognized to be affected by specific alloy compositions. Significantly enhanced radiation resistance has recently been observed in concentrated solid-solution alloys. However, the link between local structural disorder and modified defect dynamics in solid solutions remains unclear. To reveal the atomic-level lattice distortion, the local structures of Ni and Fe in Ni 1-xFe x (x=0.1, 0.2, 0.35 and 0.5) solid solution alloys were measured with extended X-ray absorption fine structure (EXAFS) technique. The lattice constant and the first-neighbor distances increase with the increase of Fe content in the solid solutions. EXAFS measurements havemore » revealed that the bond length of Fe with surrounding atoms is 0.01-0.03 larger than that of Ni in the alloy systems. Debye-Waller factor of the Fe-Fe bonds in all the systems is also slightly larger than that of the Ni-Ni bond. EXAFS fitting suggests that the local structural disorder is enhanced with the addition of Fe elements in the solid solution. The local bonding environments from ab initio calculation are in good agreement with the experimental results, which suggest that the Fe has a larger first-neighbor bonding distance than that of Ni, and thus Ni atom inside the Ni-Fe solid solution alloys undergoes compressive strain.« less

X-ray absorption investigation of local structural disorder in Ni 1-xFe x (x=0.10, 0.20, 0.35, and 0.50) alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fuxiang X.; Jin, Ke; Zhao, Shijun

Defect energetics in structural materials has long been recognized to be affected by specific alloy compositions. Significantly enhanced radiation resistance has recently been observed in concentrated solid-solution alloys. However, the link between local structural disorder and modified defect dynamics in solid solutions remains unclear. To reveal the atomic-level lattice distortion, the local structures of Ni and Fe in Ni 1-xFe x (x=0.1, 0.2, 0.35 and 0.5) solid solution alloys were measured with extended X-ray absorption fine structure (EXAFS) technique. The lattice constant and the first-neighbor distances increase with the increase of Fe content in the solid solutions. EXAFS measurements havemore » revealed that the bond length of Fe with surrounding atoms is 0.01-0.03 larger than that of Ni in the alloy systems. Debye-Waller factor of the Fe-Fe bonds in all the systems is also slightly larger than that of the Ni-Ni bond. EXAFS fitting suggests that the local structural disorder is enhanced with the addition of Fe elements in the solid solution. The local bonding environments from ab initio calculation are in good agreement with the experimental results, which suggest that the Fe has a larger first-neighbor bonding distance than that of Ni, and thus Ni atom inside the Ni-Fe solid solution alloys undergoes compressive strain.« less

Regenerative Medicine for Periodontal and Peri-implant Diseases.

PubMed

Larsson, L; Decker, A M; Nibali, L; Pilipchuk, S P; Berglundh, T; Giannobile, W V

2016-03-01

The balance between bone resorption and bone formation is vital for maintenance and regeneration of alveolar bone and supporting structures around teeth and dental implants. Tissue regeneration in the oral cavity is regulated by multiple cell types, signaling mechanisms, and matrix interactions. A goal for periodontal tissue engineering/regenerative medicine is to restore oral soft and hard tissues through cell, scaffold, and/or signaling approaches to functional and aesthetic oral tissues. Bony defects in the oral cavity can vary significantly, ranging from smaller intrabony lesions resulting from periodontal or peri-implant diseases to large osseous defects that extend through the jaws as a result of trauma, tumor resection, or congenital defects. The disparity in size and location of these alveolar defects is compounded further by patient-specific and environmental factors that contribute to the challenges in periodontal regeneration, peri-implant tissue regeneration, and alveolar ridge reconstruction. Efforts have been made over the last few decades to produce reliable and predictable methods to stimulate bone regeneration in alveolar bone defects. Tissue engineering/regenerative medicine provide new avenues to enhance tissue regeneration by introducing bioactive models or constructing patient-specific substitutes. This review presents an overview of therapies (e.g., protein, gene, and cell based) and biomaterials (e.g., resorbable, nonresorbable, and 3-dimensionally printed) used for alveolar bone engineering around teeth and implants and for implant site development, with emphasis on most recent findings and future directions. © International & American Associations for Dental Research 2015.

Damage of composite structures: Detection technique, dynamic response and residual strength

NASA Astrophysics Data System (ADS)

Lestari, Wahyu

2001-10-01

Reliable and accurate health monitoring techniques can prevent catastrophic failures of structures. Conventional damage detection methods are based on visual or localized experimental methods and very often require prior information concerning the vicinity of the damage or defect. The structure must also be readily accessible for inspections. The techniques are also labor intensive. In comparison to these methods, health-monitoring techniques that are based on the structural dynamic response offers unique information on failure of structures. However, systematic relations between the experimental data and the defect are not available and frequently, the number of vibration modes needed for an accurate identification of defects is much higher than the number of modes that can be readily identified in the experiment. These motivated us to develop an experimental data based detection method with systematic relationships between the experimentally identified information and the analytical or mathematical model representing the defective structures. The developed technique use changes in vibrational curvature modes and natural frequencies. To avoid misinterpretation of the identified information, we also need to understand the effects of defects on the structural dynamic response prior to developing health-monitoring techniques. In this thesis work we focus on two type of defects in composite structures, namely delamination and edge notch like defect. Effects of nonlinearity due to the presence of defect and due to the axial stretching are studied for beams with delamination. Once defects are detected in a structure, next concern is determining the effects of the defects on the strength of the structure and its residual stiffness under dynamic loading. In this thesis, energy release rate due to dynamic loading in a delaminated structure is studied, which will be a foundation toward determining the residual strength of the structure.

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

NASA Astrophysics Data System (ADS)

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 tensor analysis turns out to be a powerful tool for investigations of crystallization processes. It is capable of revealing nonlinear local topological properties, however, still provides easily interpretable results founded on a solid mathematical framework.

Reconstruction Using Locoregional Flaps for Large Skull Base Defects.

PubMed

Hatano, Takaharu; Motomura, Hisashi; Ayabe, Shinobu

2015-06-01

We present a modified locoregional flap for the reconstruction of large anterior skull base defects that should be reconstructed with a free flap according to Yano's algorithm. No classification of skull base defects had been proposed for a long time. Yano et al suggested a new classification in 2012. The lb defect of Yano's classification extends horizontally from the cribriform plate to the orbital roof. According to Yano's algorithm for subsequent skull base reconstructive procedures, a lb defect should be reconstructed with a free flap such as an anterolateral thigh free flap or rectus abdominis myocutaneous free flap. However, our modified locoregional flap has also enabled reconstruction of lb defects. In this case series, we used a locoregional flap for lb defects. No major postoperative complications occurred. We present our modified locoregional flap that enables reconstruction of lb defects.

Line Scanning Thermography for Rapid Nondestructive Inspection of Large Scale Composites

NASA Astrophysics Data System (ADS)

Chung, S.; Ley, O.; Godinez, V.; Bandos, B.

2011-06-01

As next generation structures are utilizing larger amounts of composite materials, a rigorous and reliable method is needed to inspect these structures in order to prevent catastrophic failure and extend service life. Current inspection methods, such as ultrasonic, generally require extended down time and man hours as they are typically carried out via point-by-point measurements. A novel Line Scanning Thermography (LST) System has been developed for the non-contact, large-scale field inspection of composite structures with faster scanning times than conventional thermography systems. LST is a patented dynamic thermography technique where the heat source and thermal camera move in tandem, which allows the continuous scan of long surfaces without the loss of resolution. The current system can inspect an area of 10 in2 per 1 second, and has a resolution of 0.05×0.03 in2. Advanced data gathering protocols have been implemented for near-real time damage visualization and post-analysis algorithms for damage interpretation. The system has been used to successfully detect defects (delamination, dry areas) in fiber-reinforced composite sandwich panels for Navy applications, as well as impact damage in composite missile cases and armor ceramic panels.

Finite element analysis simulations for ultrasonic array NDE inspections

NASA Astrophysics Data System (ADS)

Dobson, Jeff; Tweedie, Andrew; Harvey, Gerald; O'Leary, Richard; Mulholland, Anthony; Tant, Katherine; Gachagan, Anthony

2016-02-01

Advances in manufacturing techniques and materials have led to an increase in the demand for reliable and robust inspection techniques to maintain safety critical features. The application of modelling methods to develop and evaluate inspections is becoming an essential tool for the NDE community. Current analytical methods are inadequate for simulation of arbitrary components and heterogeneous materials, such as anisotropic welds or composite structures. Finite element analysis software (FEA), such as PZFlex, can provide the ability to simulate the inspection of these arrangements, providing the ability to economically prototype and evaluate improved NDE methods. FEA is often seen as computationally expensive for ultrasound problems however, advances in computing power have made it a more viable tool. This paper aims to illustrate the capability of appropriate FEA to produce accurate simulations of ultrasonic array inspections - minimizing the requirement for expensive test-piece fabrication. Validation is afforded via corroboration of the FE derived and experimentally generated data sets for a test-block comprising 1D and 2D defects. The modelling approach is extended to consider the more troublesome aspects of heterogeneous materials where defect dimensions can be of the same length scale as the grain structure. The model is used to facilitate the implementation of new ultrasonic array inspection methods for such materials. This is exemplified by considering the simulation of ultrasonic NDE in a weld structure in order to assess new approaches to imaging such structures.

Mechanism of Na-Ion Storage in Hard Carbon Anodes Revealed by Heteroatom Doping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhifei; Bommier, Clement; Chong, Zhi Sen

Hard carbon is the candidate anode material for the commercialization of Na-ion batteries the batteries that by virtue of being constructed from inexpensive and abundant components open the door for massive scale up of battery-based storage of electrical energy. Holding back the development of these batteries is that a complete understanding of the mechanism of Na-ion storage in hard carbon has remained elusive. Although as an amorphous carbon, hard carbon possesses a subtle and complex structure composed of domains of layered rumpled sheets that have local order resembling graphene within each layer but complete disorder along the c-axis between layers.more » Here, we present two key discoveries: first that characteristics of hard carbon s structure can be modified systematically by heteroatom doping, and second, that these changes greatly affect Na-ion storage properties, which reveal the mechanisms for Na storage in hard carbon. Specifically, P, S and B doping was used to engineer the density of local defects in graphenic layers, and to modify the spacing between the layers. While opening the interlayer spacing through P or S doping extends the low-voltage capacity plateau, and increasing the defect concentration with P or B doping high first sodiation capacity is achieved. Furthermore, we observe that the highly defective B-doped hard carbon suffers a tremendous irreversible capacity in the first desodiation cycle. Our combined first principles calculations and experimental studies revealed a new trapping mechanism, showing that the high binding energies between B-doping induced defects and Na-ions are responsible for the irreversible capacity. The understanding generated in this work provides a totally new set of guiding principles for materials engineers working to optimize hard carbon for Na-ion battery applications.« less

Mechanism of Na-Ion Storage in Hard Carbon Anodes Revealed by Heteroatom Doping

DOE PAGES

Li, Zhifei; Bommier, Clement; Chong, Zhi Sen; ...

2017-05-23

Hard carbon is the candidate anode material for the commercialization of Na-ion batteries the batteries that by virtue of being constructed from inexpensive and abundant components open the door for massive scale up of battery-based storage of electrical energy. Holding back the development of these batteries is that a complete understanding of the mechanism of Na-ion storage in hard carbon has remained elusive. Although as an amorphous carbon, hard carbon possesses a subtle and complex structure composed of domains of layered rumpled sheets that have local order resembling graphene within each layer but complete disorder along the c-axis between layers.more » Here, we present two key discoveries: first that characteristics of hard carbon s structure can be modified systematically by heteroatom doping, and second, that these changes greatly affect Na-ion storage properties, which reveal the mechanisms for Na storage in hard carbon. Specifically, P, S and B doping was used to engineer the density of local defects in graphenic layers, and to modify the spacing between the layers. While opening the interlayer spacing through P or S doping extends the low-voltage capacity plateau, and increasing the defect concentration with P or B doping high first sodiation capacity is achieved. Furthermore, we observe that the highly defective B-doped hard carbon suffers a tremendous irreversible capacity in the first desodiation cycle. Our combined first principles calculations and experimental studies revealed a new trapping mechanism, showing that the high binding energies between B-doping induced defects and Na-ions are responsible for the irreversible capacity. The understanding generated in this work provides a totally new set of guiding principles for materials engineers working to optimize hard carbon for Na-ion battery applications.« less

The first defective extended chromium atom chain complex with amine ligand containing naphthyridine and pyrazine

NASA Astrophysics Data System (ADS)

Wang, Wen-Zhen; Geng, Shu-Bo; Liu, Shuang; Zhao, Dan; Jia, Xin-Gang; Wei, Hai-Long; Ismayilov, Rayyat H.; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming

2017-06-01

Through a pyrazine and naphthyridine-containing diamino ligand, N2,N7-di(pyrazin-2-yl)-1,8-naphthyridine-2,7-diamine (H2dpznda), defective extended metal atom chain complexes with one chromium(II) metal absent in centre, [Cr5(μ5-dpznda)4Cl2] (1) and [Cr5(μ5-dpznda)4(NCS)2] (2) were obtained. An electrochemistry research showed that the pentachromium(II) complexes were quite resistant to reduction although accessible to oxidation, with two reversible redox couples at E1/2 = +0.59 and +0.30 V.

Local electrical properties of n-AlInAs/i-GaInAs electron channel structures characterized by the probe-electron-beam-induced current technique.

PubMed

Watanabe, Kentaro; Nokuo, Takeshi; Chen, Jun; Sekiguchi, Takashi

2014-04-01

We developed a probe-electron-beam-induced current (probe-EBIC) technique to investigate the electrical properties of n-Al(0.48)In(0.52)As/i-Ga(0.30)In(0.70)As electron channel structures for a high-electron-mobility transistor, grown on a lattice-matched InP substrate and lattice-mismatched GaAs (001) and Si (001) substrates. EBIC imaging of planar surfaces at low magnifications revealed misfit dislocations originating from the AlInAs-graded buffer layer. The cross-sections of GaInAs channel structures on an InP substrate were studied by high-magnification EBIC imaging as well as cathodoluminescence (CL) spectroscopy. EBIC imaging showed that the structure is nearly defect-free and the carrier depletion zone extends from the channel toward the i-AlInAs buffer layer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Effects of defects in composite structures

NASA Technical Reports Server (NTRS)

Sendeckyj, G. P.

1983-01-01

The effect of defects in composite structures is addressed. Defects in laminates such as wrinkles, foreign particles, scratches and breaks are discussed. Effects of plygap plywaviness and machining defects are also studied.

Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

2018-01-01

We investigated stability and the electronic structure of extended defects including antisite domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe). Our hybrid density functional theory calculations show that stacking faults in CZTS and CZTSe induce a higher conduction band edge than the bulk counterparts, and thus the stacking faults act as electron barriers. Antisite domain boundaries, however, accumulate electrons as the conduction band edge is reduced in energy, having an opposite role. An Ising model was constructed to account for the stability of stacking faults, which shows the nearest-neighbor interaction is stronger in the case of the selenide.

Structured illumination assisted microdeflectometry with optical depth scanning capability

PubMed Central

Lu, Sheng-Huei; Hua, Hong

2018-01-01

Microdeflectometry is a powerful noncontact tool for measuring nanometer defects on a freeform surface. However, it requires a time-consuming process to take measurements at different depths for an extended depth of field (EDOF) and lacks surface information for integrating the measured gradient data to height. We propose an optical depth scanning technique to speed up the measurement process and introduce the structured illumination technique to efficiently determine the focused data among 3D observation and provide surface orientations for reconstructing an unknown surface shape. We demonstrated 3D measurements with an equivalent surface height sensitivity of 7.21 nm and an EDOF of at least 250 μm, which is 15 times that of the diffraction limited depth range. PMID:27607986

Structural, transport and microwave properties of 123/sapphire films: Thickness effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Predtechensky, MR.; Smal, A.N.; Varlamov, Y.D.

1994-12-31

The effect of thickness and growth conditions on the structure and microwave properties has been investigated for the 123/sapphire films. It has been shown that in the conditions of epitaxial growth and Al atoms do not diffuse from substrate into the film and the films with thickness up to 100nm exhibit the excellent DC properties. The increase of thickness of GdBaCuO films causes the formation of extended line-mesh defects and the increase of the surface resistance (R{sub S}). The low value of surface resistance R{sub S}(75GHz,77K)=20 mOhm has been obtained for the two layer YBaCuO/CdBaCuO/sapphire films.

Structural evolution dynamics in fusion of sumanenes and corannulenes: defects formation and self-healing mechanism

NASA Astrophysics Data System (ADS)

Sorkin, Anastassia; Su, Haibin

2018-06-01

The fusion processes of structures consisting of various combinations between sumanene and corannulene, leading to the formation of graphene nanoribbons (GNRs) under heating are simulated by density-functional-based tight-binding molecular dynamics. Distinct stages are unraveled in the course of GNR formation. Firstly, the carbon fragments coalescence into highly strained framework. Secondly, structural reconstruction invokes breaking most strained bonds to form a GNR structure containing numerous defects. Lastly, defects are remedied by the delicate ‘edge-facilitated self-healing’ process through two synergized edge-related effects: elevated mobility of defects and promoted structure reconstructions owing to the remarkable dynamics associated with edges. Importantly, detailed dynamics in the course of forming GNRs with defects and grain boundaries simulated in this work is valuable to provide better understanding at the atomistic scale of defect formation as well as self-healing in the context of the sp2 carbon network. In particular, edges play important roles in not only generating Stone–Wales (SW), 5-8-5 types of defects, 8-5-5-8 and pentagon–heptagon grain boundaries. In addition, our simulations predict the existence of one novel defect, coined as the Inverse SW defect, which is to be confirmed in future experimental studies. This study of dynamic structural evolution reveals that edges are prone to intrinsic and extrinsic modifications such as atomic-scale defects, structural distortions and inhomogeneity.

Treatment of osteomyelitis defects by a vancomycin-loaded gelatin/β-tricalcium phosphate composite scaffold

PubMed Central

Zhou, J.; Zhou, X. G.; Wang, J. W.; Zhou, H.; Dong, J.

2018-01-01

Objective In the present study, we aimed to assess whether gelatin/β-tricalcium phosphate (β-TCP) composite porous scaffolds could be used as a local controlled release system for vancomycin. We also investigated the efficiency of the scaffolds in eliminating infections and repairing osteomyelitis defects in rabbits. Methods The gelatin scaffolds containing differing amounts of of β-TCP (0%, 10%, 30% and 50%) were prepared for controlled release of vancomycin and were labelled G-TCP0, G-TCP1, G-TCP3 and G-TCP5, respectively. The Kirby-Bauer method was used to examine the release profile. Chronic osteomyelitis models of rabbits were established. After thorough debridement, the osteomyelitis defects were implanted with the scaffolds. Radiographs and histological examinations were carried out to investigate the efficiency of eliminating infections and repairing bone defects. Results The prepared gelatin/β-TCP scaffolds exhibited a homogeneously interconnected 3D porous structure. The G-TCP0 scaffold exhibited the longest duration of vancomycin release with a release duration of eight weeks. With the increase of β-TCP contents, the release duration of the β-TCP-containing composite scaffolds was decreased. The complete release of vancomycin from the G-TCP5 scaffold was achieved within three weeks. In the treatment of osteomyelitis defects in rabbits, the G-TCP3 scaffold showed the most efficacious performance in eliminating infections and repairing bone defects. Conclusions The composite scaffolds could achieve local therapeutic drug levels over an extended duration. The G-TCP3 scaffold possessed the optimal porosity, interconnection and controlled release performance. Therefore, this scaffold could potentially be used in the treatment of chronic osteomyelitis defects. Cite this article: J. Zhou, X. G. Zhou, J. W. Wang, H. Zhou, J. Dong. Treatment of osteomyelitis defects by a vancomycin-loaded gelatin/β-tricalcium phosphate composite scaffold. Bone Joint Res 2018;7:46–57. DOI: 10.1302/2046-3758.71.BJR-2017-0129.R2. PMID:29330343

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

NASA Astrophysics Data System (ADS)

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.

Advanced applications of scatterometry based optical metrology

NASA Astrophysics Data System (ADS)

Dixit, Dhairya; Keller, Nick; Kagalwala, Taher; Recchia, Fiona; Lifshitz, Yevgeny; Elia, Alexander; Todi, Vinit; Fronheiser, Jody; Vaid, Alok

2017-03-01

The semiconductor industry continues to drive patterning solutions that enable devices with higher memory storage capacity, faster computing performance, and lower cost per transistor. These developments in the field of semiconductor manufacturing along with the overall minimization of the size of transistors require continuous development of metrology tools used for characterization of these complex 3D device architectures. Optical scatterometry or optical critical dimension (OCD) is one of the most prevalent inline metrology techniques in semiconductor manufacturing because it is a quick, precise and non-destructive metrology technique. However, at present OCD is predominantly used to measure the feature dimensions such as line-width, height, side-wall angle, etc. of the patterned nano structures. Use of optical scatterometry for characterizing defects such as pitch-walking, overlay, line edge roughness, etc. is fairly limited. Inspection of process induced abnormalities is a fundamental part of process yield improvement. It provides process engineers with important information about process errors, and consequently helps optimize materials and process parameters. Scatterometry is an averaging technique and extending it to measure the position of local process induced defectivity and feature-to-feature variation is extremely challenging. This report is an overview of applications and benefits of using optical scatterometry for characterizing defects such as pitch-walking, overlay and fin bending for advanced technology nodes beyond 7nm. Currently, the optical scatterometry is based on conventional spectroscopic ellipsometry and spectroscopic reflectometry measurements, but generalized ellipsometry or Mueller matrix spectroscopic ellipsometry data provides important, additional information about complex structures that exhibit anisotropy and depolarization effects. In addition the symmetry-antisymmetry properties associated with Mueller matrix (MM) elements provide an excellent means of measuring asymmetry present in the structure. The useful additional information as well as symmetry-antisymmetry properties of MM elements is used to characterize fin bending, overlay defects and design improvements in the OCD test structures are used to boost OCDs' sensitivity to pitch-walking. In addition, the validity of the OCD based results is established by comparing the results to the top down critical dimensionscanning electron microscope (CD-SEM) and cross-sectional transmission electron microscope (TEM) images.

Single Molecules as Optical Probes for Structure and Dynamics

NASA Astrophysics Data System (ADS)

Orrit, Michel

Single molecules and single nanoparticles are convenient links between the nanoscale world and the laboratory. We discuss the limits for their optical detection by three different methods: fluorescence, direct absorption, and photothermal detection. We briefly review some recent illustrations of qualitatively new information gathered from single-molecule signals: intermittency of the fluorescence intensity, acoustic vibrations of nanoparticles (1-100 GHz) or of extended defects in molecular crystals (0.1-1 MHz), and dynamical heterogeneity in glass-forming molecular liquids. We conclude with an outlook of future uses of single-molecule methods in physical chemistry, soft matter, and material science.

Evanescent waves and deaf bands in sonic crystals

NASA Astrophysics Data System (ADS)

Romero-García, V.; Garcia-Raffi, L. M.; Sánchez-Pérez, J. V.

2011-12-01

The properties of sonic crystals (SC) are theoretically investigated in this work by solving the inverse problem k(ω) using the extended plane wave expansion (EPWE). The solution of the resulting eigenvalue problem gives the complex band structure which takes into account both the propagating and the evanescent modes. In this work we show the complete mathematical formulation of the EPWE for SC and the supercell approximation for its use in both a complete SC and a SC with defects. As an example we show a novel interpretation of the deaf bands in a complete SC in good agreement with multiple scattering simulations.

Arp2 depletion inhibits sheet-like protrusions but not linear protrusions of fibroblasts and lymphocytes

PubMed Central

Nicholson-Dykstra, Susan M.; Higgs, Henry N.

2009-01-01

The Arp2/3 complex-mediated assembly and protrusion of a branched actin network at the leading edge occurs during cell migration, although some studies suggest it is not essential. In order to test the role of Arp2/3 complex in leading edge protrusion, Swiss 3T3 fibroblasts and Jurkat T cells were depleted of Arp2 and evaluated for defects in cell morphology and spreading efficiency. Arp2-depleted fibroblasts exhibit severe defects in formation of sheet-like protrusions at early time points of cell spreading, with sheet-like protrusions limited to regions along the length of linear protrusions. However, Arp2-depleted cells are able to spread fully after extended times. Similarly, Arp2-depleted Jurkat T lymphocytes exhibit defects in spreading on anti-CD3. Interphase Jurkats in suspension are covered with large ruffle structures, whereas mitotic Jurkats are covered by finger-like linear protrusions. Arp2-depleted Jurkats exhibit defects in ruffle assembly but not in assembly of mitotic linear protrusions. Similarly, Arp2-depletion has no effect on the highly dynamic linear protrusion of another suspended lymphocyte line. We conclude that Arp2/3 complex plays a significant role in assembly of sheet-like protrusions, especially during early stages of cell spreading, but is not required for assembly of a variety of linear actin-based protrusions. PMID:18720401

Topological defects in a living nematic ensnare swimming bacteria [Linking bacterial motility and liquid crystallinity in a model of living nematic

DOE Office of Scientific and Technical Information (OSTI.GOV)

Genkin, Mikhail Mikhailovich; Sokolov, Andrey; Lavrentovich, Oleg D.

Active matter exemplified by suspensions of motile bacteria or synthetic self-propelled particles exhibits a remarkable propensity to self-organization and collective motion. The local input of energy and simple particle interactions often lead to complex emergent behavior manifested by the formation of macroscopic vortices and coherent structures with long-range order. A realization of an active system has been conceived by combining swimming bacteria and a lyotropic liquid crystal. Here, by coupling the well-established and validated model of nematic liquid crystals with the bacterial dynamics, we develop a computational model describing intricate properties of such a living nematic. In faithful agreement withmore » the experiment, the model reproduces the onset of periodic undulation of the director and consequent proliferation of topological defects with the increase in bacterial concentration. It yields a testable prediction on the accumulation of bacteria in the cores of +1/2 topological defects and depletion of bacteria in the cores of -1/2 defects. Our dedicated experiment on motile bacteria suspended in a freestanding liquid crystalline film fully confirms this prediction. Lastly, our findings suggest novel approaches for trapping and transport of bacteria and synthetic swimmers in anisotropic liquids and extend a scope of tools to control and manipulate microscopic objects in active matter.« less

Topological defects in a living nematic ensnare swimming bacteria [Linking bacterial motility and liquid crystallinity in a model of living nematic

DOE PAGES

Genkin, Mikhail Mikhailovich; Sokolov, Andrey; Lavrentovich, Oleg D.; ...

2017-03-08

Active matter exemplified by suspensions of motile bacteria or synthetic self-propelled particles exhibits a remarkable propensity to self-organization and collective motion. The local input of energy and simple particle interactions often lead to complex emergent behavior manifested by the formation of macroscopic vortices and coherent structures with long-range order. A realization of an active system has been conceived by combining swimming bacteria and a lyotropic liquid crystal. Here, by coupling the well-established and validated model of nematic liquid crystals with the bacterial dynamics, we develop a computational model describing intricate properties of such a living nematic. In faithful agreement withmore » the experiment, the model reproduces the onset of periodic undulation of the director and consequent proliferation of topological defects with the increase in bacterial concentration. It yields a testable prediction on the accumulation of bacteria in the cores of +1/2 topological defects and depletion of bacteria in the cores of -1/2 defects. Our dedicated experiment on motile bacteria suspended in a freestanding liquid crystalline film fully confirms this prediction. Lastly, our findings suggest novel approaches for trapping and transport of bacteria and synthetic swimmers in anisotropic liquids and extend a scope of tools to control and manipulate microscopic objects in active matter.« less

Effective elastic moduli of triangular lattice material with defects

NASA Astrophysics Data System (ADS)

Liu, Xiaoyu; Liang, Naigang

2012-10-01

This paper presents an attempt to extend homogenization analysis for the effective elastic moduli of triangular lattice materials with microstructural defects. The proposed homogenization method adopts a process based on homogeneous strain boundary conditions, the micro-scale constitutive law and the micro-to-macro static operator to establish the relationship between the macroscopic properties of a given lattice material to its micro-discrete behaviors and structures. Further, the idea behind Eshelby's equivalent eigenstrain principle is introduced to replace a defect distribution by an imagining displacement field (eigendisplacement) with the equivalent mechanical effect, and the triangular lattice Green's function technique is developed to solve the eigendisplacement field. The proposed method therefore allows handling of different types of microstructural defects as well as its arbitrary spatial distribution within a general and compact framework. Analytical closed-form estimations are derived, in the case of the dilute limit, for all the effective elastic moduli of stretch-dominated triangular lattices containing fractured cell walls and missing cells, respectively. Comparison with numerical results, the Hashin-Shtrikman upper bounds and uniform strain upper bounds are also presented to illustrate the predictive capability of the proposed method for lattice materials. Based on this work, we propose that not only the effective Young's and shear moduli but also the effective Poisson's ratio of triangular lattice materials depend on the number density of fractured cell walls and their spatial arrangements.

Modal Vibration Analysis of Large Castings

NASA Technical Reports Server (NTRS)

Werlink, Rudolph J.; Margasahayam, Ravi N.

2009-01-01

The art of experimental modal vibration analysis (MVA) has been extended to apply to large castings. This extension was made to enable the use of experimental MVA as a relatively inexpensive, simple means of assessing the internal structural integrity of tread shoes of crawler transporters used to move spacecraft to the launch pad at Kennedy Space Center. Each tread shoe is made from cast iron and weighs about a ton (has a mass .907 kg). The present extended version of experimental MVA could also be applied to other large castings. It could be especially useful to manufacturers as a means of rapidly discriminating against large castings that contain unacceptably large concentrations of internal defects. The use of experimental MVA to assess structural integrity is not new. What are new here are those aspects of the extension of experimental MVA that pertain to the application of MVA to objects so massive that it may not be practical or cost effective to mount them in special test fixtures that impose special test boundary conditions to test them in place under normal conditions of use.

Enhancement of ferroelectric Curie temperature in BaTiO3 films via strain-induced defect dipole alignment.

PubMed

Damodaran, Anoop R; Breckenfeld, Eric; Chen, Zuhuang; Lee, Sungki; Martin, Lane W

2014-09-01

The combination of epitaxial strain and defect engineering facilitates the tuning of the transition temperature of BaTiO3 to >800 °C. Advances in thin-film deposition enable the utilization of both the electric and elastic dipoles of defects to extend the epitaxial strain to new levels, inducing unprecedented functionality and temperature stability in ferroelectrics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces as dependent on MBE growth conditions and ex situ annealing

NASA Astrophysics Data System (ADS)

Komissarova, T. A.; Lebedev, M. V.; Sorokin, S. V.; Klimko, G. V.; Sedova, I. V.; Gronin, S. V.; Komissarov, K. A.; Calvet, W.; Drozdov, M. N.; Ivanov, S. V.

2017-04-01

A study of electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces (HI) in dependence on molecular beam epitaxy (MBE) growth conditions and post-growth annealing was performed. Initial GaAs surface reconstructions ((2 × 4)As or c(4 × 4)As) and ZnSe growth mode (MBE or migration-enhanced epitaxy (MEE)) were varied for different undoped and n-doped heterovalent structures. Although all the structures have low extended defect density (less than 106 cm-2) and rather small (less than 5 nm) atomic interdiffusion at the HI, the structural, chemical and electronic properties of the near-interface area (short-distance interdiffusion effects, dominant chemical bonds, and valence band offset values) as well as electrical properties of the n-GaAs/n-ZnSe heterovalent structures were found to be influenced strongly by the MBE growth conditions and post-growth annealing.

Carrier Decay and Diffusion Dynamics in Single-Crystalline CdTe as seen via Microphotoluminescence

NASA Astrophysics Data System (ADS)

Mascarenhas, Angelo; Fluegel, Brian; Alberi, Kirstin; Zhang, Yong-Hang

2015-03-01

The ability to spatially resolve the degree to which extended defects impact carrier diffusion lengths and lifetimes is important for determining upper limits for defect densities in semiconductor devices. We show that a new spatially and temporally resolved photoluminescence (PL) imaging technique can be used to accurately extract carrier lifetimes in the immediate vicinity of dark-line defects in CdTe/MgCdTe double heterostructures. A series of PL images captured during the decay process show that extended defects with a density of 1.4x10-5 cm-2 deplete photogenerated charge carriers from the surrounding semiconductor material on a nanosecond time scale. The technique makes it possible to elucidate the interplay between nonradiative carrier recombination and carrier diffusion and reveals that they both combine to degrade the PL intensity over a fractional area that is much larger than the physical size of the defects. Carrier lifetimes are correctly determined from numerical simulations of the decay behavior by taking these two effects into account. Our study demonstrates that it is crucial to measure and account for the influence of local defects in the measurement of carrier lifetime and diffusion, which are key transport parameters for the design and modeling of advanced solar-cell and light-emitting devices. We acknowledge the financial support of the Department of Energy Office of Science under Grant No. DE-AC36-08GO28308.

Depth dependence of defect evolution and TED during annealing

NASA Astrophysics Data System (ADS)

Colombeau, B.; Cowern, N. E. B.; Cristiano, F.; Calvo, P.; Lamrani, Y.; Cherkashin, N.; Lampin, E.; Claverie, A.

2004-02-01

A quantitative transmission electron microscopy (TEM) study on the depth profile of extended defects, formed after Si implantation, has been carried out. Two different Si + implant conditions have been considered. TEM analysis for the highest energy/dose shows that {1 1 3} defects evolve into dislocation loops whilst the defect depth distribution remains unchanged as a function of annealing time. For the lowest energy/dose, {1 1 3} defects grow and dissolve while the defect band shrinks preferentially on the surface side. At the same time, extraction of boron transient enhanced diffusion (TED) as a function of depth shows a decrease of the supersaturation towards the surface, starting at the location of the defect band. The study clearly shows that in these systems the silicon surface is the principal sink for interstitials. The results provide a critical test of the ability of physical models to simulate defect evolution and TED.

Impacts of Carrier Transport and Deep Level Defects on Delayed Cathodoluminescence in Droop-Mitigating InGaN/GaN LEDs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Zhibo; Singh, Akshay; Chesin, Jordan

Prevalent droop mitigation strategies in InGaN-based LEDs require structural and/or compositional changes in the active region but are accompanied by a detrimental reduction in external quantum efficiency (EQE) due to increased Shockley-Read-Hall recombination. Understanding the optoelectronic impacts of structural modifications in InGaN/GaN quantum wells (QW) remains critical for emerging high-power LEDs. In this work, we use a combination of electron microscopy tools along with standard electrical characterization to investigate a wide range of low-droop InGaN/GaN QW designs. We find that chip-scale EQE is uncorrelated with extended well-width fluctuations observed in scanning transmission electron microscopy. Further, we observe delayed cathodoluminescence (CL)more » response from designs in which calculated band profiles suggest facile carrier escape from individual QWs. Samples with the slowest CL responses also exhibit the lowest EQEs and highest QW defect densities in deep level optical spectroscopy. We propose a model in which the electron beam (i) passivates deep level defect states and (ii) drives charge carrier accumulation and subsequent reduction of the built-in field across the multi-QW active region, resulting in delayed radiative recombination. Finally, we correlate CL rise dynamics with capacitance-voltage measurements and show that certain early-time components of the CL dynamics reflect the open circuit carrier population within one or more QWs.« less

Effect of Processing Conditions on the Anelastic Behavior of Plasma Sprayed Thermal Barrier Coatings

NASA Astrophysics Data System (ADS)

Viswanathan, Vaishak

2011-12-01

Plasma sprayed ceramic materials contain an assortment of micro-structural defects, including pores, cracks, and interfaces arising from the droplet based assemblage of the spray deposition technique. The defective architecture of the deposits introduces a novel "anelastic" response in the coatings comprising of their non-linear and hysteretic stress-strain relationship under mechanical loading. It has been established that this anelasticity can be attributed to the relative movement of the embedded defects under varying stresses. While the non-linear response of the coatings arises from the opening/closure of defects, hysteresis is produced by the frictional sliding among defect surfaces. Recent studies have indicated that anelastic behavior of coatings can be a unique descriptor of their mechanical behavior and related to the defect configuration. In this dissertation, a multi-variable study employing systematic processing strategies was conducted to augment the understanding on various aspects of the reported anelastic behavior. A bi-layer curvature measurement technique was adapted to measure the anelastic properties of plasma sprayed ceramic. The quantification of anelastic parameters was done using a non-linear model proposed by Nakamura et.al. An error analysis was conducted on the technique to know the available margins for both experimental as well as computational errors. The error analysis was extended to evaluate its sensitivity towards different coating microstructure. For this purpose, three coatings with significantly different microstructures were fabricated via tuning of process parameters. Later the three coatings were also subjected to different strain ranges systematically, in order to understand the origin and evolution of anelasticity on different microstructures. The last segment of this thesis attempts to capture the intricacies on the processing front and tries to evaluate and establish a correlation between them and the anelastic parameters.

Topological defects in two-dimensional liquid crystals confined by a box

NASA Astrophysics Data System (ADS)

Yao, Xiaomei; Zhang, Hui; Chen, Jeff Z. Y.

2018-05-01

When a spatially uniform system that displays a liquid-crystal ordering on a two-dimensional surface is confined inside a rectangular box, the liquid crystal direction field develops inhomogeneous textures accompanied by topological defects because of the geometric frustrations. We show that the rich variety of nematic textures and defect patterns found in recent experimental and theoretical studies can be classified by the solutions of the rather fundamental, extended Onsager model. This is critically examined based on the determined free energies of different defect states, as functions of a few relevant, dimensionless geometric parameters.

Determination of defect content and defect profile in semiconductor heterostructures

NASA Astrophysics Data System (ADS)

Zubiaga, A.; Garcia, J. A.; Plazaola, F.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2011-01-01

In this article we present an overview of the technique to obtain the defects depth profile and width of a deposited layer and multilayer based on positron annihilation spectroscopy. In particular we apply the method to ZnO and ZnO/ZnCdO layers deposited on sapphire substrates. After introducing some terminology we first calculate the trend that the W/S parameters of the Doppler broadening measurements must follow, both in a qualitative and quantitative way. From this point we extend the results to calculate the width and defect profiles in deposited layer samples.

Optical investigation of microscopic defect distribution in semi-polar (1-101 and 11-22) InGaN light-emitting diodes

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Andrade, Nicolas; Monavarian, Morteza; Izyumskaya, Natalia; Das, Saikat; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2016-02-01

Near-field scanning optical microscopy was applied to investigate the spatial variations of extended defects and their effects on the optical quality for semi-polar (1-101) and (11-22) InGaN light emitting diodes (LEDs). (1-101) and (11-22) oriented InGaN LEDs emitting at 450-470 nm were grown on patterned Si (001) 7° offcut substrates and m-sapphire substrates by means of nano-epitaxial lateral overgrowth (ELO), respectively. For (1-101) structures, the photoluminescence (PL) at 85 K from the near surface c+ wings was found to be relatively uniform and strong across the sample. However, emission from the c- wings was substantially weaker due to the presence of high density of threading dislocations (TDs) and basal plane stacking faults (BSFs) as revealed from the local PL spectra. In case of (11-22) LED structures, near-field PL intensity correlated with the surface features and the striations along the direction parallel to the c-axis projection exposed facets where the Indium content was higher as deduced from shift in the PL peak energy.

Nondestructive evaluation using dipole model analysis with a scan type magnetic camera

NASA Astrophysics Data System (ADS)

Lee, Jinyi; Hwang, Jiseong

2005-12-01

Large structures such as nuclear power, thermal power, chemical and petroleum refining plants are drawing interest with regard to the economic aspect of extending component life in respect to the poor environment created by high pressure, high temperature, and fatigue, securing safety from corrosion and exceeding their designated life span. Therefore, technology that accurately calculates and predicts degradation and defects of aging materials is extremely important. Among different methods available, nondestructive testing using magnetic methods is effective in predicting and evaluating defects on the surface of or surrounding ferromagnetic structures. It is important to estimate the distribution of magnetic field intensity for applicable magnetic methods relating to industrial nondestructive evaluation. A magnetic camera provides distribution of a quantitative magnetic field with a homogeneous lift-off and spatial resolution. It is possible to interpret the distribution of magnetic field when the dipole model was introduced. This study proposed an algorithm for nondestructive evaluation using dipole model analysis with a scan type magnetic camera. The numerical and experimental considerations of the quantitative evaluation of several sizes and shapes of cracks using magnetic field images of the magnetic camera were examined.

Change in Stripes for Cholesteric Shells via Anchoring in Moderation

NASA Astrophysics Data System (ADS)

Tran, Lisa; Lavrentovich, Maxim O.; Durey, Guillaume; Darmon, Alexandre; Haase, Martin F.; Li, Ningwei; Lee, Daeyeon; Stebe, Kathleen J.; Kamien, Randall D.; Lopez-Leon, Teresa

2017-10-01

Chirality, ubiquitous in complex biological systems, can be controlled and quantified in synthetic materials such as cholesteric liquid crystal (CLC) systems. In this work, we study spherical shells of CLC under weak anchoring conditions. We induce anchoring transitions at the inner and outer boundaries using two independent methods: by changing the surfactant concentration or by raising the temperature close to the clearing point. The shell confinement leads to new states and associated surface structures: a state where large stripes on the shell can be filled with smaller, perpendicular substripes, and a focal conic domain (FCD) state, where thin stripes wrap into at least two, topologically required, double spirals. Focusing on the latter state, we use a Landau-de Gennes model of the CLC to simulate its detailed configurations as a function of anchoring strength. By abruptly changing the topological constraints on the shell, we are able to study the interconversion between director defects and pitch defects, a phenomenon usually restricted by the complexity of the cholesteric phase. This work extends the knowledge of cholesteric patterns, structures that not only have potential for use as intricate, self-assembly blueprints but are also pervasive in biological systems.

Nanometer-scale surface potential and resistance mapping of wide-bandgap Cu(In,Ga)Se2 thin films

NASA Astrophysics Data System (ADS)

Jiang, C.-S.; Contreras, M. A.; Mansfield, L. M.; Moutinho, H. R.; Egaas, B.; Ramanathan, K.; Al-Jassim, M. M.

2015-01-01

We report microscopic characterization studies of wide-bandgap Cu(In,Ga)Se2 photovoltaic thin films using the nano-electrical probes of scanning Kelvin probe force microscopy and scanning spreading resistance microscopy. With increasing bandgap, the potential imaging shows significant increases in both the large potential features due to extended defects or defect aggregations and the potential fluctuation due to unresolvable point defects with single or a few charges. The resistance imaging shows increases in both overall resistance and resistance nonuniformity due to defects in the subsurface region. These defects are expected to affect open-circuit voltage after the surfaces are turned to junction upon device completion.

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

PubMed

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.

Transcriptomic analysis of swarm motility phenotype of Salmonella enterica serovar Typhimurium mutant defective in periplasmic glucan synthesis

USDA-ARS?s Scientific Manuscript database

Movement of food-borne pathogens on moist surfaces enables them to migrate towards more favorable niches and facilitate their survival for extended periods of time. Salmonella enterica serovar Typhimurium mutants defective in OPG synthesis are unable to exhibit motility on moist surfaces (swarming) ...

Numerical analysis of a main crack interactions with micro-defects/inhomogeneities using two-scale generalized/extended finite element method

NASA Astrophysics Data System (ADS)

Malekan, Mohammad; Barros, Felício B.

2017-12-01

Generalized or extended finite element method (G/XFEM) models the crack by enriching functions of partition of unity type with discontinuous functions that represent well the physical behavior of the problem. However, this enrichment functions are not available for all problem types. Thus, one can use numerically-built (global-local) enrichment functions to have a better approximate procedure. This paper investigates the effects of micro-defects/inhomogeneities on a main crack behavior by modeling the micro-defects/inhomogeneities in the local problem using a two-scale G/XFEM. The global-local enrichment functions are influenced by the micro-defects/inhomogeneities from the local problem and thus change the approximate solution of the global problem with the main crack. This approach is presented in detail by solving three different linear elastic fracture mechanics problems for different cases: two plane stress and a Reissner-Mindlin plate problems. The numerical results obtained with the two-scale G/XFEM are compared with the reference solutions from the analytical, numerical solution using standard G/XFEM method and ABAQUS as well, and from the literature.

Temperature Distribution Within a Defect-Free Silicon Carbide Diode Predicted by a Computational Model

NASA Technical Reports Server (NTRS)

Kuczmarski, Maria A.; Neudeck, Philip G.

2000-01-01

Most solid-state electronic devices diodes, transistors, and integrated circuits are based on silicon. Although this material works well for many applications, its properties limit its ability to function under extreme high-temperature or high-power operating conditions. Silicon carbide (SiC), with its desirable physical properties, could someday replace silicon for these types of applications. A major roadblock to realizing this potential is the quality of SiC material that can currently be produced. Semiconductors require very uniform, high-quality material, and commercially available SiC tends to suffer from defects in the crystalline structure that have largely been eliminated in silicon. In some power circuits, these defects can focus energy into an extremely small area, leading to overheating that can damage the device. In an effort to better understand the way that these defects affect the electrical performance and reliability of an SiC device in a power circuit, the NASA Glenn Research Center at Lewis Field began an in-house three-dimensional computational modeling effort. The goal is to predict the temperature distributions within a SiC diode structure subjected to the various transient overvoltage breakdown stresses that occur in power management circuits. A commercial computational fluid dynamics computer program (FLUENT-Fluent, Inc., Lebanon, New Hampshire) was used to build a model of a defect-free SiC diode and generate a computational mesh. A typical breakdown power density was applied over 0.5 msec in a heated layer at the junction between the p-type SiC and n-type SiC, and the temperature distribution throughout the diode was then calculated. The peak temperature extracted from the computational model agreed well (within 6 percent) with previous first-order calculations of the maximum expected temperature at the end of the breakdown pulse. This level of agreement is excellent for a model of this type and indicates that three-dimensional computational modeling can provide useful predictions for this class of problem. The model is now being extended to include the effects of crystal defects. The model will provide unique insights into how high the temperature rises in the vicinity of the defects in a diode at various power densities and pulse durations. This information also will help researchers in understanding and designing SiC devices for safe and reliable operation in high-power circuits.

[Antegrade extended peroneal artery perforator flap for knee reconstruction].

PubMed

Ruan, Hongjiang; Cai, Peihua; Fan, Cunyi; Chai, Yimin; Liu, Shenghe

2009-03-01

To investigate the operative technique and clinical results of repairing the soft tissue defects of knee with antegrade extended peroneal artery perforator flap. From October 2007 to January 2008, 3 patients (2 men and 1 woman) with the soft tissue defects of knee were treated, with the ages of 18, 31 and 42 years, respectively. The first case sustained femur and pelvis fractures and soft tissue defect over his right popliteal fossa, which were treated with open reduction and internal fixation (ORIF) and debridement of knee joint 2 weeks ago. The second case was necrosis of skin 3 weeks after ORIF for fracture of tibial plateau. The third case suffered from open fracture of tibial plateau and soft tissue defect, which were treated with external fixation and debridement 3 weeks ago. The defect sizes were 16 cm x 9 cm, 11 cm x 6 cm and 14 cm x 7 cm. The flap was raised by dividing the peroneal artery and veins distally and elevating them proximally, which covered for the defects of knee. The flaps were designed with the size of 18 cm x 10 cm, 12 cm 7 cm and 15 cm x 8 cm. The pure vascular pedicle of the flap was 10 cm to 17 cm in length, including the peroneal vessels and one or two perforator branches. The donor site is covered by a split thickness skin graft. All flaps survived after surgery. The donor sites healed by first intention and the skin grafts survived. After following up for 6, 8 and 11 months, the appearance and function of the flaps were all satisfactory. Based on the modified HSS knee performance system, post-operative knee functional outcomes of three patients were excellent. The antegrade extended peroneal artery perforator flap supplied by a pure vascular pedicle can be a good alternative for reconstruction of knee. The flap, with a long and thin pure vascular pedicle, could provide good texture and contour matching the recipient area.

Extending Strong Scaling of Quantum Monte Carlo to the Exascale

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Baczewski, Andrew; Luo, Ye; Romero, Nichols; Kent, Paul

Quantum Monte Carlo is one of the most accurate and most computationally expensive methods for solving the electronic structure problem. In spite of its significant computational expense, its massively parallel nature is ideally suited to petascale computers which have enabled a wide range of applications to relatively large molecular and extended systems. Exascale capabilities have the potential to enable the application of QMC to significantly larger systems, capturing much of the complexity of real materials such as defects and impurities. However, both memory and computational demands will require significant changes to current algorithms to realize this possibility. This talk will detail both the causes of the problem and potential solutions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corp, a wholly owned subsidiary of Lockheed Martin Corp, for the US Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

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

NASA Astrophysics Data System (ADS)

Varney, Michael C. M.

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

Chiral filtration-induced spin/valley polarization in silicene line defects

NASA Astrophysics Data System (ADS)

Ren, Chongdan; Zhou, Benhu; Sun, Minglei; Wang, Sake; Li, Yunfang; Tian, Hongyu; Lu, Weitao

2018-06-01

The spin/valley polarization in silicene with extended line defects is investigated according to the chiral filtration mechanism. It is shown that the inner-built quantum Hall pseudo-edge states with identical chirality can serve as a chiral filter with a weak magnetic field and that the transmission process is restrained/strengthened for chiral states with reversed/identical chirality. With two parallel line defects, which act as natural chiral filtration, the filter effect is greatly enhanced, and 100% spin/valley polarization can be achieved.

Increasing reticle inspection efficiency and reducing wafer print-checks using automated defect classification and simulation

NASA Astrophysics Data System (ADS)

Ryu, Sung Jae; Lim, Sung Taek; Vacca, Anthony; Fiekowsky, Peter; Fiekowsky, Dan

2013-09-01

IC fabs inspect critical masks on a regular basis to ensure high wafer yields. These requalification inspections are costly for many reasons including the capital equipment, system maintenance, and labor costs. In addition, masks typically remain in the "requal" phase for extended, non-productive periods of time. The overall "requal" cycle time in which reticles remain non-productive is challenging to control. Shipping schedules can slip when wafer lots are put on hold until the master critical layer reticle is returned to production. Unfortunately, substituting backup critical layer reticles can significantly reduce an otherwise tightly controlled process window adversely affecting wafer yields. One major requal cycle time component is the disposition process of mask inspections containing hundreds of defects. Not only is precious non-productive time extended by reviewing hundreds of potentially yield-limiting detections, each additional classification increases the risk of manual review techniques accidentally passing real yield limiting defects. Even assuming all defects of interest are flagged by operators, how can any person's judgment be confident regarding lithographic impact of such defects? The time reticles spend away from scanners combined with potential yield loss due to lithographic uncertainty presents significant cycle time loss and increased production costs. Fortunately, a software program has been developed which automates defect classification with simulated printability measurement greatly reducing requal cycle time and improving overall disposition accuracy. This product, called ADAS (Auto Defect Analysis System), has been tested in both engineering and high-volume production environments with very successful results. In this paper, data is presented supporting significant reduction for costly wafer print checks, improved inspection area productivity, and minimized risk of misclassified yield limiting defects.

Semiconducting large bandgap oxides as potential thermoelectric materials for high-temperature power generation?

NASA Astrophysics Data System (ADS)

Backhaus-Ricoult, M.; Rustad, J.; Moore, L.; Smith, C.; Brown, J.

2014-08-01

Semiconducting large bandgap oxides are considered as interesting candidates for high-temperature thermoelectric power generation (700-1,200 °C) due to their stability, lack of toxicity and low cost, but so far they have not reached sufficient performance for extended application. In this review, we summarize recent progress on thermoelectric oxides, analyze concepts for tuning semiconductor thermoelectric properties with view of their applicability to oxides and determine key drivers and limitations for electrical and thermal transport properties in oxides based on our own experimental work and literature results. For our experimental assessment, we have selected representative multicomponent oxides that range from materials with highly symmetric crystal structure (SrTiO3 perovskite) over oxides with large densities of planar crystallographic defects (Ti n O2 n-1 Magnéli phases with a single type of shear plane, NbO x block structures with intersecting shear planes and WO3- x with more defective block and channel structures) to layered superstructures (Ca3Co4O9 and double perovskites) and also include a wide range of their composites with a variety of second phases. Crystallographic or microstructural features of these oxides are in 0.3-2 nm size range, so that oxide phonons can efficiently interact with them. We explore in our experiments the effects of doping, grain size, crystallographic defects, superstructures, second phases, texturing and (to a limited extend) processing on electric conductivity, Seebeck coefficient, thermal conductivity and figure of merit. Jonker and lattice-versus-electrical conductivity plots are used to compare specific materials and material families and extract levers for future improvement of oxide thermoelectrics. We show in our work that oxygen vacancy doping (reduction) is a more powerful driver for improving the power factor for SrTiO3, TiO2 and NbO x than heterovalent doping. Based on our Seebeck-conductivity plots, we derived a set of highest achievable power factors. We met these best values in our own experiments for our titanium oxide- and niobium oxide-based materials. For strontium titanate-based materials, the estimated highest power factor was not reached; further material improvement is possible and can be reached for materials with higher carrier densities. Our results show that periodic crystallographic defects and superstructures are most efficient in reducing the lattice thermal conductivity in oxides, followed by hetero- and homovalent doping. Due to the small phonon mean free path in oxides, grain boundary scattering in nanoceramics or materials with nanodispersions is much less efficient. We investigated the impact of texturing in Ca3Co4O9 ceramics on thermoelectric performance; we did not find any improvement in the overall in-plane performance of a textured ceramic compared to the corresponding random ceramic.

Tight-binding calculation studies of vacancy and adatom defects in graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Wei; Lu, Wen-Cai; Zhang, Hong-Xing

2016-02-19

Computational studies of complex defects in graphene usually need to deal with a larger number of atoms than the current first-principles methods can handle. We show a recently developed three-center tight-binding potential for carbon is very efficient for large scale atomistic simulations and can accurately describe the structures and energies of various defects in graphene. Using the three-center tight-binding potential, we have systematically studied the stable structures and formation energies of vacancy and embedded-atom defects of various sizes up to 4 vacancies and 4 embedded atoms in graphene. In conclusion, our calculations reveal low-energy defect structures and provide a moremore » comprehensive understanding of the structures and stability of defects in graphene.« less

PREFACE: EDS2010 Preface

NASA Astrophysics Data System (ADS)

Heggie, Malcolm I.

2011-03-01

The biennial international conference on Extended Defects in Semiconductors started in 1978 with a meeting in Hünfeld, Germany. Subsequent meetings rotated between Poland, France, Great Britain, Germany, Russia and Italy, culminating in EDS2004 in Chernogolovka, EDS2006 in Halle and EDS2008 in Poitiers. EDS2010 was held at the University of Sussex at Brighton, UK from September 19th to 24th. An extension of the tabulation of this history, which first appeared on the EDS2006 website, is given in the attached PDF. It is with sadness that we note one of the founders of the series, Prof. Dr Helmut Alexander, passed away on 3 December 2009 and we were proud to dedicate EDS2010 to his memory. It has become a tradition to make an award in his name, and this year it was made to Ivan Isacov for his poster "Electrical levels of dislocation networks in p- and n-type silicon". A short and warm celebration of Prof. Dr Alexander's life by his friends and colleagues, Prof. Drs Helmut Gottschalk, Eicke Weber and Wolfgang Schröter, is included in this volume. The conference was a forum for the state-of-the-art of investigation and modelling of extended defects in semiconductors. Scientists from universities, research institutes and industry made contributions to a deeper understanding of extended defects, their interaction with point defects and their role in the development of semiconductor technology. The remit of the conference included extended defects, nanostructures, nanoparticles, quantum dots and interfaces within semiconducting materials ranging from narrow to wide band gaps, including graphene-derived materials and diamond. Scientific interests range from defect geometry, electronic structure, dynamics, spectroscopy, microscopy, reactions and chemistry to introduction mechanisms, such as implantation and strained layers and the operation of devices such as integrated circuits, heterostructures, and solar cells. The organisers were confronted with a long period between the afternoon outing to Arundel Castle and dinner in the evening at Wiston House, a mansion of Tudor origin near Steyning, West Sussex. So a short audience-participation seminar was held in the conference room of the manor, covering the history of dislocations and the history of the conference series. We were also able to extend the appreciation of the life of Prof. Yuri Ossipyan (15 Feb 1931 - 10 Sep 2008) briefly given at EDS2008. EDS2010 continued the drive into graphene-based materials with a session devoted to them, and it gave immense pleasure to many of us who were his former students to dedicate a session to the work of Professor R Jones. We are grateful to his present and former co-workers who came and presented an impressive perspective on their work with him and a vision of a vigorous future for him in his retirement and for AIMPRO, the current Density Functional Theory code that derives from the one he established with his former student, Dr Patrick Briddon. For EDS2010 we made two minor modifications to the appearance of the conference: a central webpage www.eds-conferences.org, ably managed by our webmaster, Dr Gemma Haffenden, and a Facebook page, "EDS conference series", which Dr Amy Gandy runs enthusiastically. Amongst other things the conference photographs appear here. "I like this". In fact, currently 22 FB-ers "like this" and I am sure it will grow. Finally, it is a pleasure to acknowledge the significant contributions of Co-Chair, Prof. Marek Skowronski, Conference Manager, Dr Christopher Latham, and the editors of this volume, Drs Jon Goss and Chris Ewels, who in turn wish to thank Dr Alexis Vlandas for his help proof reading the articles. We all wish the best of luck to Prof. Philomela Khomninou and her team in the organisation of EDS2012.

Box 6: Nanoscale Defects

NASA Astrophysics Data System (ADS)

Alves, Eduardo; Breese, Mark

Defects affect virtually all properties of crystalline materials, and their role is magnified in nanoscale structures. In this box we describe the different type of defects with particular emphasis on point and linear defects. Above zero Kelvin all real materials have a defect population within their structure, which affects either their crystalline, electronic or optical properties. It is common to attribute a negative connotation to the presence of defects. However, a perfect silicon crystal or any other defect-free semiconductor would have a limited functionality and might even be useless.

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

NASA Astrophysics Data System (ADS)

Majidi, Soleyman; Achour, Amine; Rai, D. P.; Nayebi, Payman; Solaymani, Shahram; Beryani Nezafat, Negin; Elahi, Seyed Mohammad

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

Propagation characteristics of ultrasonic guided waves in continuously welded rail

NASA Astrophysics Data System (ADS)

Yao, Wenqing; Sheng, Fuwei; Wei, Xiaoyuan; Zhang, Lei; Yang, Yuan

2017-07-01

Rail defects cause numerous railway accidents. Trains are derailed and serious consequences often occur. Compared to traditional bulk wave testing, ultrasonic guided waves (UGWs) can provide larger monitoring ranges and complete coverage of the waveguide cross-section. These advantages are of significant importance for the non-destructive testing (NDT) of the continuously welded rail, and the technique is therefore widely used in high-speed railways. UGWs in continuous welded rail (CWR) and their propagation characteristics have been discussed in this paper. Finite element methods (FEMs) were used to accomplish a vibration modal analysis, which is extended by a subsequent dispersion analysis. Wave structure features were illustrated by displacement profiles. It was concluded that guided waves have the ability to detect defects in the rail via choice of proper mode and frequency. Additionally, thermal conduction that is caused by temperature variation in the rail is added into modeling and simulation. The results indicated that unbalanced thermal distribution may lead to the attenuation of UGWs in the rail.

VCP-dependent muscle degeneration is linked to defects in a dynamic tubular lysosomal network in vivo

PubMed Central

Johnson, Alyssa E; Shu, Huidy; Hauswirth, Anna G; Tong, Amy; Davis, Graeme W

2015-01-01

Lysosomes are classically viewed as vesicular structures to which cargos are delivered for degradation. Here, we identify a network of dynamic, tubular lysosomes that extends throughout Drosophila muscle, in vivo. Live imaging reveals that autophagosomes merge with tubular lysosomes and that lysosomal membranes undergo extension, retraction, fusion and fission. The dynamics and integrity of this tubular lysosomal network requires VCP, an AAA-ATPase that, when mutated, causes degenerative diseases of muscle, bone and neurons. We show that human VCP rescues the defects caused by loss of Drosophila VCP and overexpression of disease relevant VCP transgenes dismantles tubular lysosomes, linking tubular lysosome dysfunction to human VCP-related diseases. Finally, disruption of tubular lysosomes correlates with impaired autophagosome-lysosome fusion, increased cytoplasmic poly-ubiquitin aggregates, lipofuscin material, damaged mitochondria and impaired muscle function. We propose that VCP sustains sarcoplasmic proteostasis, in part, by controlling the integrity of a dynamic tubular lysosomal network. DOI: http://dx.doi.org/10.7554/eLife.07366.001 PMID:26167652

Structural, optical, and LED characteristics of ZnO and Al doped ZnO thin films

NASA Astrophysics Data System (ADS)

Sandeep, K. M.; Bhat, Shreesha; Dharmaprakash, S. M.

2017-05-01

ZnO (pristine) and Al doped ZnO (AZO) films were prepared using sol-gel spin coating method. The XRD analysis showed the enhanced compressive stress in AZO film. The presence of extended states below the conduction band edge in AZO accounts for the redshift in optical bandgap. The PL spectra of AZO showed significant blue emission due to the carrier recombination from defect states. The TRPL curves showed the dominant DAP recombination in ZnO film, whereas defect related recombination in Al doped ZnO film. Color parameters viz: the dominant wavelength, color coordinates (x,y), color purity, luminous efficiency and correlated color temperature (CCT) of ZnO and AZO films are calculated using 1931 (CIE) diagram. Further, a strong blue emission with color purity more than 96% is observed in both the films. The enhanced blue emission in AZO significantly increased the luminous efficiency (22.8%) compared to ZnO film (10.8%). The prepared films may be used as blue phosphors in white light generation.

Post-traumatic orbital reconstruction: anatomical landmarks and the concept of the deep orbit.

PubMed

Evans, B T; Webb, A A C

2007-04-01

Dissection deep within the orbit is a cause for concern to surgeons because of the perceived risks of injuring critical structures such as the contents of the superior orbital fissure and the optic nerve. Although "safe distances" (those distances within which it is considered safe to dissect within the orbit) have been described, these are of limited value if the orbit is severely disrupted or is congenitally shallow. In addition, traumatic defects in the orbital floor, in particular, often extend beyond these distances. Reliable landmarks based on the relations between anatomical structures within the orbit, rather than absolute distances, are described that permit safe dissection within the orbit. We present the concept of the deep orbit and describe its relevance to repair of injuries.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bearmore » important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond

NASA Astrophysics Data System (ADS)

Olivier, E. J.; Neethling, J. H.; Kroon, R. E.; Naidoo, S. R.; Allen, C. S.; Sawada, H.; van Aken, P. A.; Kirkland, A. I.

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Imaging the atomic structure and local chemistry of platelets in natural type Ia diamond.

PubMed

Olivier, E J; Neethling, J H; Kroon, R E; Naidoo, S R; Allen, C S; Sawada, H; van Aken, P A; Kirkland, A I

2018-03-01

In the past decades, many efforts have been devoted to characterizing {001} platelet defects in type Ia diamond. It is known that N is concentrated at the defect core. However, an accurate description of the atomic structure of the defect and the role that N plays in it is still unknown. Here, by using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy we have determined the atomic arrangement within platelet defects in a natural type Ia diamond and matched it to a prevalent theoretical model. The platelet has an anisotropic atomic structure with a zigzag ordering of defect pairs along the defect line. The electron energy-loss near-edge fine structure of both carbon K- and nitrogen K-edges obtained from the platelet core is consistent with a trigonal bonding arrangement at interstitial sites. The experimental observations support an interstitial aggregate mode of formation for platelet defects in natural diamond.

Insights from imaging the implanting embryo and the uterine environment in three dimensions

PubMed Central

Arora, Ripla; Fries, Adam; Oelerich, Karina; Marchuk, Kyle; Sabeur, Khalida; Giudice, Linda C.

2016-01-01

Although much is known about the embryo during implantation, the architecture of the uterine environment in which the early embryo develops is not well understood. We employed confocal imaging in combination with 3D analysis to identify and quantify dynamic changes to the luminal structure of murine uterus in preparation for implantation. When applied to mouse mutants with known implantation defects, this method detected striking peri-implantation abnormalities in uterine morphology that cannot be visualized by histology. We revealed 3D organization of uterine glands and found that they undergo a stereotypical reorientation concurrent with implantation. Furthermore, we extended this technique to generate a 3D rendering of the cycling human endometrium. Analyzing the uterine and embryo structure in 3D for different genetic mutants and pathological conditions will help uncover novel molecular pathways and global structural changes that contribute to successful implantation of an embryo. PMID:27836961

Effective response theory for zero-energy Majorana bound states in three spatial dimensions

NASA Astrophysics Data System (ADS)

Lopes, Pedro L. e. S.; Teo, Jeffrey C. Y.; Ryu, Shinsei

2015-05-01

We propose a gravitational response theory for point defects (hedgehogs) binding Majorana zero modes in (3 + 1)-dimensional superconductors. Starting in 4 + 1 dimensions, where the point defect is extended into a line, a coupling of the bulk defect texture with the gravitational field is introduced. Diffeomorphism invariance then leads to an S U (2) 2 Kac-Moody current running along the defect line. The S U (2) 2 Kac-Moody algebra accounts for the non-Abelian nature of the zero modes in 3 + 1 dimensions. It is then shown to also encode the angular momentum density which permeates throughout the bulk between hedgehog-antihedgehog pairs.

[The cutaneous groin flap for coverage of a full-thickness abdominal wall defect].

PubMed

Doebler, O; Spierer, R

2010-08-01

A full-thickness defect of the abdominal wall is rare and may occur as a complication of extended abdominal surgery procedures. We report about a 69-year-old patient who was presented to our department with a full-thickness abdominal wall defect and a fully exposed collagen-mesh for reconstructive wound closure. 13 operations with resections of necrotic parts of the abdominal wall were performed following a complicated intraabdominal infection. After debridement and mesh explantation, closure of the remaining defect of the lower abdominal region was achieved by a cutaneous groin flap. Georg Thieme Verlag KG Stuttgart New York.

Acoustic Guided Wave Testing of Pipes of Small Diameters

NASA Astrophysics Data System (ADS)

Muravev, V. V.; Muraveva, O. V.; Strizhak, V. A.; Myshkin, Y. V.

2017-10-01

Acoustic path is analyzed and main parameters of guided wave testing are substanti- ated applied to pipes of small diameters. The method is implemented using longitudinal L(0,1) and torsional T(0,1) waves based on electromagnetic-acoustic (EMA) transducers. The method of multiple reflections (MMR) combines echo-through, amplitude-shadow and time-shadow methods. Due to the effect of coherent amplification of echo-pulses from defects the sensitivity to the defects of small sizes at the signal analysis on the far reflections is increased. An oppor- tunity of detection of both local defects (dents, corrosion damages, rolling features, pitting, cracks) and defects extended along the pipe is shown.

Cooperation enhanced by indirect reciprocity in spatial prisoner's dilemma games for social P2P systems

NASA Astrophysics Data System (ADS)

Tian, Lin-Lin; Li, Ming-Chu; Wang, Zhen

2016-11-01

With the growing interest in social Peer-to-Peer (P2P) applications, relationships of individuals are further exploited to improve the performances of reputation systems. It is an on-going challenge to investigate how spatial reciprocity aids indirect reciprocity in sustaining cooperation in practical P2P environments. This paper describes the construction of an extended prisoner's dilemma game on square lattice networks with three strategies, i.e., defection, unconditional cooperation, and reciprocal cooperation. Reciprocators discriminate partners according to their reputations based on image scoring, where mistakes in judgment of reputations may occur. The independent structures of interaction and learning neighborhood are discussed, with respect to the situation in which learning environments differ from interaction networks. The simulation results have indicated that the incentive mechanism enhances cooperation better in structured peers than among a well-mixed population. Given the realistic condition of inaccurate reputation scores, defection is still successfully held down when the players interact and learn within the unified neighborhoods. Extensive simulations have further confirmed the positive impact of spatial structure on cooperation with different sizes of lattice neighborhoods. And similar conclusions can also be drawn on regular random networks and scale-free networks. Moreover, for the separated structures of the neighborhoods, the interaction network has a critical effect on the evolution dynamics of cooperation and learning environments only have weaker impacts on the process. Our findings further provide some insights concerning the evolution of collective behaviors in social systems.

Evaluation of Advanced Signal Processing Techniques to Improve Detection and Identification of Embedded Defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clayton, Dwight A.; Santos-Villalobos, Hector J.; Baba, Justin S.

By the end of 1996, 109 Nuclear Power Plants were operating in the United States, producing 22% of the Nation’s electricity [1]. At present, more than two thirds of these power plants are more than 40 years old. The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years [2]. The most important safety structures in an NPP are constructed of concrete. The structures generallymore » do not allow for destructive evaluation and access is limited to one side of the concrete element. Therefore, there is a need for techniques and technologies that can assess the internal health of complex, reinforced concrete structures nondestructively. Previously, we documented the challenges associated with Non-Destructive Evaluation (NDE) of thick, reinforced concrete sections and prioritized conceptual designs of specimens that could be fabricated to represent NPP concrete structures [3]. Consequently, a 7 feet tall, by 7 feet wide, by 3 feet and 4-inch-thick concrete specimen was constructed with 2.257-inch-and 1-inch-diameter rebar every 6 to 12 inches. In addition, defects were embedded the specimen to assess the performance of existing and future NDE techniques. The defects were designed to give a mix of realistic and controlled defects for assessment of the necessary measures needed to overcome the challenges with more heavily reinforced concrete structures. Information on the embedded defects is documented in [4]. We also documented the superiority of Frequency Banded Decomposition (FBD) Synthetic Aperture Focusing Technique (SAFT) over conventional SAFT when probing defects under deep concrete cover. Improvements include seeing an intensity corresponding to a defect that is either not visible at all in regular, full frequency content SAFT, or an improvement in contrast over conventional SAFT reconstructed images. This report documents our efforts in four fronts: 1) Comparative study between traditional SAFT and FBD SAFT for concrete specimen with and without Alkali-Silica Reaction (ASR) damage, 2) improvement of our Model-Based Iterative Reconstruction (MBIR) for thick reinforced concrete [5], 3) development of a universal framework for sharing, reconstruction, and visualization of ultrasound NDE datasets, and 4) application of machine learning techniques for automated detection of ASR inside concrete. Our comparative study between FBD and traditional SAFT reconstruction images shows a clear difference between images of ASR and non-ASR specimens. In particular, the left first harmonic shows an increased contrast and sensitivity to ASR damage. For MBIR, we show the superiority of model-based techniques over delay and sum techniques such as SAFT. Improvements include elimination of artifacts caused by direct arrival signals, and increased contrast and Signal to Noise Ratio. For the universal framework, we document a format for data storage based on the HDF5 file format, and also propose a modular Graphic User Interface (GUI) for easy customization of data conversion, reconstruction, and visualization routines. Finally, two techniques for ASR automated detection are presented. The first technique is based on an analysis of the frequency content using Hilbert Transform Indicator (HTI) and the second technique employees Artificial Neural Network (ANN) techniques for training and classification of ultrasound data as ASR or non-ASR damaged classes. The ANN technique shows great potential with classification accuracy above 95%. These approaches are extensible to the detection of additional reinforced, thick concrete defects and damage.« less

7 CFR 51.1175 - Classification of defects.

Code of Federal Regulations, 2010 CFR

2010-01-01

... the surface. Creasing Materially weakens the skin, or extends over more than one-third of the surface Seriously weakens the skin, or extends over more than one-half of the surface Very seriously weakens the skin, or is distributed over practically the entire surface. Dryness or mushy condition Affecting all...

Defected red blood cell membranes and direct correlation with the uraemic milieu: the connection with the decreased red blood cell lifespan observed in haemodialysis patients

NASA Astrophysics Data System (ADS)

Stamopoulos, D.; Grapsa, E.; Manios, E.; Gogola, V.; Bakirtzi, N.

2012-12-01

Together with impaired production of erythropoietin and iron deficiency, the decreased lifespan of red blood cells (RBCs) is a main factor contributing to the chronic anaemia observed in haemodialysis (HD) patients. Atomic force microscopy is employed in this work to thoroughly survey the membrane of intact RBCs (iRBCs) of HD patients in comparison to those of healthy donors, aiming to obtain direct information on the structural status of RBCs that can be related to their decreased lifespan. We observed that the iRBC membrane of the HD patients is overpopulated with extended circular defects, termed ‘orifices’, that have typical dimension ranging between 0.2 and 1.0 μm. The ‘orifice’ index—that is, the mean population of ‘orifices’ per top membrane surface—exhibits a pronounced relative increase of order 54 ± 12% for the HD patients as compared to healthy donors. Interestingly, for the HD patients, the ‘orifice’ index, which relates to the structural status of the RBC membrane, correlates strongly with urea concentration, which is a basic index of the uraemic milieu. Thus, these results indicate that the uraemic milieu downgrades the structural status of the RBC membrane, possibly triggering biochemical processes that result in their premature elimination from the circulation. This process could decrease the lifespan of RBCs, as observed in HD patients.

Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence† †Electronic supplementary information (ESI) available: General details, synthesis and spectroscopy data of new compounds. Experimental details on optical, chiroptical, electrochemical and on-surface measurements. Crystal data and structure refinement of compounds 1, and 6. Further details on theoretical calculations and Cartesian coordinates of computed structures. VT-H1NMR, 2D-NMR and HRMS spectra of 1. CCDC 1561552 and 1561553. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc00427g

PubMed Central

Cruz, Carlos M.; Márquez, Irene R.; Mariz, Inês F. A.; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M.; Martín-Gago, José A.; Cuerva, Juan M.

2018-01-01

Herein we describe a distorted ribbon-shaped nanographene exhibiting unprecedented combination of optical properties in graphene-related materials, namely upconversion based on two-photon absorption (TPA-UC) together with circularly polarized luminescence (CPL). The compound is a graphene molecule of ca. 2 nm length and 1 nm width with edge defects that promote the distortion of the otherwise planar lattice. The edge defects are an aromatic saddle-shaped ketone unit and a [5]carbohelicene moiety. This system is shown to combine two-photon absorption and circularly polarized luminescence and a remarkably long emission lifetime of 21.5 ns. The [5]helicene is responsible for the chiroptical activity while the push–pull geometry and the extended network of sp2 carbons are factors favoring the nonlinear absorption. Electronic structure theoretical calculations support the interpretation of the results. PMID:29780523

Infrared photonic bandgap materials and structures

NASA Astrophysics Data System (ADS)

Sundaram, S. K.; Keller, P. E.; Riley, B. J.; Martinez, J. E.; Johnson, B. R.; Allen, P. J.; Saraf, L. V.; Anheier, N. C., Jr.; Liau, F.

2006-02-01

Three-dimensional periodic dielectric structure can be described by band theory, analogous to electron waves in a crystal. Photonic band gap (PBG) structures were introduced in 1987. The PBG is an energy band in which optical modes, spontaneous emission, and zero-point fluctuations are all absent. It was first theoretically predicted that a three-dimensional photonic crystal could have a complete band gap. E. Yablonovitch built the first three-dimensional photonic crystal (Yablonovite) on microwave length scale, with a complete PBG. In nature, photonic crystals occur as semiprecious opal and the microscopic structures on the wings of some tropical butterflies, which are repeating structures (PBG structure/materials) that inhibit the propagation of some frequencies of light. Pacific Northwest National Laboratory (PNNL) has been developing tunable (between 3.5 and 16 μm) quantum cascade lasers (QCL), chalcogenides, and all other components for an integrated approach to chemical sensing. We have made significant progress in modeling and fabrication of infrared photonic band gap (PBG) materials and structures. We modeled several 2-D designs and defect configurations. Transmission spectra were computed by the Finite Difference Time Domain Method (with FullWAVE TM). The band gaps were computed by the Plane Wave Expansion Method (with BandSOLVE TM). The modeled designs and defects were compared and the best design was identified. On the experimental front, chalcogenide glasses were used as the starting materials. As IIS 3, a common chalcogenide, is an important infrared (IR) transparent material with a variety of potential applications such as IR sensors, waveguides, and photonic crystals. Wet-chemical lithography has been extended to PBG fabrication and challenges identified. An overview of results and challenges will be presented.

Defect classification in sparsity-based structural health monitoring

NASA Astrophysics Data System (ADS)

Golato, Andrew; Ahmad, Fauzia; Santhanam, Sridhar; Amin, Moeness G.

2017-05-01

Guided waves have gained popularity in structural health monitoring (SHM) due to their ability to inspect large areas with little attenuation, while providing rich interactions with defects. For thin-walled structures, the propagating waves are Lamb waves, which are a complex but well understood type of guided waves. Recent works have cast the defect localization problem of Lamb wave based SHM within the sparse reconstruction framework. These methods make use of a linear model relating the measurements with the scene reflectivity under the assumption of point-like defects. However, most structural defects are not perfect points but tend to assume specific forms, such as surface cracks or internal cracks. Knowledge of the "type" of defects is useful in the assessment phase of SHM. In this paper, we present a dual purpose sparsity-based imaging scheme which, in addition to accurately localizing defects, properly classifies the defects present simultaneously. The proposed approach takes advantage of the bias exhibited by certain types of defects toward a specific Lamb wave mode. For example, some defects strongly interact with the anti-symmetric modes, while others strongly interact with the symmetric modes. We build model based dictionaries for the fundamental symmetric and anti-symmetric wave modes, which are then utilized in unison to properly localize and classify the defects present. Simulated data of surface and internal defects in a thin Aluminum plate are used to validate the proposed scheme.

High-temperature cuprate superconductors studied by x-ray Compton scattering and positron annihilation spectroscopies

NASA Astrophysics Data System (ADS)

Barbiellini, Bernardo

2013-06-01

The bulk Fermi surface in an overdoped (x = 0.3) single crystal of La2-xSrxCuO4 has been observed by using x-ray Compton scattering. This momentum density technique also provides a powerful tool for directly seeing what the dopant Sr atoms are doing to the electronic structure of La2CuO4. Because of wave function effects, positron annihilation spectroscopy does not yield a strong signature of the Fermi surface in extended momentum space, but it can be used to explore the role of oxygen defects in the reservoir layers for promoting high temperature superconductivity.

[Prenatal screening of congenital heart defects in population at low risk of congenital defects. A reality today].

PubMed

Sainz, J A; Zurita, M J; Guillen, I; Borrero, C; García-Mejido, J; Almeida, C; Turmo, E; Garrido, R

2015-01-01

We propose to demonstrate that it is possible to implement a valid (diagnostic sensitivity for major cardiac malformations 90%), and universal (applied to over 90% of pregnant women), prenatal screening method for congenital heart defects. Prospective study. A total of 12478 pregnant women were evaluated between January 2008 and December 2010. Congenital heart diseases were screened using fetal extended basic echocardiography (cardiac ultrasound). The prevalence of birth defects in general and congenital heart disease was 2.5% (2.2-2.7%) and 0.9% (0.7-1%) respectively. Congenital heart disease had a higher rate of association with other structural abnormalities with 11.5% (5.6-17.4%), 21% for major congenital heart disease (9.9-32%), and chromosomal abnormalities of 15.9% (9.1-22.7%), with 32.6% for major congenital heart disease (19.8-45.3%). A fetal cardiac ultrasound assessment was performed on 99.2% of pregnant women. The fetal echocardiography is useful for the diagnosis of congenital heart disease in general, and major congenital heart disease, with a sensitivity of 42.8% (33.5-52.5%) and 90.4% (78.9-96.8%), respectively, and a specificity for both of 99.9% (99.8-99.9%). It is possible to perform a valid prenatal and universal screening of major congenital heart disease. Copyright © 2012 Asociación Española de Pediatría. Published by Elsevier Espana. All rights reserved.

Low-voltage cross-sectional EBIC for characterisation of GaN-based light emitting devices.

PubMed

Moldovan, Grigore; Kazemian, Payam; Edwards, Paul R; Ong, Vincent K S; Kurniawan, Oka; Humphreys, Colin J

2007-01-01

Electron beam induced current (EBIC) characterisation can provide detailed information on the influence of crystalline defects on the diffusion and recombination of minority carriers in semiconductors. New developments are required for GaN light emitting devices, which need a cross-sectional approach to provide access to their complex multi-layered structures. A sample preparation approach based on low-voltage Ar ion milling is proposed here and shown to produce a flat cross-section with very limited surface recombination, which enables low-voltage high resolution EBIC characterisation. Dark defects are observed in EBIC images and correlation with cathodoluminescence images identify them as threading dislocations. Emphasis is placed on one-dimensional quantification which is used to show that junction delineation with very good spatial resolution can be achieved, revealing significant roughening of this GaN p-n junction. Furthermore, longer minority carrier diffusion lengths along the c-axis are found at dislocation sites, in both p-GaN and the multi-quantum well (MQW) region. This is attributed to gettering of point defects at threading dislocations in p-GaN and higher escape rate from quantum wells at dislocation sites in the MQW region, respectively. These developments show considerable promise for the use of low-voltage cross-sectional EBIC in the characterisation of point and extended defects in GaN-based devices and it is suggested that this technique will be particularly useful for degradation analysis.

Defect Engineering by Codoping in KCaI3 :Eu2 + Single-Crystalline Scintillators

NASA Astrophysics Data System (ADS)

Wu, Yuntao; Li, Qi; Jones, Steven; Dun, Chaochao; Hu, Sheng; Zhuravleva, Mariya; Lindsey, Adam C.; Stand, Luis; Loyd, Matthew; Koschan, Merry; Auxier, John; Hall, Howard L.; Melcher, Charles L.

2017-09-01

Eu2 + -doped alkali or alkali earth iodide scintillators with energy resolutions ≤3 % at 662 keV promise the excellent discrimination ability for radioactive isotopes required for homeland-security and nuclear-nonproliferation applications. To extend their applications to x-ray imaging, such as computed tomography scans, the intense afterglow which delays the response time of such materials is an obstacle that needs to be overcome. However, a clear understanding of the origin of the afterglow and feasible solutions is still lacking. In this work, we present a combined experimental and theoretical investigation of the physical insights of codoping-based defect engineering which can reduce the afterglow effectively in KCaI3:Eu2 + single-crystal scintillators. We illustrate that Sc3 + codoping greatly suppresses the afterglow, whereas Y3 + , Gd3 + , or La3 + codoping enhances the afterglow. Meanwhile, a light yield of 57 000 photons / MeV and an energy resolution of 3.4% at 662 keV can be maintained with the appropriate concentration of Sc3 + codoping, which makes the material promising for medical-imaging applications. Through our thermoluminescence techniques and density-functional-theory calculations, we are able to identify the defect structures and understand the mechanism by which codoping affects the scintillation performance of KCaI3:Eu2 + crystals. The proposed defect-engineering strategy is further validated by achieving afterglow suppression in Mg2 + codoped KCaI3:Eu2 + single crystals.

Surgical management of cosmetic mucogingival defects.

PubMed

Dym, Harry; Tagliareni, Jonathan M

2012-01-01

Mucogingival conditions are deviations from the normal anatomic relationship between the gingival margin and the mucogingival junction. Mucogingival surgery is plastic surgery designed to correct defects in the gingiva surrounding the teeth. Common mucogingival conditions are recession, absence, or reduction of keratinized tissue, and probing depths extending beyond the mucogingival junction. Surgical techniques used to augment cosmetic mucogingival defects include the free gingival autograft, the subepithelial connective tissue graft, rotational flaps, lateral sliding flaps, coronally repositioned flaps, and the use of acellular dermal matrix grafts. Copyright © 2012 Elsevier Inc. All rights reserved.

MTHFR polymorphisms in Puerto Rican children with isolated congenital heart disease and their mothers

PubMed Central

García-Fragoso, Lourdes; García-García, Inés; Leavitt, Gloria; Renta, Jessicca; Ayala, Miguel A.; Cadilla, Carmen L.

2010-01-01

Congenital heart defects (CHD) are among the most common birth defects. There is evidence suggesting that polymorphisms in folate metabolism could alter susceptibility to CHD. The MTHFR 677TT genotype has been associated with the development of structural congenital heart malformations. The objective of this study was to identify common polymorphisms in the MTHFR gene in children with isolated CHD and their mothers. The DNA analysis for the C677T and A1298C mutations was performed. The study group included 27 mothers, 27 children with CHD, and 220 controls. The prevalence of the TT polymorphism was higher in mothers (22%) than in controls (10%). Compound heterozygosity for both polymorphisms was 3.7 times more common in children with CHD than in the newborn controls. Mothers of children with CHD were more likely to be compound heterozygotes. The higher prevalence of C677T polymorphisms in mothers of children with CHD and of compound heterozygosity for both polymorphisms suggests the possible role of folic acid in the prevention of CHD. Due to the relation of this enzyme to folate metabolism, current folate recommendations for women in childbearing age in Puerto Rico to reduce neural tube defects may need to be extended to the prevention of CHD. PMID:20657745

MTHFR polymorphisms in Puerto Rican children with isolated congenital heart disease and their mothers.

PubMed

García-Fragoso, Lourdes; García-García, Inés; Leavitt, Gloria; Renta, Jessicca; Ayala, Miguel A; Cadilla, Carmen L

2010-03-01

Congenital heart defects (CHD) are among the most common birth defects. There is evidence suggesting that polymorphisms in folate metabolism could alter susceptibility to CHD. The MTHFR 677TT genotype has been associated with the development of structural congenital heart malformations. The objective of this study was to identify common polymorphisms in the MTHFR gene in children with isolated CHD and their mothers. The DNA analysis for the C677T and A1298C mutations was performed. The study group included 27 mothers, 27 children with CHD, and 220 controls. The prevalence of the TT polymorphism was higher in mothers (22%) than in controls (10%). Compound heterozygosity for both polymorphisms was 3.7 times more common in children with CHD than in the newborn controls. Mothers of children with CHD were more likely to be compound heterozygotes. The higher prevalence of C677T polymorphisms in mothers of children with CHD and of compound heterozygosity for both polymorphisms suggests the possible role of folic acid in the prevention of CHD. Due to the relation of this enzyme to folate metabolism, current folate recommendations for women in childbearing age in Puerto Rico to reduce neural tube defects may need to be extended to the prevention of CHD.

Structural, electronic and photocatalytic properties of atomic defective BiI3 monolayers

NASA Astrophysics Data System (ADS)

Yan, Huang; Ziyu, Hu; Xu, Gong; Xiaohong, Shao

2018-01-01

The structural, electronic and photocatalytic properties of five vacancy-containing 2D BiI3 monolayers are investigated by the first-principle calculations. The electronic structures show that the five structures are stable and have comparable binding energies to that of the pristine BiI3 monolayer, and the defects can tune the band gaps. Optical spectra indicate that the five structures retain high absorption capacity for visible light. The spin-orbit coupling (SOC) effect is found to play an important role in the band edge of defective structures, and the VBi and VBi-I3 defective BiI3 monolayers can make absolute band edges straddle water redox potentials more easily.

Irradiation-induced defect formation and damage accumulation in single crystal CeO 2

DOE PAGES

Graham, Joseph T.; Zhang, Yanwen; Weber, William J.

2017-11-15

Here, the accumulation of irradiation-induced disorder in single crystal CeO 2 has been investigated over a wide range of ion fluences. Room temperature irradiations of epitaxial CeO 2 thin films using 2 MeV Au 2+ ions were carried out up to a total fluence of 1.3 x 10 16 cm –2 Post-irradiation disorder was characterized using ion channeling Rutherford backscattering spectrometry (RBS/C) and confocal Raman spectroscopy. The Raman measurements were interpreted by means of a phonon confinement model, which employed rigid ion calculations to determine the phonon correlation length in the irradiated material. Comparison between the dose dependent changes inmore » correlation length of the Raman measurements and the Ce disorder fraction from RBS/C provides complementary quantitative details on the rate of point and extended defect formation on the Ce and O sub-lattices over a broad range of ion fluences. Raman measurements, which are significantly more sensitive than RBS/C at low doses, reveal that the nucleation rate of defects is highest below 0.1 displacements per atom (dpa). Comparison between Raman and RBS/C measurements suggests that between 0.1 and 10 dpa the damage evolution is characterized by modest growth of point defects and/or small clusters, while above 10 dpa the preexisting defects rapidly grow into extended clusters and/or loops.« less

Irradiation-induced defect formation and damage accumulation in single crystal CeO2

NASA Astrophysics Data System (ADS)

Graham, Joseph T.; Zhang, Yanwen; Weber, William J.

2018-01-01

The accumulation of irradiation-induced disorder in single crystal CeO2 has been investigated over a wide range of ion fluences. Room temperature irradiations of epitaxial CeO2 thin films using 2 MeV Au2+ ions were carried out up to a total fluence of 1.3 ×1016 cm-2 Post-irradiation disorder was characterized using ion channeling Rutherford backscattering spectrometry (RBS/C) and confocal Raman spectroscopy. The Raman measurements were interpreted by means of a phonon confinement model, which employed rigid ion calculations to determine the phonon correlation length in the irradiated material. Comparison between the dose dependent changes in correlation length of the Raman measurements and the Ce disorder fraction from RBS/C provides complementary quantitative details on the rate of point and extended defect formation on the Ce and O sub-lattices over a broad range of ion fluences. Raman measurements, which are significantly more sensitive than RBS/C at low doses, reveal that the nucleation rate of defects is highest below 0.1 displacements per atom (dpa). Comparison between Raman and RBS/C measurements suggests that between 0.1 and 10 dpa the damage evolution is characterized by modest growth of point defects and/or small clusters, while above 10 dpa the preexisting defects rapidly grow into extended clusters and/or loops.

Irradiation-induced defect formation and damage accumulation in single crystal CeO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Graham, Joseph T.; Zhang, Yanwen; Weber, William J.

Here, the accumulation of irradiation-induced disorder in single crystal CeO 2 has been investigated over a wide range of ion fluences. Room temperature irradiations of epitaxial CeO 2 thin films using 2 MeV Au 2+ ions were carried out up to a total fluence of 1.3 x 10 16 cm –2 Post-irradiation disorder was characterized using ion channeling Rutherford backscattering spectrometry (RBS/C) and confocal Raman spectroscopy. The Raman measurements were interpreted by means of a phonon confinement model, which employed rigid ion calculations to determine the phonon correlation length in the irradiated material. Comparison between the dose dependent changes inmore » correlation length of the Raman measurements and the Ce disorder fraction from RBS/C provides complementary quantitative details on the rate of point and extended defect formation on the Ce and O sub-lattices over a broad range of ion fluences. Raman measurements, which are significantly more sensitive than RBS/C at low doses, reveal that the nucleation rate of defects is highest below 0.1 displacements per atom (dpa). Comparison between Raman and RBS/C measurements suggests that between 0.1 and 10 dpa the damage evolution is characterized by modest growth of point defects and/or small clusters, while above 10 dpa the preexisting defects rapidly grow into extended clusters and/or loops.« less

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

PubMed

Möller, Johannes J; Bitzek, Erik

2016-01-01

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

The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency

PubMed Central

Uberuaga, Blas Pedro; Vernon, Louis J.; Martinez, Enrique; Voter, Arthur F.

2015-01-01

Nanocrystalline materials have received great attention due to their potential for improved functionality and have been proposed for extreme environments where the interfaces are expected to promote radiation tolerance. However, the precise role of the interfaces in modifying defect behavior is unclear. Using long-time simulations methods, we determine the mobility of defects and defect clusters at grain boundaries in Cu. We find that mobilities vary significantly with boundary structure and cluster size, with larger clusters exhibiting reduced mobility, and that interface sink efficiency depends on the kinetics of defects within the interface via the in-boundary annihilation rate of defects. Thus, sink efficiency is a strong function of defect mobility, which depends on boundary structure, a property that evolves with time. Further, defect mobility at boundaries can be slower than in the bulk, which has general implications for the properties of polycrystalline materials. Finally, we correlate defect energetics with the volumes of atomic sites at the boundary. PMID:25766999

The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency

DOE PAGES

Uberuaga, Blas Pedro; Vernon, Louis J.; Martinez, Enrique; ...

2015-03-13

Nanocrystalline materials have received great attention due to their potential for improved functionality and have been proposed for extreme environments where the interfaces are expected to promote radiation tolerance. However, the precise role of the interfaces in modifying defect behavior is unclear. Using long-time simulations methods, we determine the mobility of defects and defect clusters at grain boundaries in Cu. We find that mobilities vary significantly with boundary structure and cluster size, with larger clusters exhibiting reduced mobility, and that interface sink efficiency depends on the kinetics of defects within the interface via the in-boundary annihilation rate of defects. Thus,more » sink efficiency is a strong function of defect mobility, which depends on boundary structure, a property that evolves with time. Further, defect mobility at boundaries can be slower than in the bulk, which has general implications for the properties of polycrystalline materials. Finally, we correlate defect energetics with the volumes of atomic sites at the boundary.« less

Oxidation at through-hole defects in fused slurry silicide coated columbium alloys FS-85 and Cb-752

NASA Technical Reports Server (NTRS)

Levine, S. R.

1973-01-01

Metal recession and interstitial contamination at 0.08-centimeter-diameter through-hole intentional defects in fused slurry silicide coated FS-85 and Cb-752 columbium alloys were studied to determine the tolerance of these materials to coating defects. Five external pressure reentry simulation exposures to 1320 C and 4.7 x 1,000 N/sq m (maximum pressure) resulted in a consumed metal zone having about twice the initial defect diameter for both alloys with an interstitial contamination zone extending about three to four initial defect diameters. Self-healing occurred in the 1.33 x 10 N/sq m, 1320 C exposures and to a lesser extent in internal pressure reentry cycles to 1320 C and 1.33 x 100 N/sq m (maximum pressure).

Defect-induced magnetism in cobalt-doped ZnO epilayers

NASA Astrophysics Data System (ADS)

Ciatto, G.; Di Trolio, A.; Fonda, E.; Alippi, P.; Polimeni, A.; Capizzi, M.; Varvaro, G.; Bonapasta, A. Amore

2014-02-01

We used a synergic Co-edge X-ray absorption spectroscopy (XAS) and density functional theory calculations approach to perform a study of defects which could account for the room temperature ferromagnetism of ZnCoO, an oxide of great potential interest in semiconductor spintronics. Our results suggest that a key role is played by specific defect complexes in which O vacancies are located close to the Co atoms. Extended defects such as Co clusters have a marginal function, although we observe their formation at the epilayer surface under certain growth conditions. We also show preliminary results of the study of hydrogen-induced defects in ZnCoO epilayers deliberately hydrogen irradiated via a Kaufman source. Hydrogen was in fact predicted to mediate a ferromagnetic spin-spin interaction between neighboring magnetic impurities.

Large Thermal Motion in Halide Perovskites

DOE PAGES

Tyson, T. A.; Gao, W.; Chen, Y. -S.; ...

2017-08-24

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

Tunable thermal rectification in graphene/hexagonal boron nitride hybrid structures

NASA Astrophysics Data System (ADS)

Chen, Xue-Kun; Hu, Ji-Wen; Wu, Xi-Jun; Jia, Peng; Peng, Zhi-Hua; Chen, Ke-Qiu

2018-02-01

Using non-equilibrium molecular dynamics simulations, we investigate thermal rectification (TR) in graphene/hexagonal boron nitride (h-BN) hybrid structures. Two different structural models, partially substituting graphene into h-BN (CBN) and partially substituting h-BN into graphene (BNC), are considered. It is found that CBN has a significant TR effect while that of BNC is very weak. The observed TR phenomenon can be attributed to the resonance effect between out-of-plane phonons of graphene and h-BN domains in the low-frequency region under negative temperature bias. In addition, the influences of ambient temperature, system size, defect number and substrate interaction are also studied to obtain the optimum conditions for TR. More importantly, the TR ratio could be effectively tuned through chemical and structural diversity. A moderate C/BN ratio and parallel arrangement are found to enhance the TR ratio. Detailed phonon spectra analyses are conducted to understand the thermal transport behavior. This work extends hybrid engineering to 2D materials for achieving TR.

A theoretical study of the stability of anionic defects in cubic ZrO 2 at extreme conditions

DOE PAGES

Samanta, Amit

2016-02-19

Using first principles density functional theory calculations, we present a study of the structure, mobility, and the thermodynamic stability of anionic defects in the high-temperature cubic phase of ZrO 2. Our results suggest that the local structure of an oxygen interstitial depends on the charge state and the cubic symmetry of the anionic sublattice is unstable at 0 K. In addition, the oxygen interstitials and the vacancies exhibit symmetry breaking transitions to low-energy structures with tetragonal distortion of the oxygen sublattice at 0 K. However, the vibrational entropy stabilizes the defect structures with cubic symmetry at 2600–2980 K. The formationmore » free energies of the anionic defects and Gibbs free energy changes associated with different defect reactions are calculated by including the vibrational free energy contributions and the effect of pressure on these defect structures. By analyzing the defect chemistry, we obtain the defect concentrations at finite temperature and pressure conditions using the zero temperature ab initio results as input and find that at low oxygen partial pressures, neutral oxygen vacancies are most dominant and at high oxygen partial pressures, doubly charged anionic defects are dominant. As a result, the relevance of the results to the thermal protective coating capabilities of zirconium-based ceramic composites is elucidated.« less

Nucleation and growth of sodium colloids in NaCl under irradiation: theory and experiment

NASA Astrophysics Data System (ADS)

Dubinko, V. I.; Turkin, A. A.; Abyzov, A. S.; Sugonyako, A. V.; Vainshtein, D. I.; den Hartog, H. W.

2005-01-01

A mechanism of radiation-induced emission of Schottky defects from extended defects proposed originally for metals has recently been applied to ionic crystals, where it is based on interactions of excitons with extended defects such as dislocations and colloids. Exciton trapping and decay at colloids may result in the emission of F centers and consequent shrinkage of the colloid. In the present paper, the radiation-induced emission of F centers is taken into account in the modeling of nucleation and growth of sodium colloids and chlorine bubbles in NaCl exposed to electron or gamma irradiation. The evolution of colloid and bubble number densities and volume fractions with increasing irradiation dose is modeled in the framework of a modified rate theory and compared with experimental data. Experimental values of the colloid volume fractions and number densities have been estimated on the basis of latent heat of melting of metallic Na obtained with combined differential scanning calorimetry experiments and atomic force microscopy investigations of metallic clusters.

The intra-umbilical approach in umbilical hernia.

PubMed

Arslan, Sukru; Korkut, Ercan

2014-02-01

To investigate the "intra-umbilical incision", a smaller incision compared to classic incisions, in cases of umbilical hernia, and which we believe will contribute to patient satisfaction in aesthetic terms, and also the practicability of such operations. The umbilical margins of eight patients with an umbilical hernia were marked between the levels of 6 and 12 o'clock, and a median intra-umbilical skin incision was performed between these two points. In some cases, where exploration could not be performed sufficiently, the incision was extended horizontally from 6 or 12 o'clock. Hernia repair and mesh placement was then performed using an intra-umbilical approach. Patients were investigated according to the defect size and requirement for intra-umbilical incision extension. No requirement for intra-umbilical incision was encountered in six patients with a facial defect diameter smaller than 4 cm, while the incision had to be extended in two patients with defects greater than 4 cm. The intra-umbilical approach in umbilical hernia surgery is aesthetically superior to classical approaches and is a practicable technique.

Development and Modeling of a Novel Self-Assembly Process for Polymer and Polymeric Composite Nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sumpter, Bobby G.; Carrillo, Jan-Michael Y.; Ahn, Suk-Kyun

Extensive computational simulations and experiments have been used to investigate the structure, dynamics and resulting photophysical properties of a number para-phenylenevinylene (PPV) based polymers and oligomers. These studies have shown how the morphology and structure are controlled to a large extent by the nature of the solute-solvent interactions in the initial solution phase preparation. A good solvent such as dichloromethane generates non-compact structures with more of a defect-extended chain like morphology while a bad solvent such as toluene leads to compact organized and folded structures with rod-like morphologies. Secondary structural organization is induced by using the solution phase structures tomore » generate solvent-free single molecule nanoparticles. These nanoparticles are very compact and rod shaped, consisting of near-cofacial ordering of the conjugated PPV chain backbones between folds located at tetrahedral defects (sp3 C-C bonds). The resulting photophysical properties exhibit a significant enhancement in the photoluminescence quantum yield, lifetime, and stability. In addition, the single molecule nanoparticles have Gaussian-like emission spectra with discrete center frequencies that are correlated to a conjugation length, allowing the design of nanoparticles which luminesces at a particular frequency. We followed a similar approach and applied a comparable methodology in our recent work on polythiophenes in order to study the effect of polymer architecture on nanoscale assembly. Unlike linear chains of comparable size, we observed aggregation of the bottlebrush architecture of poly(norbornene)-g-poly(3-hexylthiophene) (PNB-g-P3HT) after the freeze-drying and dissolution processes. The behavior can be attributed to a significant enhancement in the number of π-π interactions between grafted P3HT side chains.« less

Free Boomerang-shaped Extended Rectus Abdominis Myocutaneous flap: The longest possible skin/myocutaneous free flap for soft tissue reconstruction of extremities.

PubMed

Koul, Ashok R; Nahar, Sushil; Prabhu, Jagdish; Kale, Subhash M; Kumar, Praveen H P

2011-09-01

A soft tissue defect requiring flap cover which is longer than that provided by the conventional "long" free flaps like latissimus dorsi (LD) and anterolateral thigh (ALT) flap is a challenging problem. Often, in such a situation, a combination of flaps is required. Over the last 3 years, we have managed nine such defects successfully with a free "Boomerang-shaped" Extended Rectus Abdominis Myocutaneous (BERAM) flap. This flap is the slightly modified and "free" version of a similar flap described by Ian Taylor in 1983. This is a retrospective study of patients who underwent free BERAM flap reconstruction of soft tissue defects of extremity over the last 3 years. We also did a clinical study on 30 volunteers to compare the length of flap available using our design of BERAM flap with the maximum available flap length of LD and ALT flaps, using standard markings. Our clinical experience of nine cases combined with the results of our clinical study has confirmed that our design of BERAM flap consistently provides a flap length which is 32.6% longer than the standard LD flap and 42.2% longer than the standard ALT flap in adults. The difference is even more marked in children. The BERAM flap is consistently reliable as long as the distal end is not extended beyond the mid-axillary line. BERAM flap is simple in design, easy to harvest, reliable and provides the longest possible free skin/myocutaneous flap in the body. It is a useful new alternative for covering long soft tissue defects in the limbs.

Birth Defects

MedlinePlus

... both. Some birth defects like cleft lip or neural tube defects are structural problems that can be ... during pregnancy is a key factor in causing neural tube defects. For most birth defects, the cause ...

Electronic structure changes during the on-surface synthesis of nitrogen-doped chevron-shaped graphene nanoribbons

NASA Astrophysics Data System (ADS)

Maaß, Friedrich; Utecht, Manuel; Stremlau, Stephan; Gille, Marie; Schwarz, Jutta; Hecht, Stefan; Klamroth, Tillmann; Tegeder, Petra

2017-07-01

Utilizing suitable precursor molecules, a thermally activated and surface-assisted synthesis results in the formation of defect-free graphene nanoribbons (GNRs), which exhibit electronic properties that are not present in extended graphene. Most importantly, they have a band gap in the order of a few electron volts, depending on the nanoribbon width. In this study, we investigate the electronic structure changes during the formation of GNRs, nitrogen-doped (singly and doubly N-doped) as well as non-N-doped chevron-shaped CGNRs on Au(111). Thus we determine the optical gaps of the precursor molecules, the intermediate nonaromatic polymers, and finally the aromatic GNRs, using high-resolution electron energy loss spectroscopy and density functional theory calculations. As expected, we find no influence of N-doping on the size of the optical gaps. The gap of the precursor molecules is around 4.5 eV. Polymerization leads to a reduction of the gap to a value of 3.2 eV due to elongation and thus enhanced delocalization. The CGNRs exhibit a band gap of 2.8 eV, thus the gap is further reduced in the nanoribbons, since they exhibit an extended delocalized π -electron system.

Results from a new die-to-database reticle inspection platform

NASA Astrophysics Data System (ADS)

Broadbent, William; Xiong, Yalin; Giusti, Michael; Walsh, Robert; Dayal, Aditya

2007-03-01

A new die-to-database high-resolution reticle defect inspection system has been developed for the 45nm logic node and extendable to the 32nm node (also the comparable memory nodes). These nodes will use predominantly 193nm immersion lithography although EUV may also be used. According to recent surveys, the predominant reticle types for the 45nm node are 6% simple tri-tone and COG. Other advanced reticle types may also be used for these nodes including: dark field alternating, Mask Enhancer, complex tri-tone, high transmission, CPL, EUV, etc. Finally, aggressive model based OPC will typically be used which will include many small structures such as jogs, serifs, and SRAF (sub-resolution assist features) with accompanying very small gaps between adjacent structures. The current generation of inspection systems is inadequate to meet these requirements. The architecture and performance of a new die-to-database inspection system is described. This new system is designed to inspect the aforementioned reticle types in die-to-database and die-to-die modes. Recent results from internal testing of the prototype systems are shown. The results include standard programmed defect test reticles and advanced 45nm and 32nm node reticles from industry sources. The results show high sensitivity and low false detections being achieved.

Statistical shear lag model - unraveling the size effect in hierarchical composites.

PubMed

Wei, Xiaoding; Filleter, Tobin; Espinosa, Horacio D

2015-05-01

Numerous experimental and computational studies have established that the hierarchical structures encountered in natural materials, such as the brick-and-mortar structure observed in sea shells, are essential for achieving defect tolerance. Due to this hierarchy, the mechanical properties of natural materials have a different size dependence compared to that of typical engineered materials. This study aimed to explore size effects on the strength of bio-inspired staggered hierarchical composites and to define the influence of the geometry of constituents in their outstanding defect tolerance capability. A statistical shear lag model is derived by extending the classical shear lag model to account for the statistics of the constituents' strength. A general solution emerges from rigorous mathematical derivations, unifying the various empirical formulations for the fundamental link length used in previous statistical models. The model shows that the staggered arrangement of constituents grants composites a unique size effect on mechanical strength in contrast to homogenous continuous materials. The model is applied to hierarchical yarns consisting of double-walled carbon nanotube bundles to assess its predictive capabilities for novel synthetic materials. Interestingly, the model predicts that yarn gauge length does not significantly influence the yarn strength, in close agreement with experimental observations. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Carrier transport in amorphous silicon utilizing picosecond photoconductivity

NASA Astrophysics Data System (ADS)

Johnson, A. M.

1981-08-01

The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

Actinic imaging and evaluation of phase structures on EUV lithography masks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mochi, Iacopo; Goldberg, Kenneth; Huh, Sungmin

2010-09-28

The authors describe the implementation of a phase-retrieval algorithm to reconstruct phase and complex amplitude of structures on EUV lithography masks. Many native defects commonly found on EUV reticles are difficult to detect and review accurately because they have a strong phase component. Understanding the complex amplitude of mask features is essential for predictive modeling of defect printability and defect repair. Besides printing in a stepper, the most accurate way to characterize such defects is with actinic inspection, performed at the design, EUV wavelength. Phase defect and phase structures show a distinct through-focus behavior that enables qualitative evaluation of themore » object phase from two or more high-resolution intensity measurements. For the first time, phase of structures and defects on EUV masks were quantitatively reconstructed based on aerial image measurements, using a modified version of a phase-retrieval algorithm developed to test optical phase shifting reticles.« less

Characterization and manipulation of individual defects in insulating hexagonal boron nitride using scanning tunnelling microscopy.

PubMed

Wong, Dillon; Velasco, Jairo; Ju, Long; Lee, Juwon; Kahn, Salman; Tsai, Hsin-Zon; Germany, Chad; Taniguchi, Takashi; Watanabe, Kenji; Zettl, Alex; Wang, Feng; Crommie, Michael F

2015-11-01

Defects play a key role in determining the properties and technological applications of nanoscale materials and, because they tend to be highly localized, characterizing them at the single-defect level is of particular importance. Scanning tunnelling microscopy has long been used to image the electronic structure of individual point defects in conductors, semiconductors and ultrathin films, but such single-defect electronic characterization remains an elusive goal for intrinsic bulk insulators. Here, we show that individual native defects in an intrinsic bulk hexagonal boron nitride insulator can be characterized and manipulated using a scanning tunnelling microscope. This would typically be impossible due to the lack of a conducting drain path for electrical current. We overcome this problem by using a graphene/boron nitride heterostructure, which exploits the atomically thin nature of graphene to allow the visualization of defect phenomena in the underlying bulk boron nitride. We observe three different defect structures that we attribute to defects within the bulk insulating boron nitride. Using scanning tunnelling spectroscopy we obtain charge and energy-level information for these boron nitride defect structures. We also show that it is possible to manipulate the defects through voltage pulses applied to the scanning tunnelling microscope tip.

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

PubMed

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.

Electrical characterisation of defects in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Elsherif, Osama S.

Defects usually have a very large influence on the semiconductor material properties and hence on fabricated electronic devices. The nature and properties of defects in semiconducting materials can be investigated by applying electrical characterization techniques such as thermal admittance spectroscopy (TAS), deep level transient spectroscopy (DLTS) and high resolution Laplace-DLTS measurements. This dissertation presents the electrical characterisation of two different wide bandgap semiconducting materials (polycrystalline diamond and GaN) which have both recently attracted a great deal of attention because of their potential applications in the fields of power electronics and optoelectronics. Raman spectroscopy, I-V and C-V measurements were carried out as supporting experiments for the above investigations. The first part of this work focuses on studying the effect of B concentration on the electronic states in polycrystalline diamond thin films grown on silicon by the hot filament chemical vapour deposition method. A combination of high-resolution LDLTS and direct-capture cross-section measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. A number of hole traps have been detected; the majority of these levels show an unusual dependence of the DLTS signal on the fill pulse duration which is interpreted as possibly the levels are part of extended defects within the grain boundaries. In contrast, a defect level found in a more highly doped film, with an activation energy of -0.37 eV, exhibited behaviour characteristic of an isolated point defect, which we attribute to B-related centres in the bulk diamond, away from the dislocations. The second part of this thesis presents electrical measurements carried out at temperatures up to 450 K in order to study the electronic states associated with Mg in Mg-doped GaN films grown on sapphire by metalorganic vapour phase epitaxy, and to determine how these are affected by the threading dislocation density (TDD). Two different buffer layer schemes between the film and the sapphire substrate were used, giving rise to different TDDs in the GaN. Admittance spectroscopy of the films finds a single impurity-related acceptor level. It is observed in theses experiments that admittance spectroscopy detects no traps that can be attributed to extended defects, despite the fact that the dislocations are well-known to be active recombination centres. This unexpected finding is discussed in detail.

Electrical characterisation of defects in wide bandgap semiconductors

NASA Astrophysics Data System (ADS)

Elsherif, Osama S.

Defects usually have a very large influence on the semiconductor material properties and hence on fabricated electronic devices. The nature and properties of defects in semiconducting materials can be investigated by applying electrical characterization techniques such as thermal admittance spectroscopy (TAS), deep level transient spectroscopy (DLTS) and high resolution Laplace-DLTS measurements. This dissertation presents the electrical characterisation of two different wide bandgap semiconducting materials (polycrystalline diamond and GaN) which have both recently attracted a great deal of attention because of their potential applications in the fields of power electronics and optoelectronics. Raman spectroscopy, I-V and C-V measurements were carried out as supporting experiments for the above investigations.The first part of this work focuses on studying the effect of B concentration on the electronic states in polycrystalline diamond thin films grown on silicon by the hot filament chemical vapour deposition method. A combination of high-resolution LDLTS and direct-capture cross-section measurements was used to investigate whether the deep electronic states present in the layers originated from point or extended defects. There was good agreement between data on deep electronic levels obtained from DLTS and TAS experiments. A number of hole traps have been detected; the majority of these levels show an unusual dependence of the DLTS signal on the fill pulse duration which is interpreted as possibly the levels are part of extended defects within the grain boundaries. In contrast, a defect level found in a more highly doped film, with an activation energy of -0.37 eV, exhibited behaviour characteristic of an isolated point defect, which we attribute to B-related centres in the bulk diamond, away from the dislocations.The second part of this thesis presents electrical measurements carried out at temperatures up to 450 K in order to study the electronic states associated with Mg in Mg-doped GaN films grown on sapphire by metalorganic vapour phase epitaxy, and to determine how these are affected by the threading dislocation density (TDD). Two different buffer layer schemes between the film and the sapphire substrate were used, giving rise to different TDDs in the GaN. Admittance spectroscopy of the films finds a single impurity-related acceptor level. It is observed in theses experiments that admittance spectroscopy detects no traps that can be attributed to extended defects, despite the fact that the dislocations are well-known to be active recombination centres. This unexpected finding is discussed in detail.

Defect modes in a stacked structure of chiral photonic crystals.

PubMed

Chen, Jiun-Yeu; Chen, Lien-Wen

2005-06-01

An optical propagation simulation is carried out for the study of photonic defect modes in a stacked structure of cholesteric liquid crystal films with spatially varying pitch. The defects are introduced by a pitch jump and a phase jump in the cholesteric helix. The effect of a finite sample thickness on transmission of the defect mode and on the required polarization of incident light to create the defect mode is discussed. For normal and near-normal incidence of circularly polarized light with the same handedness as structure, the defect caused by a pitch jump results in discrete peaks within a forbidden band in the transmission. The particular spectrum is similar to the feature of a Fabry-Pérot interferometer. By introducing an additional phase jump, linear blueshifts of the defect modes in transmission spectra are correlated with an increase in the twist angle.

Band Structure Characteristics of Nacreous Composite Materials with Various Defects

NASA Astrophysics Data System (ADS)

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.

Elastic dependence of defect modes in one-dimensional photonic crystals with a cholesteric elastomer slab

NASA Astrophysics Data System (ADS)

Avendanño, Carlos G.; Martínez, Daniel

2018-07-01

We studied the transmission spectra in a one-dimensional dielectric multilayer photonic structure containing a cholesteric liquid crystal elastomer layer as a defect. For circularly polarized incident electromagnetic waves, we analyzed the optical defect modes induced in the band gap spectrum as a function of the incident angle and the axial strain applied along the same axis as the periodic medium. The physical parameters of the structure were chosen in such a way the photonic band gap of the cholesteric elastomer lies inside that of the multilayer. We found that, in addition to the defect modes associated with the thickness of the defect layer and the anisotropy of the elastic polymer, two new defect modes appear at both band edges of the cholesteric structure, whose amplitudes and spectral positions can be elastically tuned. Particularly, we showed that, at normal incidence, the defect modes shift toward the long-wavelength region with the strain; whereas, for constant elongation, such defects move toward larger frequencies with the incidence angle.

7 CFR 51.2340 - Classification of defects.

Code of Federal Regulations, 2013 CFR

2013-01-01

... or discoloration of the flesh extends more than 1/16 inch (1.6 mm) in depth When surface of fruit is indented and discoloration of the flesh extends deeper than 1/8 inch (3.2 mm), or causing slight discoloration exceeding the area of a circle 3/8 inch (9.5 mm) in diameter, or lesser bruises aggregating an...

7 CFR 51.2340 - Classification of defects.

Code of Federal Regulations, 2014 CFR

2014-01-01

... or discoloration of the flesh extends more than 1/16 inch (1.6 mm) in depth When surface of fruit is indented and discoloration of the flesh extends deeper than 1/8 inch (3.2 mm), or causing slight discoloration exceeding the area of a circle 3/8 inch (9.5 mm) in diameter, or lesser bruises aggregating an...

Atomistic simulation of defect formation and structure transitions in U-Mo alloys in swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Kolotova, L. N.; Starikov, S. V.

2017-11-01

In irradiation of swift heavy ions, the defects formation frequently takes place in crystals. High energy transfer into the electronic subsystem and relaxations processes lead to the formation of structural defects and cause specific effects, such as the track formation. There is a large interest to understanding of the mechanisms of defects/tracks formation due to the heating of the electron subsystem. In this work, the atomistic simulation of defects formation and structure transitions in U-Mo alloys in irradiation of swift heavy ions has been carried out. We use the two-temperature atomistic model with explicit account of electron pressure and electron thermal conductivity. This two-temperature model describes ionic subsystem by means of molecular dynamics while the electron subsystem is considered in the continuum approach. The various mechanisms of structure changes in irradiation are examined. In particular, the simulation results indicate that the defects formation may be produced without melting and subsequent crystallization. Threshold stopping power of swift ions for the defects formation in irradiation in the various conditions are calculated.

Average structure and local configuration of excess oxygen in UO(2+x).

PubMed

Wang, Jianwei; Ewing, Rodney C; Becker, Udo

2014-03-19

Determination of the local configuration of interacting defects in a crystalline, periodic solid is problematic because defects typically do not have a long-range periodicity. Uranium dioxide, the primary fuel for fission reactors, exists in hyperstoichiometric form, UO(2+x). Those excess oxygen atoms occur as interstitial defects, and these defects are not random but rather partially ordered. The widely-accepted model to date, the Willis cluster based on neutron diffraction, cannot be reconciled with the first-principles molecular dynamics simulations present here. We demonstrate that the Willis cluster is a fair representation of the numerical ratio of different interstitial O atoms; however, the model does not represent the actual local configuration. The simulations show that the average structure of UO(2+x) involves a combination of defect structures including split di-interstitial, di-interstitial, mono-interstitial, and the Willis cluster, and the latter is a transition state that provides for the fast diffusion of the defect cluster. The results provide new insights in differentiating the average structure from the local configuration of defects in a solid and the transport properties of UO(2+x).

Spin and valley filter across line defect in silicene

NASA Astrophysics Data System (ADS)

Wang, Sake; Ren, Chongdan; Li, Yunfang; Tian, Hongyu; Lu, Weitao; Sun, Minglei

2018-05-01

We propose a new scheme to achieve an effective spin/valley filter in silicene with extended line defect on the basis of spin–valley coupling due to the intrinsic spin-orbit coupling (SOC). The transmission coefficient of the spin/valley states is seriously affected by the SOC. When a perpendicular magnetic field is applied on one side of the line defect, one valley state will experience backscattering, but the other valley will not; this leads to high valley polarization in all transmission directions. Moreover, the spin/valley polarization can be enhanced to 96% with the aid of a perpendicular electric field.

Effect of hydrogenation on the electrical and optical properties of CdZnTe substrates and HgCdTe epitaxial layers

NASA Astrophysics Data System (ADS)

Sitharaman, S.; Raman, R.; Durai, L.; Pal, Surendra; Gautam, Madhukar; Nagpal, Anjana; Kumar, Shiv; Chatterjee, S. N.; Gupta, S. C.

2005-12-01

In this paper, we report the experimental observations on the effect of plasma hydrogenation in passivating intrinsic point defects, shallow/deep levels and extended defects in low-resistivity undoped CdZnTe crystals. The optical absorption studies show transmittance improvement in the below gap absorption spectrum. Using variable temperature Hall measurement technique, the shallow defect level on which the penetrating hydrogen makes complex, has been identified. In 'compensated' n-type HgCdTe epitaxial layers, hydrogenation can improve the resistivity by two orders of magnitude.

A new idea for broad band reflector and tunable multichannel filter of one dimensional symmetric photonic crystal with magnetized cold plasma defects

NASA Astrophysics Data System (ADS)

Kumar, Asish; Singh, Prabal P.; Thapa, Khem B.

2018-05-01

The optical properties of one-dimensional periodic structure composed by SiO2 and dielectric (air) layers with asymmetric and symmetric forms studied. The transmittance for symmetric periodic defective structure analyzed by introducing one, two, three layers of magnetized cold plasma (MCP) in one-dimensional periodic structure. We found better result for symmetric defect of three layer of the MCP compare to the other defective structures. On the basis of our calculated results, we proposed a new idea for broadband reflector at lower frequency range as well as the multichannel filter at higher frequency range.

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

NASA Astrophysics Data System (ADS)

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.

Synthesis and study of electrolytic materials with a high-energy defect structure and a developed surface

NASA Astrophysics Data System (ADS)

Gryzunova, N. N.; Vikarchuk, A. A.; Tyur'kov, M. N.

2016-10-01

The defect structure of the electrolytic copper coatings formed upon mechanical activation of a cathode is described. These coatings are shown to have a fragmented structure containing disclination-type defects, namely, terminating dislocation, disclination and twin boundaries; partial disclinations, misorientation bands; and twin layers. They have both growth and deformation origins. The mechanisms of formation of the structural defects are discussed. It is experimentally proved that part of the elastic energy stored in the crystal volume during electrocrystallization can be converted into surface energy. As a result, catalytically active materials with a large developed surface can be synthesized.

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

NASA Astrophysics Data System (ADS)

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.

Structural defects in GaN revealed by Transmission Electron Microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liliental-Weber, Zuzanna

This paper reviews the various types of structural defects observed by Transmission Electron Microscopy in GaN heteroepitaxial layers grown on foreign substrates and homoepitaxial layers grown on bulk GaN substrates. The structural perfection of these layers is compared to the platelet self-standing crystals grown by High Nitrogen Pressure Solution. Defects in undoped and Mg doped GaN are discussed. Lastly, some models explaining the formation of inversion domains in heavily Mg doped layers that are possible defects responsible for the difficulties of p-doping in GaN are also reviewed.

Structural defects in GaN revealed by Transmission Electron Microscopy

DOE PAGES

Liliental-Weber, Zuzanna

2014-09-08

This paper reviews the various types of structural defects observed by Transmission Electron Microscopy in GaN heteroepitaxial layers grown on foreign substrates and homoepitaxial layers grown on bulk GaN substrates. The structural perfection of these layers is compared to the platelet self-standing crystals grown by High Nitrogen Pressure Solution. Defects in undoped and Mg doped GaN are discussed. Lastly, some models explaining the formation of inversion domains in heavily Mg doped layers that are possible defects responsible for the difficulties of p-doping in GaN are also reviewed.

Extending X-Ray Crystallography to Allow the Imaging of Noncrystalline Materials, Cells, and Single Protein Complexes

NASA Astrophysics Data System (ADS)

Miao, Jianwei; Ishikawa, Tetsuya; Shen, Qun; Earnest, Thomas

2008-05-01

In 1999, researchers extended X-ray crystallography to allow the imaging of noncrystalline specimens by measuring the X-ray diffraction pattern of a noncrystalline specimen and then directly phasing it using the oversampling method with iterative algorithms. Since then, the field has evolved moving in three important directions. The first is the 3D structural determination of noncrystalline materials, which includes the localization of the defects and strain field inside nanocrystals, and quantitative 3D imaging of disordered materials such as nanoparticles and biomaterials. The second is the 3D imaging of frozen-hydrated whole cells at a resolution of 10 nm or better. A main thrust is to localize specific multiprotein complexes inside cells. The third is the potential of imaging single large protein complexes using extremely intense and ultrashort X-ray pulses. In this article, we review the principles of this methodology, summarize recent developments in each of the three directions, and illustrate a few examples.

Structural, electrical, and optical characterization of coalescent p-n GaN nanowires grown by molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolkovsky, Vl.; Zytkiewicz, Z. R.; Sobanska, M.

2015-12-14

The electrical, structural, and optical properties of coalescent p-n GaN nanowires (NWs) grown by molecular beam epitaxy on Si (111) substrate are investigated. From photoluminescence measurements the full width at half maximum of bound exciton peaks AX and DA is found as 1.3 and 1.2 meV, respectively. These values are lower than those reported previously in the literature. The current-voltage characteristics show the rectification ratio of about 10{sup 2} and the leakage current of about 10{sup −4} A/cm{sup 2} at room temperature. We demonstrate that the thermionic mechanism is not dominant in these samples and spatial inhomogeneties and tunneling processes through amore » ∼2 nm thick SiN{sub x} layer between GaN and Si could be responsible for deviation from the ideal diode behavior. The free carrier concentration in GaN NWs determined by capacitance-voltage measurements is about 4 × 10{sup 15 }cm{sup −3}. Two deep levels (H190 and E250) are found in the structures. We attribute H190 to an extended defect located at the interface between the substrate and the SiN{sub x} interlayer or near the sidewalls at the bottom of the NWs, whereas E250 is tentatively assigned to a gallium-vacancy- or nitrogen interstitials-related defect.« less

Variations on a theme - the evolution of hydrocarbon solids. I. Compositional and spectral modelling - the eRCN and DG models

NASA Astrophysics Data System (ADS)

Jones, A. P.

2012-04-01

Context. The compositional properties of hydrogenated amorphous carbons are known to evolve in response to the local conditions. Aims: We present a model for low-temperature, amorphous hydrocarbon solids, based on the microphysical properties of random and defected networks of carbon and hydrogen atoms, that can be used to study and predict the evolution of their properties in the interstellar medium. Methods: We adopt an adaptable and prescriptive approach to model these materials, which is based on a random covalent network (RCN) model, extended here to a full compositional derivation (the eRCN model), and a defective graphite (DG) model for the hydrogen poorer materials where the eRCN model is no longer valid. Results: We provide simple expressions that enable the determination of the structural, infrared and spectral properties of amorphous hydrocarbon grains as a function of the hydrogen atomic fraction, XH. Structural annealing, resulting from hydrogen atom loss, results in a transition from H-rich, aliphatic-rich to H-poor, aromatic-rich materials. Conclusions: The model predicts changes in the optical properties of hydrogenated amorphous carbon dust in response to the likely UV photon-driven and/or thermal annealing processes resulting, principally, from the radiation field in the environment. We show how this dust component will evolve, compositionally and structurally in the interstellar medium in response to the local conditions. Appendices A and B are available in electronic form at http://www.aanda.org

Topological defects in electric double layers of ionic liquids at carbon interfaces

DOE PAGES

Black, Jennifer M.; Okatan, Mahmut Baris; Feng, Guang; ...

2015-06-07

The structure and properties of the electrical double layer in ionic liquids is of interest in a wide range of areas including energy storage, catalysis, lubrication, and many more. Theories describing the electrical double layer for ionic liquids have been proposed, however a full molecular level description of the double layer is lacking. To date, studies have been predominantly focused on ion distributions normal to the surface, however the 3D nature of the electrical double layer in ionic liquids requires a full picture of the double layer structure not only normal to the surface, but also in plane. Here wemore » utilize 3D force mapping to probe the in plane structure of an ionic liquid at a graphite interface and report the direct observation of the structure and properties of topological defects. The observation of ion layering at structural defects such as step-edges, reinforced by molecular dynamics simulations, defines the spatial resolution of the method. Observation of defects allows for the establishment of the universality of ionic liquid behavior vs. separation from the carbon surface and to map internal defect structure. In conclusion, these studies offer a universal pathway for probing the internal structure of topological defects in soft condensed matter on the nanometer level in three dimensions.« less

Rectangular microstrip antenna with corrugation like defects at radiating edge: A new approach to reduce cross polarization radiation

NASA Astrophysics Data System (ADS)

Pawar, U. A.; Mondal, D.; Nagaraju, A.; Chakraborty, S.; Singh, L. L. K.; Chattopadhyay, S.

2018-03-01

In this paper, single layer, simple and compact RMA, with corrugation like defects at the radiating edge, is studied thoroughly to reduce XP radiation from the patch. Unlike the earlier works reported on defected ground structure integrated patches and defect patch structures, in this work, corrugation like linear defects have been placed at the radiating edges of the patch to reduce cross polarisation radiation. Around 30-40 dB of CP-XP isolation is observed in H-plane with 7% impedance bandwidth and in E-plane also, more than 55 dB CP-XP isolation is found. The proposed structure is very simple to design and easy to fabricate.

Dipole oscillations of a Bose-Einstein condensate in the presence of defects and disorder.

PubMed

Albert, M; Paul, T; Pavloff, N; Leboeuf, P

2008-06-27

We consider dipole oscillations of a trapped dilute Bose-Einstein condensate in the presence of a scattering potential consisting either in a localized defect or in an extended disordered potential. In both cases the breaking of superfluidity and the damping of the oscillations are shown to be related to the appearance of a nonlinear dissipative flow. At supersonic velocities the flow becomes asymptotically dissipationless.

Nondestructive optical testing of the materials surface structure based on liquid crystals

NASA Astrophysics Data System (ADS)

Tomilin, M. G.; Stafeev, S. K.

2011-08-01

Thin layers of nematic liquid crystals (NLCs) may be used as recording media for visualizing structural and microrelief defects, distribution of low power physical fields and modifications of the surface. NLCs are more sensitive in comparison with cholesteric and smectic LCs having super molecular structures. The detecting properties of NLCs are based on local layers deformation, induced by surface fields and observed in polarizing microscope. The structural surface defects or physical field's distribution are dramatically change the distribution of surface tension. Surface defects recording becomes possible if NLC deformed structure is illuminated in transparent or reflective modes and observed in optical polarizing microscope and appearing image is compared with background structure. In this case one observes not the real defect but the local deformation in NLCs. The theory was developed to find out the real size of defects. The resolution of NLC layer is more than 2000 lines/mm. The fields of NLC application are solid crystals symmetry, minerals, metals, semiconductors, polymers and glasses structure inhomogeneities and optical coatings defects detecting. The efficiency of NLC method in biophotonics is illustrated by objective detecting cancer tissues character and visualizing the interaction traces of grippe viruses with antibodies. NLCs may detect solvent components structure in tea, wine and perfume giving unique information of their structure. It presents diagnostic information alternative to dyes and fluorescence methods. For the first time the structures of some juices and beverages are visualized to illustrate the unique possibilities of NLCs.

Progressive Fracture of Fiber Composite Thin Shell Structures Under Internal Pressure and Axial Loads

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.; Chamis, Christos C.; Minnetyan, Levon

1996-01-01

Graphite/epoxy composite thin shell structures were simulated to investigate damage and fracture progression due to internal pressure and axial loading. Defective and defect-free structures (thin cylinders) were examined. The three different laminates examined had fiber orientations of (90/0/+/-0)(sub s), where 0 is 45, 60, and 75 deg. CODSTRAN, an integrated computer code that scales up constituent level properties to the structural level and accounts for all possible failure modes, was used to simulate composite degradation under loading. Damage initiation, growth, accumulation, and propagation to fracture were included in the simulation. Burst pressures for defective and defect-free shells were compared to evaluate damage tolerance. The results showed that damage initiation began with matrix failure whereas damage and/or fracture progression occurred as a result of additional matrix failure and fiber fracture. In both thin cylinder cases examined (defective and defect-free), the optimum layup configuration was (90/0/+/-60)(sub s) because it had the best damage tolerance with respect to the burst pressure.

Structural hierarchies define toughness and defect-tolerance despite simple and mechanically inferior brittle building blocks

NASA Astrophysics Data System (ADS)

Sen, Dipanjan; Buehler, Markus J.

2011-07-01

Mineralized biological materials such as bone, sea sponges or diatoms provide load-bearing and armor functions and universally feature structural hierarchies from nano to macro. Here we report a systematic investigation of the effect of hierarchical structures on toughness and defect-tolerance based on a single and mechanically inferior brittle base material, silica, using a bottom-up approach rooted in atomistic modeling. Our analysis reveals drastic changes in the material crack-propagation resistance (R-curve) solely due to the introduction of hierarchical structures that also result in a vastly increased toughness and defect-tolerance, enabling stable crack propagation over an extensive range of crack sizes. Over a range of up to four hierarchy levels, we find an exponential increase in the defect-tolerance approaching hundred micrometers without introducing additional mechanisms or materials. This presents a significant departure from the defect-tolerance of the base material, silica, which is brittle and highly sensitive even to extremely small nanometer-scale defects.

Decoupling the Effects of Mass Density and Hydrogen-, Oxygen-, and Aluminum-Based Defects on Optoelectronic Properties of Realistic Amorphous Alumina.

PubMed

Riffet, Vanessa; Vidal, Julien

2017-06-01

The search for functional materials is currently hindered by the difficulty to find significant correlation between constitutive properties of a material and its functional properties. In the case of amorphous materials, the diversity of local structures, chemical composition, impurities and mass densities makes such a connection difficult to be addressed. In this Letter, the relation between refractive index and composition has been investigated for amorphous AlO x materials, including nonstoichiometric AlO x , emphasizing the role of structural defects and the absence of effect of the band gap variation. It is found that the Newton-Drude (ND) relation predicts the refractive index from mass density with a rather high level of precision apart from some structures displaying structural defects. Our results show especially that O- and Al-based defects act as additive local disturbance in the vicinity of band gap, allowing us to decouple the mass density effects from defect effects (n = n[ND] + Δn defect ).

Growth behavior of carbon nanotubes on multilayered metal catalyst film in chemical vapor deposition

NASA Astrophysics Data System (ADS)

Cui, H.; Eres, G.; Howe, J. Y.; Puretkzy, A.; Varela, M.; Geohegan, D. B.; Lowndes, D. H.

2003-06-01

The temperature and time dependences of carbon nanotube (CNT) growth by chemical vapor deposition are studied using a multilayered Al/Fe/Mo catalyst on silicon substrates. Within the 600-1100 °C temperature range of these studies, narrower temperature ranges were determined for the growth of distinct types of aligned multi-walled CNTs and single-walled CNTs by using high-resolution transmission electron microscopy and Raman spectroscopy. At 900 °C, in contrast to earlier work, double-walled CNTs are found more abundant than single-walled CNTs. Defects also are found to accumulate faster than the ordered graphitic structure if the growth of CNTs is extended to long durations.

Dispersion properties of plasma cladded annular optical fiber

NASA Astrophysics Data System (ADS)

KianiMajd, M.; Hasanbeigi, A.; Mehdian, H.; Hajisharifi, K.

2018-05-01

One of the considerable problems in a conventional image transferring fiber optic system is the two-fold coupling of propagating hybrid modes. In this paper, using a simple and practical analytical approach based on exact modal vectorial analysis together with Maxwell's equations, we show that applying plasma as a cladding medium of an annular optical fiber can remove this defect of conventional fiber optic automatically without any external instrument as the polarization beam splitter. Moreover, the analysis indicates that the presence of plasma in the proposed optical fiber could extend the possibilities for controlling the propagation property. The proposed structure presents itself as a promising route to advanced optical processing and opens new avenues in applied optics and photonics.

Ehlers-Danlos syndrome associated with fatal spontaneous vascular rupture in a dog.

PubMed

Uri, M; Verin, R; Ressel, L; Buckley, L; McEwan, N

2015-01-01

A 7-month-old male cross breed dog was presented with hyperextensible skin and atrophic scarring. A diagnosis of Ehlers-Danlos syndrome was made based on clinical signs, histopathology and electron microscopy. Two weeks after presentation, the dog died suddenly. Post-mortem examination revealed haemothorax and rupture of the left subclavian artery. Histological findings, including Goldner's modified Masson's trichrome staining and transmission electron microscopy of the subclavian artery, revealed abnormalities in the structure and arrangement of collagen fibrils, suggesting that the defective collagen formation extended to the vasculature. To the authors' knowledge, this is the first report of Ehlers-Danlos syndrome with vascular involvement in animals. Copyright © 2014 Elsevier Ltd. All rights reserved.

Waltzing route toward double-helix formation in cholesteric shells

NASA Astrophysics Data System (ADS)

Darmon, Alexandre; Benzaquen, Michael; Seč, David; Čopar, Simon; Dauchot, Olivier; Lopez-Leon, Teresa

2016-08-01

Liquid crystals, when confined to a spherical shell, offer fascinating possibilities for producing artificial mesoscopic atoms, which could then self-assemble into materials structured at a nanoscale, such as photonic crystals or metamaterials. The spherical curvature of the shell imposes topological constraints in the molecular ordering of the liquid crystal, resulting in the formation of defects. Controlling the number of defects, that is, the shell valency, and their positions, is a key success factor for the realization of those materials. Liquid crystals with helical cholesteric order offer a promising, yet unexplored way of controlling the shell defect configuration. In this paper, we study cholesteric shells with monovalent and bivalent defect configurations. By bringing together experiments and numerical simulations, we show that the defects appearing in these two configurations have a complex inner structure, as recently reported for simulated droplets. Bivalent shells possess two highly structured defects, which are composed of a number of smaller defect rings that pile up through the shell. Monovalent shells have a single radial defect, which is composed of two nonsingular defect lines that wind around each other in a double-helix structure. The stability of the bivalent configuration against the monovalent one is controlled by c = h/p, where h is the shell thickness and p the cholesteric helical pitch. By playing with the shell geometry, we can trigger the transition between the two configurations. This transition involves a fascinating waltz dynamics, where the two defects come closer while turning around each other.

Free Boomerang-shaped Extended Rectus Abdominis Myocutaneous flap: The longest possible skin/myocutaneous free flap for soft tissue reconstruction of extremities

PubMed Central

Koul, Ashok R.; Nahar, Sushil; Prabhu, Jagdish; Kale, Subhash M.; Kumar, Praveen H. P.

2011-01-01

Background: A soft tissue defect requiring flap cover which is longer than that provided by the conventional “long” free flaps like latissimus dorsi (LD) and anterolateral thigh (ALT) flap is a challenging problem. Often, in such a situation, a combination of flaps is required. Over the last 3 years, we have managed nine such defects successfully with a free “Boomerang-shaped” Extended Rectus Abdominis Myocutaneous (BERAM) flap. This flap is the slightly modified and “free” version of a similar flap described by Ian Taylor in 1983. Materials and Methods: This is a retrospective study of patients who underwent free BERAM flap reconstruction of soft tissue defects of extremity over the last 3 years. We also did a clinical study on 30 volunteers to compare the length of flap available using our design of BERAM flap with the maximum available flap length of LD and ALT flaps, using standard markings. Results: Our clinical experience of nine cases combined with the results of our clinical study has confirmed that our design of BERAM flap consistently provides a flap length which is 32.6% longer than the standard LD flap and 42.2% longer than the standard ALT flap in adults. The difference is even more marked in children. The BERAM flap is consistently reliable as long as the distal end is not extended beyond the mid-axillary line. Conclusion: BERAM flap is simple in design, easy to harvest, reliable and provides the longest possible free skin/myocutaneous flap in the body. It is a useful new alternative for covering long soft tissue defects in the limbs. PMID:22279271

Graphene materials having randomly distributed two-dimensional structural defects

DOEpatents

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

2013-10-08

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

Graphene materials having randomly distributed two-dimensional structural defects

DOEpatents

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

2016-05-31

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

Space-charge Effect on Electroresistance in Metal-Ferroelectric-Metal capacitors

PubMed Central

Tian, Bo Bo; Liu, Yang; Chen, Liu Fang; Wang, Jian Lu; Sun, Shuo; Shen, Hong; Sun, Jing Lan; Yuan, Guo Liang; Fusil, Stéphane; Garcia, Vincent; Dkhil, Brahim; Meng, Xiang Jian; Chu, Jun Hao

2015-01-01

Resistive switching through electroresistance (ER) effect in metal-ferroelectric-metal (MFM) capacitors has attracted increasing interest due to its potential applications as memories and logic devices. However, the detailed electronic mechanisms resulting in large ER when polarisation switching occurs in the ferroelectric barrier are still not well understood. Here, ER effect up to 1000% at room temperature is demonstrated in C-MOS compatible MFM nanocapacitors with a 8.8 nm-thick poly(vinylidene fluoride) (PVDF) homopolymer ferroelectric, which is very promising for silicon industry integration. Most remarkably, using theory developed for metal-semiconductor rectifying contacts, we derive an analytical expression for the variation of interfacial barrier heights due to space-charge effect that can interpret the observed ER response. We extend this space-charge model, related to the release of trapped charges by defects, to MFM structures made of ferroelectric oxides. This space-charge model provides a simple and straightforward tool to understand recent unusual reports. Finally, this work suggests that defect-engineering could be an original and efficient route for tuning the space-charge effect and thus the ER performances in future electronic devices. PMID:26670138

Essential role for the alpha 1 chain of type VIII collagen in zebrafish notochord formation.

PubMed

Gansner, John M; Gitlin, Jonathan D

2008-12-01

Several zebrafish mutants identified in large-scale forward genetic screens exhibit notochord distortion. We now report the cloning and further characterization of one such mutant, gulliver(m208) (gul(m208)). The notochord defect in gul(m208) mutants is exacerbated under conditions of copper depletion or lysyl oxidase cuproenzyme inhibition that are without a notochord effect on wild-type embryos. The gul(m208) phenotype results from a missense mutation in the gene encoding Col8a1, a lysyl oxidase substrate, and morpholino knockdown of col8a1 recapitulates the notochord distortion observed in gul(m208) mutants. Of interest, the amino acid mutated in gul(m208) Col8a1 is highly conserved, and the equivalent substitution in a closely related human protein, COL10A1, causes Schmid metaphyseal chondrodysplasia. Taken together, the data identify a new protein essential for notochord morphogenesis, extend our understanding of gene-nutrient interactions in early development, and suggest that human mutations in COL8A1 may cause structural birth defects. (c) 2008 Wiley-Liss, Inc.

Space-charge Effect on Electroresistance in Metal-Ferroelectric-Metal capacitors

NASA Astrophysics Data System (ADS)

Tian, Bo Bo; Liu, Yang; Chen, Liu Fang; Wang, Jian Lu; Sun, Shuo; Shen, Hong; Sun, Jing Lan; Yuan, Guo Liang; Fusil, Stéphane; Garcia, Vincent; Dkhil, Brahim; Meng, Xiang Jian; Chu, Jun Hao

2015-12-01

Resistive switching through electroresistance (ER) effect in metal-ferroelectric-metal (MFM) capacitors has attracted increasing interest due to its potential applications as memories and logic devices. However, the detailed electronic mechanisms resulting in large ER when polarisation switching occurs in the ferroelectric barrier are still not well understood. Here, ER effect up to 1000% at room temperature is demonstrated in C-MOS compatible MFM nanocapacitors with a 8.8 nm-thick poly(vinylidene fluoride) (PVDF) homopolymer ferroelectric, which is very promising for silicon industry integration. Most remarkably, using theory developed for metal-semiconductor rectifying contacts, we derive an analytical expression for the variation of interfacial barrier heights due to space-charge effect that can interpret the observed ER response. We extend this space-charge model, related to the release of trapped charges by defects, to MFM structures made of ferroelectric oxides. This space-charge model provides a simple and straightforward tool to understand recent unusual reports. Finally, this work suggests that defect-engineering could be an original and efficient route for tuning the space-charge effect and thus the ER performances in future electronic devices.

The effect of 45° grain boundaries and associated Fe particles on Jc and resistivity in Ba(Fe0.9Co0.1)2As2 thin films

NASA Astrophysics Data System (ADS)

Hänisch, J.; Iida, K.; Kurth, F.; Thersleff, T.; Trommler, S.; Reich, E.; Hühne, R.; Schultz, L.; Holzapfel, B.

2014-01-01

The anisotropy of the critical current density Jc depends in general on both the properties of the flux lines (such as line tension, coherence length and penetration depth) and the properties of the defects (such as density, shape, orientation etc.). Whereas the Jc anisotropy in microstructurally clean films can be scaled to an effective magnetic field containing the Ginzburg-Landau anisotropy term, it is in general not possible (or only in a limited field range) for samples containing extended defects. Here, the Jc anisotropy of a Co-doped BaFe2As2 sample with 45° [001] tilt grain boundaries (GBs), i.e. grain boundaries created by 45° in-plane rotated grains, as well as extended Fe particles is investigated. This microstructure leads to c-axis correlated pinning, both due to the GBs and the Fe particles and manifests in a c-axis peak in the Jc anisotropy at low magnetic fields and a deviation from the anisotropic Ginzburg-Landau scaling at higher fields. Strong pinning at ellipsoidal extended defects, i.e. the Fe particles, is discussed, and the full Jc anisotropy is fitted successfully with the vortex path model. The results are compared to a sample without GBs and Fe particles. 45° GBs seem to be good pinning centers rather than detrimental to current flow.

Improved detection following Neuro-Eye Therapy in patients with post-geniculate brain damage.

PubMed

Sahraie, Arash; Macleod, Mary-Joan; Trevethan, Ceri T; Robson, Siân E; Olson, John A; Callaghan, Paula; Yip, Brigitte

2010-09-01

Damage to the optic radiation or the occipital cortex results in loss of vision in the contralateral visual field, termed partial cortical blindness or hemianopia. Previously, we have demonstrated that stimulation in the field defect using visual stimuli with optimal properties for blindsight detection can lead to increases in visual sensitivity within the blind field of a group of patients. The present study was aimed to extend the previous work by investigating the effect of positive feedback on recovery of visual sensitivity. Patients' abilities for detection of a range of spatial frequencies within their field defect were determined using a temporal two-alternative forced-choice technique, before and after a period of visual training (n = 4). Patients underwent Neuro-Eye Therapy which involved detection of temporally modulated spatial grating patches at specific retinal locations within their field defect. Three patients showed improved detection ability following visual training. Based on our previous studies, we had hypothesised that should the occipital brain lesion extend anteriorly to the thalamus, little recovery would be expected. Here, we describe one such case who showed no improvements after extensive training. The present study provides further evidence that recovery (a) can be gradual and may require a large number of training sessions (b) can be accelerated using positive feedback and (c) may be less likely to take place if the occipital damage extends anteriorly to the thalamus.

Qualitative photoluminescence study of defect activation in telecommunication fibers and Bragg gratings in hydrogen-loaded fibers

NASA Astrophysics Data System (ADS)

Bastola, B.; Fischer, B.; Roths, J.; Ruediger, A.

2018-07-01

Despite the relevance of glass fibers and integrated optical circuits for an increasing number of cutting-edge applications ranging from telecommunication to sensing and quantum photonics, the knowledge about their structural and chemical properties is still in its infancy. Optical spectroscopy techniques are challenged due to the intrinsically low cross-sections for inelastic processes. Our approach is to detect these properties along the core, extending the interaction to the fiber length. We report on in-situ temperature-dependent photoluminescence (PL) measurements in transmission geometry of a) pristine optical glass fibers (standard commercial telecom grade and different types of photosensitive fibers) and b) type I fiber Bragg grating (FBG) in hydrogen-loaded fibers of the same type. A laser with 473 nm wavelength and TEM 00 mode is coupled to an optical spectrometer through different fibers. The fibers are thermally cycled between room temperature and 950° Celsius. As a first observation, we detect a clearly visible red emission from the uncoated fibers at the location of the fiber Bragg grating. Fitting the luminescence spectra with a single Gaussian and monitoring the intensity as a function of temperature reveals an irreversible, thermally activated degradation of the luminescence associated to the fiber Bragg gratings. A closer inspection of pristine glass fibers without FBG revealed a faint, yet thermally stable luminescence with similar spectral characteristics. Analyzing qualitative data for two consecutive heating cycles confirmed two distinct activation energies. This may be due to several reasons such as different defects at the basis of this emission or different structural or chemical environments for the same defect. Further experiment will be carried out in the future to investigate the main reason of two distinct activation energies.

Theoretical calculations of positron annihilation characteristics in inorganic solids -- Recent advances and problems

NASA Astrophysics Data System (ADS)

Sob, M.; Sormann, H.; Kuriplach, J.

Principles and applications of positron annihilation spectroscopy to electronic structure and defect studies are briefly reviewed and some recent advances and pending problems are illustrated by specific examples. In particular, it turns out that the sensitivity of calculated momentum densities of electron-positron annihilation pairs (MDAP) to the choice of electron crystal potential is higher or comparable to its sensitivity with respect to the choice of description of the electron-positron interaction. As a result, it is very hard to distinguish between various electron-positron interaction theories on the basis of the comparison of theoretical and experimental MDAPs. Furthermore, the positron affinity is determined theorttically for several systems having a band gap (semiconductors, insulators). It appears that the calculated positron affinities are significantly underestimated when compared to experimental data and, apparently, electron-positron interactions in such systems are not described satisfactorily by contemporary theoretical approaches. The above examples are related rather to electronic structure studies, but positrons are often used to investigate various open-volume defects in solids, which is dealt with in the last illustration. A non-selfconsistent computational technique suitable for the theoretical examination of configurations having large number (thousands) of non-equivalent atoms has been updated recently to treat non-periodic solids. It is based on the superposition of atomic densities in order to approximate the electronic density of the system studied. Though the charge redistribution due to selfconsistency effects is neglected, positron annihilation characteristics are determined quite reasonably. This allows for studying properties of extended defects like grain boundaries (and other interfaces), dislocations, precipitates, etc., which is very helpful when interpreting experimental positron annihilation data. Our technique is demonstrated for the case of nanocrystalline Ni where realistic atomic configurations are taken from large-scale molecular dynamics simulations.

Defect formation energy in pyrochlore: the effect of crystal size

NASA Astrophysics Data System (ADS)

Wang, Jianwei; Ewing, Rodney C.; Becker, Udo

2014-09-01

Defect formation energies of point defects of two pyrochlores Gd2Ti2O7 and Gd2Zr2O7 as a function of crystal size were calculated. Density functional theory with plane-wave basis sets and the projector-augmented wave method were used in the calculations. The results show that the defect formation energies of the two pyrochlores diverge as the size decreases to the nanometer range. For Gd2Ti2O7 pyrochlore, the defect formation energy is higher at nanometers with respect to that of the bulk, while it is lower for Gd2Zr2O7. The lowest defect formation energy for Gd2Zr2O7 is found at 15-20 Å. The different behaviors of the defect formation energies as a function of crystal size are caused by different structural adjustments around the defects as the size decreases. For both pyrochlore compositions at large sizes, the defect structures are similar to those of the bulk. As the size decreases, for Gd2Ti2O7, additional structure distortions appear at the surfaces, which cause the defect formation energy to increase. For Gd2Zr2O7, additional oxygen Frenkel pair defects are introduced, which reduce the defect formation energy. As the size further decreases, increased structure distortions occur at the surfaces, which cause the defect formation energy to increase. Based on a hypothesis that correlates the energetics of defect formation and radiation response for complex oxides, the calculated results suggest that at nanometer range Gd2Ti2O7 pyrochlore is expected to have a lower radiation tolerance, and those of Gd2Zr2O7 pyrochlore to have a higher radiation tolerance. The highest radiation tolerance for Gd2Zr2O7 pyrochlore is expected to be found at ˜2 nanometers.

7 CFR 51.2340 - Classification of defects.

Code of Federal Regulations, 2012 CFR

2012-01-01

... flesh extends more than 1/16 inch (1.6 mm) in depth When surface of fruit is indented and discoloration of the flesh extends deeper than 1/8 inch (3.2 mm), or causing slight discoloration exceeding the area of a circle 3/8 inch (9.5 mm) in diameter, or lesser bruises aggregating an area of a circle 3/8...

7 CFR 51.2340 - Classification of defects.

Code of Federal Regulations, 2010 CFR

2010-01-01

... flesh extends more than 1/16 inch (1.6 mm) in depth When surface of fruit is indented and discoloration of the flesh extends deeper than 1/8 inch (3.2 mm), or causing slight discoloration exceeding the area of a circle 3/8 inch (9.5 mm) in diameter, or lesser bruises aggregating an area of a circle 3/8...

7 CFR 51.2340 - Classification of defects.

Code of Federal Regulations, 2011 CFR

2011-01-01

... flesh extends more than 1/16 inch (1.6 mm) in depth When surface of fruit is indented and discoloration of the flesh extends deeper than 1/8 inch (3.2 mm), or causing slight discoloration exceeding the area of a circle 3/8 inch (9.5 mm) in diameter, or lesser bruises aggregating an area of a circle 3/8...

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choudhury, Samrat; Morgan, Dane; Uberuaga, Blas P.

Electronic structure calculations were performed to study the role of misfit dislocations on the structure and chemistry of a metal/oxide interface. We found that a chemical imbalance exists at the misfit dislocation which leads to dramatic changes in the point defect content at the interface – stabilizing the structure requires removing as much as 50% of the metal atoms and insertion of a large number of oxygen interstitials. The exact defect composition that stabilizes the interface is sensitive to the external oxygen partial pressure. We relate the preferred defect structure at the interface to a competition between chemical and strainmore » energies as defects are introduced.« less

Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces

DOE PAGES

Choudhury, Samrat; Morgan, Dane; Uberuaga, Blas P.

2014-10-17

Electronic structure calculations were performed to study the role of misfit dislocations on the structure and chemistry of a metal/oxide interface. We found that a chemical imbalance exists at the misfit dislocation which leads to dramatic changes in the point defect content at the interface – stabilizing the structure requires removing as much as 50% of the metal atoms and insertion of a large number of oxygen interstitials. The exact defect composition that stabilizes the interface is sensitive to the external oxygen partial pressure. We relate the preferred defect structure at the interface to a competition between chemical and strainmore » energies as defects are introduced.« less

Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies

DOE PAGES

Seo, Hosung; Govoni, Marco; Galli, Giulia

2016-02-15

Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we introduce a strain-driven scheme to rationally design defect spins in functional ionic crystals, which may operate as potential qubits. In particular, using a combination of state-of-the-art ab-initio calculations based on hybrid density functional and many-body perturbation theory, we predicted that the negatively charged nitrogen vacancy center in piezoelectric aluminum nitride exhibits spin-triplet ground states under realistic uni- and bi-axial strain conditions; such states maymore » be harnessed for the realization of qubits. As a result, the strain-driven strategy adopted here can be readily extended to a wide range of point defects in other wide-band gap semiconductors, paving the way to controlling the spin properties of defects in ionic systems for potential spintronic technologies.« less

Adsorption Site of Gas Molecules on Defective Armchair Graphene Nanoribbon Formed Through Ion Bombardment

NASA Astrophysics Data System (ADS)

Auzar, Zuriana; Johari, Zaharah; Sakina, S. H.; Alias, N. Ezaila

2018-02-01

High sensitivity and selectivity is desired in sensing devices. The aim of this study is to investigate the use of the ion bombardment process in creating a defect on graphene nanoribbons (GNR), which significantly affects sensing properties, in particular adsorption energy, charge transfer and sensitivity. A process has been developed to form the defect on the GNR surface using molecular dynamic (MD) with a reactive force field with nitrogen ion. The sensing properties were calculated using the extended Huckel theory when oxygen (O2) and ammonia (NH3) molecules are exposed to different areas on the defective site. Through simulation, it was found that the ion bombardment process formed various types of defects on the GNR surface. Most notably, molecules adsorbed on the ripple area considerably improve the sensitivity by more than 50%. This indicates that the defect on the armchair graphene nanoribbon (AGNR) surface can be a method to enhance graphene-based sensing performance.

Polydispersity-driven topological defects as order-restoring excitations.

PubMed

Yao, Zhenwei; Olvera de la Cruz, Monica

2014-04-08

The engineering of defects in crystalline matter has been extensively exploited to modify the mechanical and electrical properties of many materials. Recent experiments on manipulating extended defects in graphene, for example, show that defects direct the flow of electric charges. The fascinating possibilities offered by defects in two dimensions, known as topological defects, to control material properties provide great motivation to perform fundamental investigations to uncover their role in various systems. Previous studies mostly focus on topological defects in 2D crystals on curved surfaces. On flat geometries, topological defects can be introduced via density inhomogeneities. We investigate here topological defects due to size polydispersity on flat surfaces. Size polydispersity is usually an inevitable feature of a large variety of systems. In this work, simulations show well-organized induced topological defects around an impurity particle of a wrong size. These patterns are not found in systems of identical particles. Our work demonstrates that in polydispersed systems topological defects play the role of restoring order. The simulations show a perfect hexagonal lattice beyond a small defective region around the impurity particle. Elasticity theory has demonstrated an analogy between the elementary topological defects named disclinations to electric charges by associating a charge to a disclination, whose sign depends on the number of its nearest neighbors. Size polydispersity is shown numerically here to be an essential ingredient to understand short-range attractions between like-charge disclinations. Our study suggests that size polydispersity has a promising potential to engineer defects in various systems including nanoparticles and colloidal crystals.

Role of Defects on Regioselectivity of Nano Pristine Graphene.

PubMed

Kudur Jayaprakash, Gururaj; Casillas, Norberto; Astudillo-Sánchez, Pablo D; Flores-Moreno, Roberto

2016-11-17

Here analytical Fukui functions based on density functional theory are applied to investigate the redox reactivity of pristine and defected graphene lattices. A carbon H-terminated graphene structure (with 96 carbon atoms) and a graphene defected surface with Stone-Wales rearrangement and double vacancy defects are used as models. Pristine sp 2 -hybridized, hexagonal arranged carbon atoms exhibit a symmetric reactivity. In contrast, common carbon atoms at reconstructed polygons in Stone-Wales and double vacancy graphene display large reactivity variations. The improved reactivity and the regioselectivity at defected graphene is correlated to structural changes that caused carbon-carbon bond length variations at defected zones.

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

PubMed Central

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; Lian, Guoda; Wang, Jinguo; Buurma, Christopher; Chan, Maria K. Y.; Klie, Robert F.; Kim, Moon J.

2016-01-01

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/(110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. This report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis. PMID:27255415

Irradiation effects in UO2 and CeO2

NASA Astrophysics Data System (ADS)

Ye, Bei; Oaks, Aaron; Kirk, Mark; Yun, Di; Chen, Wei-Ying; Holtzman, Benjamin; Stubbins, James F.

2013-10-01

Single crystal CeO2, as a surrogate material to UO2, was irradiated with 500 keV xenon ions at 800 °C while being observed using in situ transmission electron microscopy (TEM). Experimental results show the formation and growth of defect clusters including dislocation loops and cavities as a function of increasing atomic displacement dose. At high dose, the dislocation loop structure evolves into an extended dislocation line structure, which appears to remain stable to the high dose levels examined in this study. A high concentration of cavities was also present in the microstructure. Despite high atomic displacement doses, the specimen remained crystalline to a cumulated dose of 5 × 1015 ions/cm2, which is consistent with the known stability of the fluorite structure under high dose irradiation. Kinetic Monte Carlo calculations show that oxygen mobility is substantially higher in hypo-stoichiometric UO2/CeO2 than hyper-stoichiometric systems. This result is consistent with the ability of irradiation damage to recover even at intermediate irradiation temperatures.

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

DOE PAGES

Sun, Ce; Paulauskas, Tadas; Sen, Fatih G.; ...

2016-06-03

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocationmore » cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.« less

7 CFR 1924.253 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... structural defect. (d) Structural defect. A defect in the dwelling or unit, installation or set-up of a unit... of the dwelling or unit or site such as faulty wiring, or failure of sewage disposal or water supply systems located on the property securing the loan caused by faulty materials or improper installation. (3...

The Intra-Umbilical Approach in Umbilical Hernia

PubMed Central

Arslan, Sukru; Korkut, Ercan

2014-01-01

Objective: To investigate the “intra-umbilical incision”, a smaller incision compared to classic incisions, in cases of umbilical hernia, and which we believe will contribute to patient satisfaction in aesthetic terms, and also the practicability of such operations. Materials and Methods: The umbilical margins of eight patients with an umbilical hernia were marked between the levels of 6 and 12 o’clock, and a median intra-umbilical skin incision was performed between these two points. In some cases, where exploration could not be performed sufficiently, the incision was extended horizontally from 6 or 12 o’clock. Hernia repair and mesh placement was then performed using an intra-umbilical approach. Results: Patients were investigated according to the defect size and requirement for intra-umbilical incision extension. No requirement for intra-umbilical incision was encountered in six patients with a facial defect diameter smaller than 4 cm, while the incision had to be extended in two patients with defects greater than 4 cm. Conclusion: The intra-umbilical approach in umbilical hernia surgery is aesthetically superior to classical approaches and is a practicable technique. PMID:25610291

Electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene

NASA Astrophysics Data System (ADS)

Menezes, Marcos G.; Capaz, Rodrigo B.

2015-08-01

Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz electron from the honeycomb lattice and induce a defect level near the Fermi energy. However, a vacancy also leaves unpaired σ electrons on the lattice, which lead to important structural differences and also contribute to magnetism. We explore both ABA and ABC stackings and compare properties such as formation energies, magnetic moments, spin density and the local density of states (LDOS) of the defect levels. These properties show a strong sensitivity to the layer in which the defect is placed and smaller sensitivities to sublattice placing and stacking type. Finally, for the ABC trilayer, we also study how these states behave in the presence of an external field, which opens a tunable gap in the band structure of the non-defective system. The pz defect states show a strong hybridization with band states as the field increases, with reduction and eventually loss of magnetization, and a non-magnetic, midgap-like state is found when the defect is at the middle layer.

Electronic and Structural Properties of Vacancies and Hydrogen Adsorbates on Trilayer Graphene

NASA Astrophysics Data System (ADS)

Menezes, Marcos; Capaz, Rodrigo

2015-03-01

Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz electron from the honeycomb lattice and induce a defect level near the Fermi energy. However, a vacancy also leaves unpaired σ electrons on the lattice, which lead to important structural differences and also contribute to magnetism. We explore both ABA and ABC stackings and compare properties such as formation energies, magnetic moments, spin density and the local density of states (LDOS) of the defect levels. These properties show a strong sensitivity to the layer in which the defect is placed and smaller sensitivities to sublattice placing and stacking type. Finally, for the ABC trilayer, we also study how these states behave in the presence of an external electrical field, which opens a tunable gap in the band structure of the non-defective system. The pz defect states show a strong hybridization with band states as the field increases, with reduction and eventually loss of magnetization, and a non-magnetic, midgap-like state is found when the defect is at the middle layer.

Advantages and pitfalls of an extended gene panel for investigating complex neurometabolic phenotypes.

PubMed

Reid, Emma S; Papandreou, Apostolos; Drury, Suzanne; Boustred, Christopher; Yue, Wyatt W; Wedatilake, Yehani; Beesley, Clare; Jacques, Thomas S; Anderson, Glenn; Abulhoul, Lara; Broomfield, Alex; Cleary, Maureen; Grunewald, Stephanie; Varadkar, Sophia M; Lench, Nick; Rahman, Shamima; Gissen, Paul; Clayton, Peter T; Mills, Philippa B

2016-11-01

Neurometabolic disorders are markedly heterogeneous, both clinically and genetically, and are characterized by variable neurological dysfunction accompanied by suggestive neuroimaging or biochemical abnormalities. Despite early specialist input, delays in diagnosis and appropriate treatment initiation are common. Next-generation sequencing approaches still have limitations but are already enabling earlier and more efficient diagnoses in these patients. We designed a gene panel targeting 614 genes causing inborn errors of metabolism and tested its diagnostic efficacy in a paediatric cohort of 30 undiagnosed patients presenting with variable neurometabolic phenotypes. Genetic defects that could, at least partially, explain observed phenotypes were identified in 53% of cases. Where biochemical abnormalities pointing towards a particular gene defect were present, our panel identified diagnoses in 89% of patients. Phenotypes attributable to defects in more than one gene were seen in 13% of cases. The ability of in silico tools, including structure-guided prediction programmes to characterize novel missense variants were also interrogated. Our study expands the genetic, clinical and biochemical phenotypes of well-characterized (POMGNT1, TPP1) and recently identified disorders (PGAP2, ACSF3, SERAC1, AFG3L2, DPYS). Overall, our panel was accurate and efficient, demonstrating good potential for applying similar approaches to clinically and biochemically diverse neurometabolic disease cohorts. © The Author (2016). Published by Oxford University Press on behalf of the Guarantors of Brain.

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

NASA Astrophysics Data System (ADS)

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.

Delamination Defect Detection Using Ultrasonic Guided Waves in Advanced Hybrid Structural Elements

NASA Astrophysics Data System (ADS)

Yan, Fei; Qi, Kevin ``Xue''; Rose, Joseph L.; Weiland, Hasso

2010-02-01

Nondestructive testing for multilayered structures is challenging because of increased numbers of layers and plate thicknesses. In this paper, ultrasonic guided waves are applied to detect delamination defects inside a 23-layer Alcoa Advanced Hybrid Structural plate. A semi-analytical finite element (SAFE) method generates dispersion curves and wave structures in order to select appropriate wave structures to detect certain defects. One guided wave mode and frequency is chosen to achieve large in-plane displacements at regions of interest. The interactions of the selected mode with defects are simulated using finite element models. Experiments are conducted and compared with bulk wave measurements. It is shown that guided waves can detect deeply embedded damages inside thick multilayer fiber-metal laminates with suitable mode and frequency selection.

Defect reduction of patterned media templates and disks

NASA Astrophysics Data System (ADS)

Luo, Kang; Ha, Steven; Fretwell, John; Ramos, Rick; Ye, Zhengmao; Schmid, Gerard; LaBrake, Dwayne; Resnick, Douglas J.; Sreenivasan, S. V.

2010-05-01

Imprint lithography has been shown to be an effective technique for the replication of nano-scale features. Acceptance of imprint lithography for manufacturing will require a demonstration of defect levels commensurate with cost-effective device production. This work summarizes the results of defect inspections of hard disks patterned using Jet and Flash Imprint Lithography (J-FILTM). Inspections were performed with optical based automated inspection tools. For the hard drive market, it is important to understand the defectivity of both the template and the imprinted disk. This work presents a methodology for automated pattern inspection and defect classification for imprint-patterned media. Candela CS20 and 6120 tools from KLA-Tencor map the optical properties of the disk surface, producing highresolution grayscale images of surface reflectivity and scattered light. Defects that have been identified in this manner are further characterized according to the morphology. The imprint process was tested after optimizing both the disk cleaning and adhesion layers processes that precede imprinting. An extended imprint run was performed and both the defect types and trends are reported.

Defect Tolerant Semiconductors for Solar Energy Conversion.

PubMed

Zakutayev, Andriy; Caskey, Christopher M; Fioretti, Angela N; Ginley, David S; Vidal, Julien; Stevanovic, Vladan; Tea, Eric; Lany, Stephan

2014-04-03

Defect tolerance is the tendency of a semiconductor to keep its properties despite the presence of crystallographic defects. Scientific understanding of the origin of defect tolerance is currently missing. Here we show that semiconductors with antibonding states at the top of the valence band are likely to be tolerant to defects. Theoretical calculations demonstrate that Cu3N with antibonding valence band maximum has shallow intrinsic defects and no surface states, in contrast to GaN with bonding valence band maximum. Experimental measurements indicate shallow native donors and acceptors in Cu3N thin films, leading to 10(16)-10(17) cm(-3) doping with either electrons or holes depending on the growth conditions. The experimentally measured bipolar doping and the solar-matched optical absorption onset (1.4 eV) make Cu3N a promising candidate absorber for photovoltaic and photoelectrochemical solar cells, despite the calculated indirect fundamental band gap (1.0 eV). These conclusions can be extended to other materials with antibonding character of the valence band, defining a class of defect-tolerant semiconductors for solar energy conversion applications.

The Effect of Growth Environment on the Morphological and Extended Defect Evolution in GaN Grown by Metalorganic Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Fini, P.; Wu, X.; Tarsa, E.; Golan, Y.; Srikant, V.; Keller, S.; Denbaars, S.; Speck, J.

1998-08-01

The evolution of morphology and associated extended defects in GaN thin films grown on sapphire by metalorganic chemical vapor deposition (MOCVD) are shown to depend strongly on the growth environment. For the commonly used two-step growth process, a change in growth parameter such as reactor pressure influences the initial high temperature (HT) GaN growth mechanism. By means of transmission electron microscopy (TEM), atomic force microscopy (AFM), and high resolution X-ray diffraction (HRXRD) measurements, it is shown that the initial density of HT islands on the nucleation layer (NL) and subsequently the threading dislocation density in the HT GaN film may be directly controlled by tailoring the initial HT GaN growth conditions.

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

NASA Technical Reports Server (NTRS)

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.

Investigation of surface potentials in reduced graphene oxide flake by Kelvin probe force microscopy

NASA Astrophysics Data System (ADS)

Negishi, Ryota; Takashima, Kai; Kobayashi, Yoshihiro

2018-06-01

The surface potential (SP) of reduced graphene oxide (rGO) flakes prepared by thermal treatments of GO under several conditions was analyzed by Kelvin probe force microscopy. The low-crystalline rGO flakes in which a significant amount of oxygen functional groups and structural defects remain have a much lower SP than mechanically exfoliated graphene free from oxygen and defects. On the other hand, the highly crystalline rGO flake after a thermal treatment for the efficient removal of oxygen functional groups and healing of structural defects except for domain boundary shows SP equivalent to that of the mechanically exfoliated graphene. These results indicate that the work function of rGO is sensitively modulated by oxygen functional groups and structural defects remaining after the thermal reduction process, but is not affected significantly by the domain boundary remaining after the healing of structural defects through the thermal treatment at high temperature.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE PAGES

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; ...

2016-09-09

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ciatto, G.; Fonda, E.; Trolio, A. Di

We used a synergic Co-edge X-ray absorption spectroscopy (XAS) and density functional theory calculations approach to perform a study of defects which could account for the room temperature ferromagnetism of ZnCoO, an oxide of great potential interest in semiconductor spintronics. Our results suggest that a key role is played by specific defect complexes in which O vacancies are located close to the Co atoms. Extended defects such as Co clusters have a marginal function, although we observe their formation at the epilayer surface under certain growth conditions. We also show preliminary results of the study of hydrogen-induced defects in ZnCoOmore » epilayers deliberately hydrogen irradiated via a Kaufman source. Hydrogen was in fact predicted to mediate a ferromagnetic spin-spin interaction between neighboring magnetic impurities.« less

Modeling of Powder Bed Manufacturing Defects

NASA Astrophysics Data System (ADS)

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.

Esthetic management of mucogingival defects after excision of epulis using laterally positioned flaps.

PubMed

Xie, Yu-feng; Shu, Rong; Qian, Jie-lei; Lin, Zhi-kai; Romanos, Georgios E

2015-03-01

Epulis is a benign hyperplasia of the oral soft tissues. Surgical excision always extends to the periosteum and includes scaling of adjacent teeth to remove any possible irritants. The esthetics of the soft tissues may be compromised, however. This article studies three cases in which an immediate laterally positioned flap (LRF) was used to repair mucogingival defects after epulis biopsies. After 24 months, the color and shape of the surgical areas were healthy and stable, nearly complete root coverage was evident, and no lesions reoccurred. For repairing gingival defects after biopsy, LRF appears to be minimally traumatic while promoting esthetic outcomes.

Less severe processing improves carbon nanotube photovoltaic performance

NASA Astrophysics Data System (ADS)

Shea, Matthew J.; Wang, Jialiang; Flach, Jessica T.; Zanni, Martin T.; Arnold, Michael S.

2018-05-01

Thin film semiconducting single walled carbon nanotube (s-SWCNT) photovoltaics suffer losses due to trapping and quenching of excitons by defects induced when dispersing s-SWCNTs into solution. We study these aspects by preparing photovoltaic devices from (6,5) carbon nanotubes isolated by different processes: extended ultrasonication, brief ultrasonication, and shear force mixing. Peak quantum efficiency increases from 28% to 38% to 49% as the processing harshness decreases and is attributed to both increasing s-SWCNT length and reducing sidewall defects. Fill-factor and open-circuit voltage also improve with shear force mixing, highlighting the importance of obtaining long, defect-free s-SWCNTs for efficient photoconversion devices.

Hydrogen density of states and defects densities in a-Si:H

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deane, S.C.; Powell, M.J.; Robertson, J.

1996-12-31

The properties of hydrogenated amorphous silicon (a-Si:H) and its devices depend fundamentally on the density of states (DOS) in the gap due to dangling bonds. It is generally believed that the density of dangling bonds is controlled by a chemical equilibrium with the weak Si-Si bonds which form the localized valence band tail states. Further details are given of a unified model of the hydrogen density of states and defect pool of a-Si:H. The model is compared to other defect models and extended to describe a-Si alloys and the creation of valence band tail states during growth.

Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd 2Ti 2O 7

DOE PAGES

Aidhy, Dilpuneet S.; Sachan, Ritesh; Zarkadoula, Eva; ...

2015-11-10

In this research, the structure and ion-conducting properties of the defect-fluorite ring structure formed around amorphous ion-tracks by swift heavy ion irradiation of Gd 2Ti 2O 7 pyrochlore are investigated. High angle annular dark field imaging complemented with ion-track molecular dynamics simulations show that the atoms in the ring structure are disordered, and have relatively larger cation-cation interspacing than in the bulk pyrochlore, illustrating the presence of tensile strain in the ring region. Density functional theory calculations show that the non-equilibrium defect-fluorite structure can be stabilized by tensile strain. The pyrochlore to defect-fluorite structure transformation in the ring region ismore » predicted to be induced by recrystallization during a melt-quench process and stabilized by tensile strain. Static pair-potential calculations show that planar tensile strain lowers oxygen vacancy migration barriers in pyrochlores, in agreement with recent studies on fluorite and perovskite materials. From these results, it is suggested that strain engineering could be simultaneously used to stabilize the defect-fluorite structure and gain control over its high ion-conducting properties.« less

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE PAGES

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen; ...

2016-12-14

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

First-principles investigation of the structural characteristics of LiMO2 cathode materials for lithium secondary batteries

NASA Astrophysics Data System (ADS)

Kim, Yongseon

2015-11-01

The structural features related to the defects of LiMO2 (M = Ni, Co, Mn) cathode materials for lithium secondary batteries were investigated by a simulation of phase diagrams based on first-principle calculations. Crystal models with various types of point defects were designed and dealt with as independent phases, which enabled an examination of the thermodynamic stability of the defects. A perfect phase without defects appeared to be the most stable for LiCoO2, whereas the formation of Li vacancies, O vacancies, and antisites between Li and Ni was thermodynamically unavoidable for LiNiO2. The introduction of both Co and Mn in LiNiO2 was effective in reducing the formation of point defects, but increasing the relative amount of Mn was undesirable because the antisite defect remained stable with Mn doping. The simulation showed good agreement with the experimental data and previous reports. Therefore, the method and the results of this study are expected to be useful for examining the synthesis, structure and related properties of layer-structured cathode materials.

Raman spectroscopic studies of defect structures and phase transition in hyper-stoichiometric UO(2+x).

PubMed

He, Heming; Shoesmith, David

2010-07-28

A method to determine the defect structures in hyper-stoichiometric UO(2+x) using a combination of XRD and Raman spectroscopy has been developed. A sequence of phase transitions, from cubic to tetragonal symmetry, occurs with increasing degree of non-stoichiometry. This sequence proceeds from a cubic phase through an intermediate t''-type tetragonal (axial ratio c/a = 1) phase to a final t-type tetragonal (c/a not = 1) phase. Four distinct structural defect regions can be identified in the stoichiometry range, UO(2) to U(3)O(7): (i) a random point defect structure (x (in UO(2+x)) < or = 0.05); (ii) a non-stoichiometry region (0.05 < or = x < or = 0.15) over which point defects are gradually eliminated and replaced by the Willis 2:2:2 cluster; (iii) a mixture of Willis and cuboctahedral clusters (0.15 < or = x < or = 0.23); (iv) the cuboctahedral cluster (x > or = 0.23). The geometry and steric arrangement of these defects is primarily determined by the concentration of the excess-oxygen interstitials.

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

NASA Astrophysics Data System (ADS)

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.

ZnO Schottky barriers and Ohmic contacts

NASA Astrophysics Data System (ADS)

Brillson, Leonard J.; Lu, Yicheng

2011-06-01

ZnO has emerged as a promising candidate for optoelectronic and microelectronic applications, whose development requires greater understanding and control of their electronic contacts. The rapid pace of ZnO research over the past decade has yielded considerable new information on the nature of ZnO interfaces with metals. Work on ZnO contacts over the past decade has now been carried out on high quality material, nearly free from complicating factors such as impurities, morphological and native point defects. Based on the high quality bulk and thin film crystals now available, ZnO exhibits a range of systematic interface electronic structure that can be understood at the atomic scale. Here we provide a comprehensive review of Schottky barrier and ohmic contacts including work extending over the past half century. For Schottky barriers, these results span the nature of ZnO surface charge transfer, the roles of surface cleaning, crystal quality, chemical interactions, and defect formation. For ohmic contacts, these studies encompass the nature of metal-specific interactions, the role of annealing, multilayered contacts, alloyed contacts, metallization schemes for state-of-the-art contacts, and their application to n-type versus p-type ZnO. Both ZnO Schottky barriers and ohmic contacts show a wide range of phenomena and electronic behavior, which can all be directly tied to chemical and structural changes on an atomic scale.

Characterizing Atomistic Geometries and Potential Functions Using Strain Functionals

NASA Astrophysics Data System (ADS)

Kober, Edward; Mathew, Nithin; Rudin, Sven

2017-06-01

We demonstrate the use of strain tensor functionals for characterizing arbitrarily ordered atomistic structures. This approach defines a Gaussian-weighted neighborhood around each atom and characterizes that local geometry in terms of n-th order strain tensors, which are equivalent to the n-th order moments/derivatives of the neighborhood. Fourth order expansions can distinguish the cubic structures (and deformations thereof), but sixth order expansions are required to fully characterize hexagonal structures. These functions are continuous and smooth and much less sensitive to thermal fluctuations than other descriptors based on discrete neighborhoods. Reducing these metrics to rotational invariant descriptors allows a large number of defect structures to be readily identified and forms the basis of a classification scheme that allows molecular dynamics simulations to be readily analyzed. Applications to the analysis of shock waves impinging on samples of Cu, Ta and Ti will be presented. The method has been extended to vector fields as well, enabling the local stress to be cast in terms of rotationally invariant functions as well. The stress-strain correlations can then be used as the basis for developing and analyzing potential functions.

Transforming graphene nanoribbons into nanotubes by use of point defects.

PubMed

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

2014-03-26

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

Toward superconducting critical current by design

DOE PAGES

Sadovskyy, Ivan A.; Jia, Ying; Leroux, Maxime; ...

2016-03-31

The interaction of vortex matter with defects in applied superconductors directly determines their current carrying capacity. Defects range from chemically grown nanostructures and crystalline imperfections to the layered structure of the material itself. The vortex-defect interactions are non-additive in general, leading to complex dynamic behavior that has proven difficult to capture in analytical models. With recent rapid progress in computational powers, a new paradigm has emerged that aims at simulation assisted design of defect structures with predictable ‘critical-current-by-design’: analogous to the materials genome concept of predicting stable materials structures of interest. We demonstrate the feasibility of this paradigm by combiningmore » large-scale time-dependent Ginzburg-Landau numerical simulations with experiments on commercial high temperature superconductor (HTS) containing well-controlled correlated defects.« less

Study on control of defect mode in hybrid mirror chirped porous silicon photonic crystal

NASA Astrophysics Data System (ADS)

Chen, Ying; Luo, Pei; Han, Yangyang; Cui, Xingning; He, Lei

2018-03-01

Based on the optical resonance principle and the tight-binding theory, a hybrid mirror chirped porous silicon photonic crystal is proposed. The control of the defect mode in hybrid mirror chirped porous silicon photonic crystal is studied. Through the numerical simulation, the control regulations of the defect modes resulted by the number of the periodical layers for the fundamental unit and the cascading number of the chirped structures are analyzed, and the split and the degeneration of the defect modes resulted by the change of the relative location between the mirror structures and the quasi-mirror structures are discussed. The simulation results show that the band gap would be broadened with the increase of the chirp quantity and the layer number of unilateral chirp. Adjusting the structural parameters of the hybrid mirror structure, the multimode characteristics will occur in the band gap. The more the cascading number of the chirped units, the more the number of the filtering channels will be. In addition, with the increase of the relative location between the mirror structures and the quasi-mirror structures, the degeneration of the defect modes will occur and can obtain high Q value. The structure can provide effective theoretical references for the design the multi-channel filters and high Q value sensors.

Quantitative Analysis of Defects in Silicon. [to predict energy conversion efficiency of silicon samples for solar cells

NASA Technical Reports Server (NTRS)

Natesh, R.; Smith, J. M.; Qidwai, H. A.; Bruce, T.

1979-01-01

The evaluation and prediction of the conversion efficiency for a variety of silicon samples with differences in structural defects, such as grain boundaries, twin boundaries, precipitate particles, dislocations, etc. are discussed. Quantitative characterization of these structural defects, which were revealed by etching the surface of silicon samples, is performed by using an image analyzer. Due to different crystal growth and fabrication techniques the various types of silicon contain a variety of trace impurity elements and structural defects. The two most important criteria in evaluating the various silicon types for solar cell applications are cost and conversion efficiency.

Prospective study on cranioplasty with individual carbon fiber reinforced polymer (CFRP) implants produced by means of stereolithography.

PubMed

Wurm, Gabriele; Tomancok, Berndt; Holl, Kurt; Trenkler, Johannes

2004-12-01

The aim of this study was to evaluate the value of carbon fiber reinforced polymer (CFRP) cranial implants produced by means of 3-dimensional (3D) stereolithography (SL) and template modeling for reconstructions of complex or extensive cranial defects. A series of 41 cranioplasties with individual CFRP implants was performed in 37 patients between April 1996 and November 2002. Only patients with complex and/or large cranial defects were included, most of them having extended scarring or dural calcification and poor quality of the overlying soft-tissue cover after infection or multiple preceding operations. Involvement of frontal sinus, a known risk factor for complications after cranioplasty, was the case in 21 patients (51.2%). A computer-based 3D model of the skull with the bony defect was generated by means of stereolithography after acquisition, evaluation and transfer of the patient's helical computed tomography (CT) data. A wax template of the defect that was used to design the individual prosthesis-shape was invested in dental stone. Then, the cranial implant was fabricated out of CFRP by loosen mold. Reconstruction of defects measuring up to 17 x 9 cm was performed. The intra-operative fit of the implants was excellent in 36 (87.8%), good in 1 (2.4%), and fair in 4 (9.8%) of the cases. Problems of implant fit occurred because of extended scarring and poor quality of soft-tissue cover. Adverse reactions were observed in 5 patients (1 subdural, 1 subcutaneous hematoma, 2 infections, 1 allergic reaction). Excellent contours and a solid stable reconstruction have been maintained in 30 out of 35 remaining plates (mean follow-up 3.6 years). No adverse effects concerning postoperative imaging, the accuracy of electroencephalograms and radiation therapy have been observed. The authors believe that this relatively new technique represents an advance in the management of complex and large cranial defects, but seems less suitable for simple defects because of cost-intensive techniques. Because of the high mechanical strength, biocompatibility, innovative design, and especially radiolucency, CFRP implants should, however, be considered in smaller defects if further imaging investigations or irradiation therapies are necessary.

Introduction and Terminology 2-Extendability in 3-Polytopes.

DTIC Science & Technology

1985-01-01

and D.A. Holton, On defect-d matchings in graphs, Discrete Math ., 13, 1975, 41-54. [LGH2] (-), Erratum: "On defect-d matchings, Discrete Mlath., 14...Matching Theory, Vol. 29, knn. Discrete Math ., North- Holland, Amsterdam, 1986. [Plell J. Plesnik, Connectivity of regular graphs and the existence of 1...Plu2] -- ), A theorem on mnatchings in the plane, Graph Theo~ry in Memory of G..4. Dirac, Ann. Discrete Math ., North-Holland. Amisterdarni. to appear

A Method of Strengthening Composite/Metal Joints

NASA Technical Reports Server (NTRS)

Polis, Daniel L.

2011-01-01

The term tape setback method denotes a method of designing and fabricating bonded joints between (1) box beams or other structural members made of laminated composite (matrix/ fiber) materials and (2) metal end fittings used to fasten these structural members to other structural members. The basic idea of the tape setback method is to mask the bonded interface between the metallic end fitting and composite member such that the bond does not extend out to the free edges of the composite member. The purpose served by the tape setback method is to strengthen the joints by decoupling stress concentrations from edge defects, which can cause premature failures. A related prior method that serves a similar purpose, involving the use of tapered adherends at the joints, can be too difficult and costly to be acceptable in some applications. The tape setback method offers an easier, less costly alternative. The structural members to which the method was originally applied were box beams in the form of composite tubes having flat faces with rounded corners. The end fittings were plugs made of a low-thermal- expansion nickel/iron alloy (see figure). In computational-simulation studies of tensile and compressive loading of members without tape setback, stresses were found to be concentrated at the free end edges of the composite tubes, and inspection of members that had been subjected to real tension and compression tests showed that cracks started at the free end edges. As applied to these members, the tape setback method makes them less vulnerable to initiation of failure at edge defects produced during fabrication. In real tension tests of comparable members without and with tape setback, the average mean tensile strength of the members with tape setback was found to be 1.9 times that of the members without tape setback.

Quantitative determination of anti-structured defects applied to alloys of a wide chemical range

NASA Astrophysics Data System (ADS)

Zhang, Jing; Chen, Zheng; Wang, Yongxin; Lu, Yanli

2016-11-01

Anti-structured defects bridge atom migration among heterogeneous sublattices facilitating diffusion but could also result in the collapse of ordered structure. Component distribution Ni75Al x V25-x alloys are investigated using a microscopic phase field model to illuminate relations between anti-structured defects and composition, precipitate order, precipitate type, and phase stability. The Ni75Al x V25-x alloys undergo single Ni3V (stage I), dual Ni3Al and Ni3V (stage II with Ni3V prior; and stage III with Ni3Al prior), and single Ni3Al (stage IV) with enhanced aluminum level. For Ni3V phase, anti-structured defects (VNi1, NiV, except VNi2) and substitution defects (AlNi1, AlNi2, AlV) exhibit a positive correlation to aluminum in stage I, the positive trend becomes to negative correlation or smooth during stage II. For Ni3Al phase, anti-structured defects (AlNi, NiAl) and substitution defects (VNi, VAl) have a positive correlation to aluminum in stage II, but NiAl goes down since stage III and lasts to stage IV. VNi and VAl fluctuate when Ni3Al precipitates prior, but go down drastically in stage IV. Precipitate type conversion of single Ni3V/dual (Ni3V+Ni3Al) affects Ni3V defects, while dual (Ni3V+Ni3Al)/single Ni3Al has little effect on Ni3Al defects. Precipitate order swap occurred in the dual phase region affects on Ni3Al defects but not on Ni3V. Project supported by the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2016JQ5014), the Fundamental Research Funds for the Central Universities, China (Grant No. 3102014JCQ01024), the Research Fund of the State Key Laboratory of Solidification Processing (NWPU), China (Grant No. 114-QP-2014), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20136102120021), and the National Natural Science Foundation of China (Grant Nos. 51474716 and 51475378).

Subminiature eddy current transducers for studying metal- dielectric junctions

NASA Astrophysics Data System (ADS)

Dmitriev, S.; Katasonov, A.; Malikov, V.; Sagalakov, A.; Davydchenko, M.; Shevtsova, L.; Ishkov, A.

2016-11-01

Based on an eddy current transducer (ECT), a probe has been designed to research metal-dielectric structures. The measurement procedure allowing one to detect defects in laminate composites with a high accuracy is described. The transducer was tested on the layered structure consisting of paper and aluminum layers with a thickness of 100 μm each in which the model defect was placed. The dependences of the ECT signal on the defect in this structure are given.

Characterization of Local Carrier Dynamics in AlN and AlGaN Films using High Spatial- and Time-resolution Cathodoluminescence Spectroscopy

DTIC Science & Technology

2012-10-12

21/2012 Abstract: In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in...quantitatively understood as functions of structural / point defect and impurity concentrations (crystal imperfections). However, only few papers [5...NOTES 14. ABSTRACT In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in wide bandgap

Electronic structure properties of deep defects in hBN

NASA Astrophysics Data System (ADS)

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).

Photoluminescence of Molecular Beam Epitaxy-Grown Mercury Cadmium Telluride: Comparison of HgCdTe/GaAs and HgCdTe/Si Technologies

NASA Astrophysics Data System (ADS)

Mynbaev, K. D.; Bazhenov, N. L.; Dvoretsky, S. A.; Mikhailov, N. N.; Varavin, V. S.; Marin, D. V.; Yakushev, M. V.

2018-05-01

Properties of HgCdTe films grown by molecular beam epitaxy on GaAs and Si substrates have been studied by performing variable-temperature photoluminescence (PL) measurements. A substantial difference in defect structure between films grown on GaAs (013) and Si (013) substrates was revealed. HgCdTe/GaAs films were mostly free of defect-related energy levels within the bandgap, which was confirmed by PL and carrier lifetime measurements. By contrast, the properties of HgCdTe/Si films are affected by uncontrolled point defects. These could not be always associated with typical "intrinsic" HgCdTe defects, such as mercury vacancies, so consideration of other defects, possibly inherent in HgCdTe/Si structures, was required. The post-growth annealing was found to have a positive effect on the defect structure by reducing the full-widths at half-maximum of excitonic PL lines for both types of films and lowering the concentration of defects specific to HgCdTe/Si.

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

NASA Astrophysics Data System (ADS)

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 Radiation Effects in Silicon using Kinetic Monte Carlo Methods

DOE PAGES

Hehr, Brian Douglas

2014-11-25

The transient degradation of semiconductor device performance under irradiation has long been an issue of concern. Neutron irradiation can instigate the formation of quasi-stable defect structures, thereby introducing new energy levels into the bandgap that alter carrier lifetimes and give rise to such phenomena as gain degradation in bipolar junction transistors. Normally, the initial defect formation phase is followed by a recovery phase in which defect-defect or defect-dopant interactions modify the characteristics of the damaged structure. A kinetic Monte Carlo (KMC) code has been developed to model both thermal and carrier injection annealing of initial defect structures in semiconductor materials.more » The code is employed to investigate annealing in electron-irradiated, p-type silicon as well as the recovery of base current in silicon transistors bombarded with neutrons at the Los Alamos Neutron Science Center (LANSCE) “Blue Room” facility. Our results reveal that KMC calculations agree well with these experiments once adjustments are made, within the appropriate uncertainty bounds, to some of the sensitive defect parameters.« less

Extracting and identifying concrete structural defects in GPR images

NASA Astrophysics Data System (ADS)

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.

Observation of 'hidden' planar defects in boron carbide nanowires and identification of their orientations.

PubMed

Guan, Zhe; Cao, Baobao; Yang, Yang; Jiang, Youfei; Li, Deyu; Xu, Terry T

2014-01-15

The physical properties of nanostructures strongly depend on their structures, and planar defects in particular could significantly affect the behavior of the nanowires. In this work, planar defects (twins or stacking faults) in boron carbide nanowires are extensively studied by transmission electron microscopy (TEM). Results show that these defects can easily be invisible, i.e., no presence of characteristic defect features like modulated contrast in high-resolution TEM images and streaks in diffraction patterns. The simplified reason of this invisibility is that the viewing direction during TEM examination is not parallel to the (001)-type planar defects. Due to the unique rhombohedral structure of boron carbide, planar defects are only distinctive when the viewing direction is along the axial or short diagonal directions ([100], [010], or 1¯10) within the (001) plane (in-zone condition). However, in most cases, these three characteristic directions are not parallel to the viewing direction when boron carbide nanowires are randomly dispersed on TEM grids. To identify fault orientations (transverse faults or axial faults) of those nanowires whose planar defects are not revealed by TEM, a new approach is developed based on the geometrical analysis between the projected preferred growth direction of a nanowire and specific diffraction spots from diffraction patterns recorded along the axial or short diagonal directions out of the (001) plane (off-zone condition). The approach greatly alleviates tedious TEM examination of the nanowire and helps to establish the reliable structure-property relations. Our study calls attention to researchers to be extremely careful when studying nanowires with potential planar defects by TEM. Understanding the true nature of planar defects is essential in tuning the properties of these nanostructures through manipulating their structures.

Pressure-induced structural modifications of rare-earth hafnate pyrochlore

NASA Astrophysics Data System (ADS)

Turner, Katlyn M.; Rittman, Dylan R.; Heymach, Rachel A.; Tracy, Cameron L.; Turner, Madison L.; Fuentes, Antonio F.; Mao, Wendy L.; Ewing, Rodney C.

2017-06-01

Complex oxides with the pyrochlore (A2B2O7) and defect-fluorite ((A,B)4O7) structure-types undergo structural transformations under high-pressure. Rare-earth hafnates (A2Hf2O7) form the pyrochlore structure for A  =  La-Tb and the defect-fluorite structure for A  =  Dy-Lu. High-pressure transformations in A2Hf2O7 pyrochlore (A  =  Sm, Eu, Gd) and defect-fluorite (A  =  Dy, Y, Yb) were investigated up to ~50 GPa and characterized by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Raman spectra at ambient pressure revealed that all compositions, including the defect-fluorites, have some pyrochlore-type short-range order. In situ high-pressure synchrotron XRD showed that all of the rare earth hafnates investigated undergo a pressure-induced phase transition to a cotunnite-like (orthorhombic) structure that begins between 18 and 25 GPa. The phase transition to the cotunnite-like structure is not complete at 50 GPa, and upon release of pressure, the hafnates transform to defect-fluorite with an amorphous component. For all compositions, in situ Raman spectroscopy showed that disordering occurs gradually with increasing pressure. Pyrochlore-structured hafnates retain their short-range order to a higher pressure (30 GPa vs.  <10 GPa) than defect-fluorite-structured hafnates. Rare earth hafnates quenched from 50 GPa show Raman spectra consistent with weberite-type structures, as also reported for irradiated rare-earth stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of ~250 GPa for hafnates with the pyrochlore structure, and ~400 GPa for hafnates with the defect-fluorite structure. Dy2Hf2O7 is intermediate in its response, with some pyrochlore-type ordering, based on Raman spectroscopy and the equation of state, with a bulk modulus of ~300 GPa. As predicted based on the similar ionic radius of Zr4+ and Hf4+, rare-earth hafnates show similar behavior to that reported for rare earth zirconates at high pressure.

Pressure-induced structural modifications of rare-earth hafnate pyrochlore.

PubMed

Turner, Katlyn M; Rittman, Dylan R; Heymach, Rachel A; Tracy, Cameron L; Turner, Madison L; Fuentes, Antonio F; Mao, Wendy L; Ewing, Rodney C

2017-06-28

Complex oxides with the pyrochlore (A 2 B 2 O 7 ) and defect-fluorite ((A,B) 4 O 7 ) structure-types undergo structural transformations under high-pressure. Rare-earth hafnates (A 2 Hf 2 O 7 ) form the pyrochlore structure for A  =  La-Tb and the defect-fluorite structure for A  =  Dy-Lu. High-pressure transformations in A 2 Hf 2 O 7 pyrochlore (A  =  Sm, Eu, Gd) and defect-fluorite (A  =  Dy, Y, Yb) were investigated up to ~50 GPa and characterized by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Raman spectra at ambient pressure revealed that all compositions, including the defect-fluorites, have some pyrochlore-type short-range order. In situ high-pressure synchrotron XRD showed that all of the rare earth hafnates investigated undergo a pressure-induced phase transition to a cotunnite-like (orthorhombic) structure that begins between 18 and 25 GPa. The phase transition to the cotunnite-like structure is not complete at 50 GPa, and upon release of pressure, the hafnates transform to defect-fluorite with an amorphous component. For all compositions, in situ Raman spectroscopy showed that disordering occurs gradually with increasing pressure. Pyrochlore-structured hafnates retain their short-range order to a higher pressure (30 GPa vs.  <10 GPa) than defect-fluorite-structured hafnates. Rare earth hafnates quenched from 50 GPa show Raman spectra consistent with weberite-type structures, as also reported for irradiated rare-earth stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of ~250 GPa for hafnates with the pyrochlore structure, and ~400 GPa for hafnates with the defect-fluorite structure. Dy 2 Hf 2 O 7 is intermediate in its response, with some pyrochlore-type ordering, based on Raman spectroscopy and the equation of state, with a bulk modulus of ~300 GPa. As predicted based on the similar ionic radius of Zr 4+ and Hf 4+ , rare-earth hafnates show similar behavior to that reported for rare earth zirconates at high pressure.

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

NASA Astrophysics Data System (ADS)

Pacchioni, Gianfranco

2000-05-01

Point defects play a fundamental role in determining the physical and chemical properties of inorganic materials. This holds not only for the bulk properties but also for the surface of oxides where several kinds of point defects exist and exhibit a rich and complex chemistry. A particularly important defect in oxides is the oxygen vacancy. Depending on the electronic structure of the material the nature of oxygen vacancies changes dramatically. In this article we provide a rationalization of the very different electronic structure of neutral and charged oxygen vacancies in SiO 2 and MgO, two oxide materials with completely different electronic structure (from very ionic, MgO, to largely covalent, SiO 2). We used methods of ab initio quantum chemistry, from density functional theory (DFT) to configuration interaction (CI), to determine the ground and excited state properties of these defects. The theoretical results are combined with recent spectroscopic measurements. A series of observable properties has been determined in this way: defect formation energies, hyperfine interactions in electron paramagnetic resonance (EPR) spectra of paramagnetic centers, optical spectra, surface chemical reactivity. The interplay between experimental and theoretical information allows one to unambiguously identify the structure of oxygen vacancies in these binary oxides and on their surfaces.

Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Haixia; Institute of Solid State Physics, Shanxi Datong University, Datong 037009; Fang, Dangqi

2015-02-14

The structural, electronic, and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) with Stone–Wales (SW) defects were investigated using first-principles calculations. We found that two types of SW defects (named SW-Ι and SW-ΙΙ) exist in ZSiNRs. The SW defect was found to be the most stable at the edge of the ZSiNR, independently of the defect orientation, even more stable than it is in an infinite silicene sheet. In addition, the ZSiNRs can transition from semiconductor to metal or half-metal by modifying the SW defect location and concentration. For the same defect concentration, the band structures influenced by the SW-Ι defectmore » are more distinct than those influenced by the SW-ΙΙ when the SW defect is at the edge. The present study suggests the possibility of tuning the electronic properties of ZSiNRs using the SW defects and might motivate their potential application in nanoelectronics and spintronics.« less

First principles study of the effect of hydrogen annealing on SiC MOSFETs

NASA Astrophysics Data System (ADS)

Chokawa, Kenta; Shiraishi, Kenji

2018-04-01

The high interfacial defect density at SiC/SiO2 interfaces formed by thermal oxidation is a crucial problem. Although post-oxidation annealing with H2 can reduce the defect density, some defects still remain at the interface. We investigate the termination of vacancy defects by H atoms at the 4H-SiC(0001)/SiO2 interface and discuss the stability of these H termination structures. Si vacancy defects can be terminated with H atoms to reduce the defect density, and the termination structure is stable even at high temperatures. On the other hand, it is difficult to terminate C vacancy defects with H atoms because the H atoms desorb from the dangling bonds and form H2 molecules below room temperature. However, we confirm that N atoms are effective for reducing the C vacancy defect states. Therefore, a defect-less interface can be achieved by post-oxidation annealing with H2 and N2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Sangbae; Yoon, Daseob; Son, Junwoo, E-mail: jwson@postech.ac.kr

We report the enhancement of room-temperature electron mobility in La-doped BaSnO{sub 3} (LBSO) thin films with thermal strain induced by high temperature nitrogen (N{sub 2}) annealing. Simple annealing under an N{sub 2} environment consistently doubled the electron mobility of the LBSO films on the SrTiO{sub 3} (STO) substrates to as high as 78 cm{sup 2} V{sup −1} s{sup −1} at a carrier concentration of 4.0 × 10{sup 20 }cm{sup −3}. This enhancement is mainly attributed to annihilation of extended defects as a consequence of compressive strain induced by the difference in the thermal expansion coefficients of LBSO and STO. Our study suggests that thermalmore » strain can be exploited to reduce extended defects and to facilitate electron transport in transparent oxide semiconductors.« less

Effect of Surface and Defect Chemistry on the Photocatalytic Properties of Intentionally Defect-Rich ZnO Nanorod Arrays.

PubMed

Kegel, Jan; Zubialevich, Vitaly Z; Schmidt, Michael; Povey, Ian M; Pemble, Martyn E

2018-05-30

Due to the abundance of intrinsic defects in zinc oxide (ZnO), the material properties are often governed by same. Knowledge of the defect chemistry has proven to be highly important, especially in terms of the photocatalytic degradation of pollutants. Given the fact that defect-free materials or structures exhibiting only one type of defect are extremely difficult to produce, it is necessary to evaluate what influence various defects may have when present together in the material. In this study, intentionally defect-rich ZnO nanorod (NR) arrays are grown using a simple low-temperature solution-based growth technique. Upon changing the defect chemistry using rapid thermal annealing (RTA) the material properties are carefully assessed and correlated to the resulting photocatalytic properties. Special focus is put on the investigation of these properties for samples showing strong orange photoluminescence (PL). It is shown that intense orange emitting NR arrays exhibit improved dye-degradation rates under UV-light irradiation. Furthermore, strong dye-adsorption has been observed for some samples. This behavior is found to stem from a graphitic surface structure (e.g., shell) formed during RTA in vacuum. Since orange-luminescent samples also exhibit an enhancement of the dye adsorption a possible interplay and synergy of these two defects is elucidated. Additionally, evidence is presented suggesting that in annealed ZnO NRs structural defects may be responsible for the often observed PL emission at 3.31 eV. However, a clear correlation with the photocatalytic properties could not be established for these defects. Building on the specific findings presented here, this study also presents some more general guidelines which, it is suggested, should be employed when assessing the photocatalytic properties of defect-rich ZnO.

Discrete-time Markovian stochastic Petri nets

NASA Technical Reports Server (NTRS)

Ciardo, Gianfranco

1995-01-01

We revisit and extend the original definition of discrete-time stochastic Petri nets, by allowing the firing times to have a 'defective discrete phase distribution'. We show that this formalism still corresponds to an underlying discrete-time Markov chain. The structure of the state for this process describes both the marking of the Petri net and the phase of the firing time for each transition, resulting in a large state space. We then modify the well-known power method to perform a transient analysis even when the state space is infinite, subject to the condition that only a finite number of states can be reached in a finite amount of time. Since the memory requirements might still be excessive, we suggest a bounding technique based on truncation.

Effect of Ga incorporation on morphology and defect structures evolution in VLS grown 1D In2O3 nanostructures

NASA Astrophysics Data System (ADS)

Ramos-Ramón, Jesús Alberto; Pal, Umapada; Cremades, Ana; Maestre, David

2018-05-01

Fabrication of 1D metal oxide nanostructures of controlled morphology and defect structure is of immense importance for their application in optoelectronics. While the morphology of these nanostructures depends primarily on growth parameters utilized in physical deposition processes, incorporation of foreign elements or dopants not only affects their morphology, but also affects their crystallinity and defect structure, which are the most important parameters for their device applications. Herein we report on the growth of highly crystalline 1D In2O3 nanostructures through vapor-liquid-solid process at relatively low temperature, and the effect of Ga incorporation on their morphology and defect structures. Through electron microscopy, Raman spectroscopy and cathodoluminescence spectroscopy techniques, we demonstrate that incorporation of Ga in In2O3 nanostructures not only strongly affects their morphology, but also generates new defect levels in the band gap of In2O3, shifting the overall emission of the nanostructures towards visible spectral range.

Localization of multiple defects using the compact phased array (CPA) method

NASA Astrophysics Data System (ADS)

Senyurek, Volkan Y.; Baghalian, Amin; Tashakori, Shervin; McDaniel, Dwayne; Tansel, Ibrahim N.

2018-01-01

Array systems of transducers have found numerous applications in detection and localization of defects in structural health monitoring (SHM) of plate-like structures. Different types of array configurations and analysis algorithms have been used to improve the process of localization of defects. For accurate and reliable monitoring of large structures by array systems, a high number of actuator and sensor elements are often required. In this study, a compact phased array system consisting of only three piezoelectric elements is used in conjunction with an updated total focusing method (TFM) for localization of single and multiple defects in an aluminum plate. The accuracy of the localization process was greatly improved by including wave propagation information in TFM. Results indicated that the proposed CPA approach can locate single and multiple defects with high accuracy while decreasing the processing costs and the number of required transducers. This method can be utilized in critical applications such as aerospace structures where the use of a large number of transducers is not desirable.

Computational medical imaging and hemodynamics framework for functional analysis and assessment of cardiovascular structures.

PubMed

Wong, Kelvin K L; Wang, Defeng; Ko, Jacky K L; Mazumdar, Jagannath; Le, Thu-Thao; Ghista, Dhanjoo

2017-03-21

Cardiac dysfunction constitutes common cardiovascular health issues in the society, and has been an investigation topic of strong focus by researchers in the medical imaging community. Diagnostic modalities based on echocardiography, magnetic resonance imaging, chest radiography and computed tomography are common techniques that provide cardiovascular structural information to diagnose heart defects. However, functional information of cardiovascular flow, which can in fact be used to support the diagnosis of many cardiovascular diseases with a myriad of hemodynamics performance indicators, remains unexplored to its full potential. Some of these indicators constitute important cardiac functional parameters affecting the cardiovascular abnormalities. With the advancement of computer technology that facilitates high speed computational fluid dynamics, the realization of a support diagnostic platform of hemodynamics quantification and analysis can be achieved. This article reviews the state-of-the-art medical imaging and high fidelity multi-physics computational analyses that together enable reconstruction of cardiovascular structures and hemodynamic flow patterns within them, such as of the left ventricle (LV) and carotid bifurcations. The combined medical imaging and hemodynamic analysis enables us to study the mechanisms of cardiovascular disease-causing dysfunctions, such as how (1) cardiomyopathy causes left ventricular remodeling and loss of contractility leading to heart failure, and (2) modeling of LV construction and simulation of intra-LV hemodynamics can enable us to determine the optimum procedure of surgical ventriculation to restore its contractility and health This combined medical imaging and hemodynamics framework can potentially extend medical knowledge of cardiovascular defects and associated hemodynamic behavior and their surgical restoration, by means of an integrated medical image diagnostics and hemodynamic performance analysis framework.

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

PubMed

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.

Actin polymerization drives septation of Listeria monocytogenes namA hydrolase mutants, demonstrating host correction of a bacterial defect.

PubMed

Alonzo, Francis; McMullen, P David; Freitag, Nancy E

2011-04-01

The Gram-positive bacterial cell wall presents a structural barrier that requires modification for protein secretion and large-molecule transport as well as for bacterial growth and cell division. The Gram-positive bacterium Listeria monocytogenes adjusts cell wall architecture to promote its survival in diverse environments that include soil and the cytosol of mammalian cells. Here we provide evidence for the enzymatic flexibility of the murein hydrolase NamA and demonstrate that bacterial septation defects associated with a loss of NamA are functionally complemented by physical forces associated with actin polymerization within the host cell cytosol. L. monocytogenes ΔnamA mutants formed long bacterial chains during exponential growth in broth culture; however, normal septation could be restored if mutant cells were cocultured with wild-type L. monocytogenes bacteria or by the addition of exogenous NamA. Surprisingly, ΔnamA mutants were not significantly attenuated for virulence in mice despite the pronounced exponential growth septation defect. The physical force of L. monocytogenes-mediated actin polymerization within the cytosol was sufficient to sever ΔnamA mutant intracellular chains and thereby enable the process of bacterial cell-to-cell spread so critical for L. monocytogenes virulence. The inhibition of actin polymerization by cytochalasin D resulted in extended intracellular bacterial chains for which septation was restored following drug removal. Thus, despite the requirement for NamA for the normal septation of exponentially growing L. monocytogenes cells, the hydrolase is essentially dispensable once L. monocytogenes gains access to the host cell cytosol. This phenomenon represents a notable example of eukaryotic host cell complementation of a bacterial defect.

Defect imaging for plate-like structures using diffuse field.

PubMed

Hayashi, Takahiro

2018-04-01

Defect imaging utilizing a scanning laser source (SLS) technique produces images of defects in a plate-like structure, as well as spurious images occurring because of resonances and reverberations within the specimen. This study developed defect imaging by the SLS using diffuse field concepts to reduce the intensity of spurious images, by which the energy of flexural waves excited by laser can be estimated. The experimental results in the different frequency bandwidths of excitation waves and in specimens with different attenuation proved that clearer images of defects are obtained in broadband excitation using a chirp wave and in specimens with low attenuation, which produce diffuse fields easily.

Spatial distribution of structural defects in Cz-seeded directionally solidified silicon ingots: An etch pit study

NASA Astrophysics Data System (ADS)

Lantreibecq, A.; Legros, M.; Plassat, N.; Monchoux, J. P.; Pihan, E.

2018-02-01

The PV properties of wafers processed from Cz-seeded directionally solidified silicon ingots suffer from variable structural defects. In this study, we draw an overview on the types of structural defects encountered in the specific case of full 〈1 0 0〉 oriented growth. We found micro twins, background dislocations, and subgrains boundaries. We discuss the possible links between thermomechanical stresses and growth processes with spatial evolution of both background dislocation densities and subgrain boundaries length.

Influence of defects on the thermal conductivity of compressed LiF

DOE PAGES

Jones, R. E.; Ward, D. K.

2018-02-08

We report defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a largemore » sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. Also, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.« less

Influence of defects on the thermal conductivity of compressed LiF

NASA Astrophysics Data System (ADS)

Jones, R. E.; Ward, D. K.

2018-02-01

Defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a large sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. In addition, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.

Electrical properties of Schottky barrier diodes fabricated on (001) β-Ga2O3 substrates with crystal defects

NASA Astrophysics Data System (ADS)

Oshima, Takayoshi; Hashiguchi, Akihiro; Moribayashi, Tomoya; Koshi, Kimiyoshi; Sasaki, Kohei; Kuramata, Akito; Ueda, Osamu; Oishi, Toshiyuki; Kasu, Makoto

2017-08-01

The electrical properties of Schottky barrier diodes (SBDs) on a (001) β-Ga2O3 substrate were characterized and correlated with wet etching-revealed crystal defects below the corresponding Schottky contacts. The etching process revealed etched grooves and etched pits, indicating the presence of line-shaped voids and small defects near the surface, respectively. The electrical properties (i.e., leakage currents, ideality factor, and barrier height) exhibited almost no correlation with the density of the line-shaped voids. This very weak correlation was reasonable considering the parallel positional relation between the line-shaped voids extending along the [010] direction and the (001) basal plane in which the voids are rarely exposed on the initial surface in contact with the Schottky metals. The distribution of small defects and SBDs with unusually large leakage currents showed similar patterns on the substrate, suggesting that these defects were responsible for the onset of fatal leak paths. These results will encourage studies on crystal defect management of (001) β-Ga2O3 substrates for the fabrication of devices with enhanced performance using these substrates.

Influence of defects on the thermal conductivity of compressed LiF

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jones, R. E.; Ward, D. K.

We report defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a largemore » sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. Also, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.« less

Defect structure of web silicon ribbon

NASA Technical Reports Server (NTRS)

Cunningham, B.; Strunk, H.; Ast, D.

1980-01-01

The results of a preliminary study of two dendritic web samples are presented. The structure and electrical activity of the defects in the silicon webs were studied. Optical microscopy of chemically etched specimens was used to determine dislocation densities. Samples were mechanically polished, then Secco etched for approximately 5 minutes. High voltage transmission electron microscopy was used to characterize the crystallographic nature of the defects.

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

PubMed

Arroyo Rojas Dasilva, Yadira; Kozak, Roksolana; Erni, Rolf; Rossell, Marta D

2017-05-01

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. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure Defect Property Relationships in Binary Intermetallics

NASA Astrophysics Data System (ADS)

Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

2015-03-01

Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

Single Molecule Investigation of Kinesin-1 Motility Using Engineered Microtubule Defects

NASA Astrophysics Data System (ADS)

Gramlich, Michael W.; Conway, Leslie; Liang, Winnie H.; Labastide, Joelle A.; King, Stephen J.; Xu, Jing; Ross, Jennifer L.

2017-03-01

The structure of the microtubule is tightly regulated in cells via a number of microtubule associated proteins and enzymes. Microtubules accumulate structural defects during polymerization, and defect size can further increase under mechanical stresses. Intriguingly, microtubule defects have been shown to be targeted for removal via severing enzymes or self-repair. The cell’s control in defect removal suggests that defects can impact microtubule-based processes, including molecular motor-based intracellular transport. We previously demonstrated that microtubule defects influence cargo transport by multiple kinesin motors. However, mechanistic investigations of the observed effects remained challenging, since defects occur randomly during polymerization and are not directly observable in current motility assays. To overcome this challenge, we used end-to-end annealing to generate defects that are directly observable using standard epi-fluorescence microscopy. We demonstrate that the annealed sites recapitulate the effects of polymerization-derived defects on multiple-motor transport, and thus represent a simple and appropriate model for naturally-occurring defects. We found that single kinesins undergo premature dissociation, but not preferential pausing, at the annealed sites. Our findings provide the first mechanistic insight to how defects impact kinesin-based transport. Preferential dissociation on the single-molecule level has the potential to impair cargo delivery at locations of microtubule defect sites in vivo.

Analysis of the Defect Structure of B2 Feal Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ferrante, John; Noebe, Ronald D.; Amador, Carlos

1995-01-01

The Bozzolo, Ferrante and Smith (BFS) method for alloys is applied to the study of the defect structure of B2 FeAI alloys. First-principles Linear Muffin Tin Orbital calculations are used to determine the input parameters to the BFS method used in this work. The calculations successfully determine the phase field of the B2 structure, as well as the dependence with composition of the lattice parameter. Finally, the method is used to perform 'static' simulations where instead of determining the ground state configuration of the alloy with a certain concentration of vacancies, a large number of candidate ordered structures are studied and compared, in order to determine not only the lowest energy configurations but other possible metastable states as well. The results provide a description of the defect structure consistent with available experimental data. The simplicity of the BFS method also allows for a simple explanation of some of the essential features found in the concentration dependence of the heat of formation, lattice parameter and the defect structure.

Method for fabricating high aspect ratio structures in perovskite material

DOEpatents

Karapetrov, Goran T.; Kwok, Wai-Kwong; Crabtree, George W.; Iavarone, Maria

2003-10-28

A method of fabricating high aspect ratio ceramic structures in which a selected portion of perovskite or perovskite-like crystalline material is exposed to a high energy ion beam for a time sufficient to cause the crystalline material contacted by the ion beam to have substantially parallel columnar defects. Then selected portions of the material having substantially parallel columnar defects are etched leaving material with and without substantially parallel columnar defects in a predetermined shape having high aspect ratios of not less than 2 to 1. Etching is accomplished by optical or PMMA lithography. There is also disclosed a structure of a ceramic which is superconducting at a temperature in the range of from about 10.degree. K. to about 90.degree. K. with substantially parallel columnar defects in which the smallest lateral dimension of the structure is less than about 5 microns, and the thickness of the structure is greater than 2 times the smallest lateral dimension of the structure.

Filtering properties of Thue-Morse nano-photonic crystals containing high-temperature superconductor

NASA Astrophysics Data System (ADS)

Talebzadeh, Robabeh; Bavaghar, Mehrdad

2018-05-01

In this paper, we introduced new design of quasi-periodic layered structures by choosing order two of ternary Thue-Morse structure. We considered Superconductor-dielectric photonic crystal with mirror symmetric as (ABSSAB)N(BASSBA)N composed of two kinds of nano-scale dielectric layers (A and B) and high-temperature superconductor layers where N is the number of period. This structure is assumed to be the free space. By using the transfer matrix method and the two fluid model, we theoretically study the transmission spectrum of ternary Thue-Morse superconducting photonic crystals with mirror symmetry and introduce this structure as a narrow optical filter. We showed that transmission peak so-called defect mode appears itself inside the transmission spectrum of suggested structure as same as defective layered structure. Also, we analyzed the influence of various related parameters such as the operating temperature of superconductor layer on position of defect mode. The redshift of defect mode with increasing the operating temperature was observed.

Extended experience and modifications in the design and concepts of the keystone design island flap.

PubMed

Moncrieff, Marc D; Thompson, John F; Stretch, Jonathan R

2010-08-01

This paper describes modifications to the design of the keystone design island flap for the reconstruction of oncological defects. In particular, the paper outlines a spectrum of modifications to the design that permit the design to be tailored to a broad range of reconstructive needs, factoring in the anatomical location of the soft tissue defect and the quality of the integument in that locality. The biomechanics of the flap are also discussed in detail. Copyright 2009. Published by Elsevier Ltd.

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

NASA Astrophysics Data System (ADS)

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.

Directionally solidified article with weld repair

NASA Technical Reports Server (NTRS)

Smashey, Russell W. (Inventor); Snyder, John H. (Inventor); Borne, Bruce L. (Inventor)

2003-01-01

A directionally solidified nickel-base superalloy article has a defect therein extending parallel to the solidification direction. The article is repaired by removing any foreign matter present in the defect, and then heating the article to a repair temperature of from about 60 to about 98 percent of the solidus temperature of the base material in a chamber containing a protective gas that inhibits oxidation of the base material. The defect is filled with a filler metal while maintaining the article at the repair temperature. The filling is accomplished by providing a source of the filler metal of substantially the same composition as the base material of the directionally solidified article, and melting the filler metal into the defect progressively while moving the source of the filler metal relative to the article in a direction parallel to the solidification direction. Optionally, additional artificial heat extraction is accomplished in a heat-flow direction that is within about 45 degrees of the solidification direction, as the filler metal solidifies within the defect. The article may thereafter be heat treated.

Weld repair of directionally solidified articles

NASA Technical Reports Server (NTRS)

Smashey, Russell W. (Inventor); Snyder, John H. (Inventor); Borne, Bruce L. (Inventor)

2002-01-01

A directionally solidified nickel-base superalloy article has a defect therein extending parallel to the solidification direction. The article is repaired by removing any foreign matter present in the defect, and then heating the article to a repair temperature of from about 60 to about 98 percent of the solidus temperature of the base material in a chamber containing a protective gas that inhibits oxidation of the base material. The defect is filled with a filler metal while maintaining the article at the repair temperature. The filling is accomplished by providing a source of the filler metal of substantially the same composition as the base material of the directionally solidified article, and melting the filler metal into the defect progressively while moving the source of the filler metal relative to the article in a direction parallel to the solidification direction. Optionally, additional artificial heat extraction is accomplished in a heat-flow direction that is within about 45 degrees of the solidification direction, as the filler metal solidifies within the defect. The article may thereafter be heat treated.

7 CFR 51.2740 - Minor defects.

Code of Federal Regulations, 2014 CFR

2014-01-01

... one or more of the following: (a) Skin discoloration which is dark brown, dark gray, dark blue or... light yellow color or consists of more than a slight yellow pitting of the flesh; (c) Sprout extending...

7 CFR 51.2740 - Minor defects.

Code of Federal Regulations, 2013 CFR

2013-01-01

... one or more of the following: (a) Skin discoloration which is dark brown, dark gray, dark blue or... light yellow color or consists of more than a slight yellow pitting of the flesh; (c) Sprout extending...

Defect interactions with stepped CeO₂/SrTiO₃ interfaces: implications for radiation damage evolution and fast ion conduction.

PubMed

Dholabhai, Pratik P; Aguiar, Jeffery A; Misra, Amit; Uberuaga, Blas P

2014-05-21

Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer improved functionalities in a wide variety of advanced technological applications, including their potential use as radiation tolerant materials. To better understand the role of interface structures in influencing the radiation damage tolerance of oxides, we have conducted atomistic calculations to elucidate the behavior of radiation-induced point defects (vacancies and interstitials) at interface steps in a model CeO2/SrTiO3 system. We find that atomic-scale steps at the interface have substantial influence on the defect behavior, which ultimately dictate the material performance in hostile irradiation environments. Distinctive steps react dissimilarly to cation and anion defects, effectively becoming biased sinks for different types of defects. Steps also attract cation interstitials, leaving behind an excess of immobile vacancies. Further, defects introduce significant structural and chemical distortions primarily at the steps. These two factors are plausible origins for the enhanced amorphization at steps seen in our recent experiments. The present work indicates that comprehensive examination of the interaction of radiation-induced point defects with the atomic-scale topology and defect structure of heterointerfaces is essential to evaluate the radiation tolerance of nanocomposites. Finally, our results have implications for other applications, such as fast ion conduction.

Mechanism of Membrane Curvature Sensing by Amphipathic Helix Containing Proteins

PubMed Central

Cui, Haosheng; Lyman, Edward; Voth, Gregory A.

2011-01-01

There are several examples of membrane-associated protein domains that target curved membranes. This behavior is believed to have functional significance in a number of essential pathways, such as clathrin-mediated endocytosis, which involve dramatic membrane remodeling and require the recruitment of various cofactors at different stages of the process. This work is motivated in part by recent experiments that demonstrated that the amphipathic N-terminal helix of endophilin (H0) targets curved membranes by binding to hydrophobic lipid bilayer packing defects which increase in number with increasing membrane curvature. Here we use state-of-the-art atomistic simulation to explore the packing defect structure of curved membranes, and the effect of this structure on the folding of H0. We find that not only are packing defects increased in number with increasing membrane curvature, but also that their size distribution depends nontrivially on the curvature, falling off exponentially with a decay constant that depends on the curvature, and crucially that even on highly curved membranes defects large enough to accommodate the hydrophobic face of H0 are never observed. We furthermore find that a percolation model for the defects explains the defect size distribution, which implies that larger defects are formed by coalescence of noninteracting smaller defects. We also use the recently developed metadynamics algorithm to study in detail the effect of such defects on H0 folding. It is found that the comparatively larger defects found on a convex membrane promote H0 folding by several kcal/mol, while the smaller defects found on flat and concave membrane surfaces inhibit folding by kinetically trapping the peptide. Together, these observations suggest H0 folding is a cooperative process in which the folding peptide changes the defect structure relative to an unperturbed membrane. PMID:21354400

Defect dynamics in active nematics

PubMed Central

Giomi, Luca; Bowick, Mark J; Mishra, Prashant; Sknepnek, Rastko; Cristina Marchetti, M

2014-01-01

Topological defects are distinctive signatures of liquid crystals. They profoundly affect the viscoelastic behaviour of the fluid by constraining the orientational structure in a way that inevitably requires global changes not achievable with any set of local deformations. In active nematic liquid crystals, topological defects not only dictate the global structure of the director, but also act as local sources of motion, behaving as self-propelled particles. In this article, we present a detailed analytical and numerical study of the mechanics of topological defects in active nematic liquid crystals. PMID:25332389

Effect of point defects and disorder on structural phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

In vivo investigation of tissue-engineered periosteum for the repair of allogeneic critical size bone defects in rabbits.

PubMed

Zhao, Lin; Zhao, Junli; Yu, Jiajia; Sun, Rui; Zhang, Xiaofeng; Hu, Shuhua

2017-04-01

The aim of the study was to evaluate the efficacy of tissue-engineered periosteum (TEP) in repairing allogenic bone defects in the long term. TEP was biofabricated with osteoinduced rabbit bone marrow mesenchymal stem cells and porcine small intestinal submucosa (SIS). A total of 24 critical sized defects were created bilaterally in radii of 12 New Zealand White rabbits. TEP/SIS was implanted into the defect site. Bone defect repair was evaluated with radiographic and histological examination at 4, 8 and 12 weeks. Bone defects were structurally reconstructed in the TEP group with mature cortical bone and medullary canals, however this was not observed in the SIS group at 12 weeks. The TEP approach can effectively restore allogenic critical sized defects, and achieve maturity of long-bone structure in 12 weeks in rabbit models.

Vision-based surface defect inspection for thick steel plates

NASA Astrophysics Data System (ADS)

Yun, Jong Pil; Kim, Dongseob; Kim, KyuHwan; Lee, Sang Jun; Park, Chang Hyun; Kim, Sang Woo

2017-05-01

There are several types of steel products, such as wire rods, cold-rolled coils, hot-rolled coils, thick plates, and electrical sheets. Surface stains on cold-rolled coils are considered defects. However, surface stains on thick plates are not considered defects. A conventional optical structure is composed of a camera and lighting module. A defect inspection system that uses a dual lighting structure to distinguish uneven defects and color changes by surface noise is proposed. In addition, an image processing algorithm that can be used to detect defects is presented in this paper. The algorithm consists of a Gabor filter that detects the switching pattern and employs the binarization method to extract the shape of the defect. The optics module and detection algorithm optimized using a simulator were installed at a real plant, and the experimental results conducted on thick steel plate images obtained from the steel production line show the effectiveness of the proposed method.

EUV multilayer defect compensation (MDC) by absorber pattern modification: from theory to wafer validation

NASA Astrophysics Data System (ADS)

Pang, Linyong; Hu, Peter; Satake, Masaki; Tolani, Vikram; Peng, Danping; Li, Ying; Chen, Dongxue

2011-11-01

According to the ITRS roadmap, mask defects are among the top technical challenges to introduce extreme ultraviolet (EUV) lithography into production. Making a multilayer defect-free extreme ultraviolet (EUV) blank is not possible today, and is unlikely to happen in the next few years. This means that EUV must work with multilayer defects present on the mask. The method proposed by Luminescent is to compensate effects of multilayer defects on images by modifying the absorber patterns. The effect of a multilayer defect is to distort the images of adjacent absorber patterns. Although the defect cannot be repaired, the images may be restored to their desired targets by changing the absorber patterns. This method was first introduced in our paper at BACUS 2010, which described a simple pixel-based compensation algorithm using a fast multilayer model. The fast model made it possible to complete the compensation calculations in seconds, instead of days or weeks required for rigorous Finite Domain Time Difference (FDTD) simulations. Our SPIE 2011 paper introduced an advanced compensation algorithm using the Level Set Method for 2D absorber patterns. In this paper the method is extended to consider process window, and allow repair tool constraints, such as permitting etching but not deposition. The multilayer defect growth model is also enhanced so that the multilayer defect can be "inverted", or recovered from the top layer profile using a calibrated model.

Capacitance-based damage detection sensing for aerospace structural composites

NASA Astrophysics Data System (ADS)

Bahrami, P.; Yamamoto, N.; Chen, Y.; Manohara, H.

2014-04-01

Damage detection technology needs improvement for aerospace engineering application because detection within complex composite structures is difficult yet critical to avoid catastrophic failure. Damage detection is challenging in aerospace structures because not all the damage detection technology can cover the various defect types (delamination, fiber fracture, matrix crack etc.), or conditions (visibility, crack length size, etc.). These defect states are expected to become even more complex with future introduction of novel composites including nano-/microparticle reinforcement. Currently, non-destructive evaluation (NDE) methods with X-ray, ultrasound, or eddy current have good resolutions (< 0.1 mm), but their detection capabilities is limited by defect locations and orientations and require massive inspection devices. System health monitoring (SHM) methods are often paired with NDE technologies to signal out sensed damage, but their data collection and analysis currently requires excessive wiring and complex signal analysis. Here, we present a capacitance sensor-based, structural defect detection technology with improved sensing capability. Thin dielectric polymer layer is integrated as part of the structure; the defect in the structure directly alters the sensing layer's capacitance, allowing full-coverage sensing capability independent of defect size, orientation or location. In this work, capacitance-based sensing capability was experimentally demonstrated with a 2D sensing layer consisting of a dielectric layer sandwiched by electrodes. These sensing layers were applied on substrate surfaces. Surface indentation damage (~1mm diameter) and its location were detected through measured capacitance changes: 1 to 250 % depending on the substrates. The damage detection sensors are light weight, and they can be conformably coated and can be part of the composite structure. Therefore it is suitable for aerospace structures such as cryogenic tanks and rocket fairings for example. The sensors can also be operating in space and harsh environment such as high temperature and vacuum.

Defect evolution in a Nisbnd Mosbnd Crsbnd Fe alloy subjected to high-dose Kr ion irradiation at elevated temperature

NASA Astrophysics Data System (ADS)

de los Reyes, Massey; Voskoboinikov, Roman; Kirk, Marquis A.; Huang, Hefei; Lumpkin, Greg; Bhattacharyya, Dhriti

2016-06-01

A candidate Nisbnd Mosbnd Crsbnd Fe alloy (GH3535) for application as a structural material in a molten salt nuclear reactor was irradiated with 1 MeV Kr2+ ions (723 K, max dose of 100 dpa) at the IVEM-Tandem facility. The evolution of defects like dislocation loops and vacancy- and self-interstitial clusters was examined in-situ. For obtaining a deeper insight into the true nature of these defects, the irradiated sample was further analysed under a TEM post-facto. The results show that there is a range of different types of defects formed under irradiation. Interaction of radiation defects with each other and with pre-existing defects, e.g., linear dislocations, leads to the formation of complex microstructures. Molecular dynamics simulations used to obtain a greater understanding of these defect transformations showed that the interaction between linear dislocations and radiation induced dislocation loops could form faulted structures that explain the fringed contrast of these defects observed in TEM.

Periodic multilayer magnetized cold plasma containing a doped semiconductor

NASA Astrophysics Data System (ADS)

Nayak, Chittaranjan; Saha, Ardhendu; Aghajamali, Alireza

2018-07-01

The present work is to numerically investigate the properties of the defect mode in a one-dimensional photonic crystal made of magnetized cold plasma, doped by semiconductor. The defect mode of such kind of multilayer structure is analyzed by applying the character matrix method to each individual layer. Numerical results illustrate that the defect mode frequency can be tuned by varying the external magnetic field, the electron density, and the thickness of the defect layer. Moreover, the behavior of the defect mode was found to be quite interesting when study the oblique incidence. It was found that for both right- and left-hand polarized transversal magnetic waves, the defect mode of the proposed defective structure disappears when the angle of incidence is larger than a particular oblique incidence. For the left-hand polarized transversal electric wave, however, an additional defect mode was noticed. The results lead to some new information concerning the designing of new types of tunable narrowband microwave filters.

Periodic multilayer magnetized cold plasma containing a doped semiconductor

NASA Astrophysics Data System (ADS)

Nayak, Chittaranjan; Saha, Ardhendu; Aghajamali, Alireza

2018-02-01

The present work is to numerically investigate the properties of the defect mode in a one-dimensional photonic crystal made of magnetized cold plasma, doped by semiconductor. The defect mode of such kind of multilayer structure is analyzed by applying the character matrix method to each individual layer. Numerical results illustrate that the defect mode frequency can be tuned by varying the external magnetic field, the electron density, and the thickness of the defect layer. Moreover, the behavior of the defect mode was found to be quite interesting when study the oblique incidence. It was found that for both right- and left-hand polarized transversal magnetic waves, the defect mode of the proposed defective structure disappears when the angle of incidence is larger than a particular oblique incidence. For the left-hand polarized transversal electric wave, however, an additional defect mode was noticed. The results lead to some new information concerning the designing of new types of tunable narrowband microwave filters.

Study of electronic characteristics of heterojunction with intrinsic thin-layer devices and defect density profile of nanocrystalline silicon germanium devices

NASA Astrophysics Data System (ADS)

Mulder, Watson

Heterojunction with Intrinsic Thin-layer (HIT) solar cells are an important photovoltaic technology, recently reaching record power conversion efficiencies. HIT cells hold advantages over the conventional crystalline Si solar cells, such as their fabrication at lower temperatures and their shorter fabrication time. It is important to understand the electronic characteristics and transport properties of HIT cells to continue to improve their efficiencies. The fundamental measurements of a HIT solar cell with an innovative n+/p/p+ structure are presented. We also report on a series of these HIT cells fabricated on wafers with different doping concentrations, observing the relationship between doping concentration and characteristics such as open-circuit voltage and diffusion length. Nanocrystalline Silicon-Germanium (nc-SiGe) is a useful material for photovoltaic devices and photodetectors. The material features good absorption extending to the infrared region even in thin layers. Its bandgap can be adjusted between that of Si (˜1.1 eV) and Ge (˜0.7 eV) by varying the alloy composition ratio during deposition. However, there has been very little previous work to measure and understand the defect density spectrum of nc-SiGe. Defects are responsible for controlling the recombination and thus the performance of solar cell devices. Capacitance-Frequency measurements at various temperatures are used in order to estimate the trap density profile within the bandgap of nc-SiGe.

Antisite defect types and temporal evolution characteristics of D022-Ni3V structure: Studied by the microscopic phase field

NASA Astrophysics Data System (ADS)

Zhang, Jing; Chen, Zheng; Zhang, Mingyi; Lai, Qingbo; Lu, Yanli; Wang, Yongxin

2009-08-01

Microscopic phase field simulation is performed to study antisite defect type and temporal evolution characteristic of D022-Ni3V structure in Ni75Al x V25- x ternary system. The result demonstrates that two types of antisite defect VNi and NiV coexist in D022 structure; however, the amount of NiV is far greater than VNi; when precipitates transform from D022 singe phase to two phases mixture of D022 and L12 with enhanced Al:V ratio, the amount of VNi has no evident response to the secondary L12 phase, while NiV exhibits a definitely contrary variation tendency: NiV rises without L12 structure precipitating from matrix but declines with it; temporal evolution characteristic and temperature dependent antisite defect VNi, NiV are also studied in this paper: The concentrations of the both defects decline from high antistructure state to equilibrium level with elapsed time but rise with elevated temperature; the ternary alloying element aluminium atom occupies both α and β sublattices of D022 structure with a strong site preference of substituting α site.

A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piluso, N., E-mail: nicolo.piluso@imm.cnr.it; Camarda, M.; La Via, F.

A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LOmore » phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.« less

Left-right correlation in coupled F-center defects.

PubMed

Janesko, Benjamin G

2016-08-07

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

Hopping transport in the space-charge region of p-n structures with InGaN/GaN QWs as a source of excess 1/f noise and efficiency droop in LEDs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bochkareva, N. I.; Ivanov, A. M.; Klochkov, A. V.

2015-06-15

It is shown that the emission efficiency and the 1/f noise level in light-emitting diodes with InGaN/GaN quantum wells correlate with how the differential resistance of a diode varies with increasing current. Analysis of the results shows that hopping transport via defect states across the n-type part of the space-charge region results in limitation of the current by the tunneling resistance at intermediate currents and shunting of the n-type barrier at high currents. The increase in the average number of tunneling electrons suppresses the 1/f current noise at intermediate currents. The strong growth in the density of current noise atmore » high currents, S{sub J} ∝ J{sup 3}, is attributed to a decrease in the average number of tunneling electrons as the n-type barrier decreases in height and width with increasing forward bias. The tunneling-recombination leakage current along extended defects grows faster than the tunneling injection current, which leads to emission efficiency droop.« less

Topological defects and shapes of triatic liquid crystal vesicles

NASA Astrophysics Data System (ADS)

Serafin, Francesco; Manyuhina, Oksana; Bowick, Mark

Is shape the manifestation of function, or does shape determine function? Since the time of Aristotle, the study of shape has proven to be a fruitful way to understand the behavior of physical systems, from atomic to biological systems scales. Two dimensional soft membranes are a perfect setting to understand the emergence of shape. An interesting possibility is to control and design new self-assemblable supramolecular shapes by coating the surface of soft closed vesicles with liquid crystals (LC) of various symmetries. The microscopic geometry of the liquid crystal molecules, in particular the structure of topological defects, when combined with the topology of the vesicle's surface, ultimately determines the vesicle's shape. Recent work has shown that the minimal energy shapes of smectic and nematic vesicles are faceted polyhedra. A very soft smectic vesicle develops sharp creases and forms a faceted tetrahedron. When the coating LC has the symmetries of the square, the vesicle forms a cube. In this work we extend these results to a 3-fold symmetric LC, proving that the vesicle's ground state is an octahedron. This gives a systematic way of predicting vesicle's shapes as we change the liquid crystal's symmetry. Soft Matter Program of Syracuse University.

The pressure-induced structural response of rare earth hafnate and stannate pyrochlore from 0.1-50 GPa

NASA Astrophysics Data System (ADS)

Turner, K. M.; Rittman, D.; Heymach, R.; Turner, M.; Tracy, C.; Mao, W. L.; Ewing, R. C.

2017-12-01

Complex oxides with the pyrochlore (A2B2O7) and defect-fluorite ((A,B)4O7) structure-types undergo structural transformations under high-pressure. These compounds are under consideration for applications including as a proposed waste-form for actinides generated in the nuclear fuel cycle. High-pressure transformations in rare earth hafnates (A2Hf2O7, A=Sm, Eu, Gd, Dy, Y, Yb) and stannates (A2Sn2O7, A=Nd, Gd, Er) were investigated to 50 GPa by in situ Raman spectroscopy and synchrotron x-ray diffraction (XRD). Rare-earth hafnates form the pyrochlore structure for A=La-Tb and the defect-fluorite structure for A=Dy-Lu. Lanthanide stannates form the pyrochlore structure. Raman spectra revealed that at ambient pressure all compositions have pyrochlore-type short-range order. Stannate compositions show a larger degree of pyrochlore-type short-range ordering relative to hafnates. In situ high-pressure synchrotron XRD showed that rare earth hafnates and stannates underwent a pressure-induced phase transition to a cotunnite-like (Pnma) structure that begins between 18-25 GPa in hafnates and between 30-33 GPa in stannates. The phase transition is not complete at 50 GPa, and upon decompression, XRD indicates that all compositions transform to defect-fluorite with an amorphous component. In situ Raman spectroscopy showed that disordering in stannates and hafnates occurs gradually upon compression. Pyrochlore-structured hafnates retain short-range order to a higher pressure (30 GPa vs. <10 GPa) than defect-fluorite-structured hafnates. Hafnates and stannates decompressed from 50 GPa show Raman spectra consistent with weberite-type structures, also reported in irradiated stannates. The second-order Birch-Murnaghan equation of state fit gives a bulk modulus of 250 GPa for hafnate compositions with the pyrochlore structure, and 400 GPa for hafnate compositions with the defect-fluorite structure. Stannates have a lower bulk modulus relative to hafnates (between 80-150 GPa). Stannate and hafnate pyrochlore compositions taken to high pressure show structural transformations consistent with irradiated pyrochlore, and compositionally disordered pyrochlore: a long-range structure best described by defect-fluorite, and a short-range structure best described by weberite.

Maximum likelihood estimation of signal detection model parameters for the assessment of two-stage diagnostic strategies.

PubMed

Lirio, R B; Dondériz, I C; Pérez Abalo, M C

1992-08-01

The methodology of Receiver Operating Characteristic curves based on the signal detection model is extended to evaluate the accuracy of two-stage diagnostic strategies. A computer program is developed for the maximum likelihood estimation of parameters that characterize the sensitivity and specificity of two-stage classifiers according to this extended methodology. Its use is briefly illustrated with data collected in a two-stage screening for auditory defects.

Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations

DOE PAGES

Sharma, Vinit K.; Herklotz, Andreas; Ward, Thomas Zac; ...

2017-09-11

Ion implantation has been widely used in the semiconductor industry for decades to selectively control electron/hole doping for device applications. Recently, experimental studies on ion implantation into more structurally and electronically complex materials have been undertaken in which defect generation has been used to control a variety of functional phenomena. Of particular interest, are recent findings demonstrating that low doses of low energy helium ions into single crystal films can be used to tailor the structural properties. These initial experimental studies have shown that crystal symmetry can be continuously controlled by applying increasingly large doses of He ions into amore » crystal. The observed changes in lattice structure were then observed to correlate with functional changes, such as metal-insulator transition temperature2 and optical bandgap3. In these preliminary experimental studies, changes to lattice expansion was proposed to be the direct result of chemical pressure originating predominantly from the implanted He applying chemical pressure at interstitial sites. However, the influence of possible secondary knock-on damage arising from the He atoms transferring energy to the lattice through nuclear-nuclear collision with the crystal lattice remains largely unaddressed. In this work, we focus on a SrRuO3 model system to provide a comprehensive examination of the impact of common defects on structural and electronic properties, obtain calculated defect formation energies, and define defect migration barriers. Our model indicates that, while interstitial He can modify the crystal properties, a dose significantly larger than those reported in experimental studies would be required. The true origin of the observed structural changes is likely the result of a combination of secondary defects created during He implantation. Of particular importance, we observe that different defect types can generate greatly varied local electronic structures and that the formation energies and migration energy barriers vary by defect type. Thus, we may have identified a new method of selectively inducing controlled defect complexes into single crystal materials. Development of this approach would have a broad impact on both our ability to probe specific defect contributions in fundamental studies and allow a new level of control over functional properties driven by specific defect complexes.« less

Micro-bridge defects: characterization and root cause analysis

NASA Astrophysics Data System (ADS)

Santoro, Gaetano; Van den Heuvel, Dieter; Braggin, Jennifer; Rosslee, Craig; Leray, Philippe J.; Cheng, Shaunee; Jehoul, Christiane; Schreutelkamp, Robert; Hillel, Noam

2010-03-01

Defect review of advanced lithography processes is becoming more and more challenging as feature sizes decrease. Previous studies using a defect review SEM on immersion lithography generated wafers have resulted in a defect classification scheme which, among others, includes a category for micro-bridges. Micro-bridges are small connections between two adjacent lines in photo-resist and are considered device killing defects. Micro-bridge rates also tend to increase as feature sizes decrease, making them even more important for the next technology nodes. Especially because micro-bridge defects can originate from different root causes, the need to further refine and split up the classification of this type of defect into sub groups may become a necessity. This paper focuses on finding the correlation of the different types of micro-bridge defects to a particular root cause based on a full characterization and root cause analysis of this class of defects, by using advanced SEM review capabilities like high quality imaging in very low FOV, Multi Perspective SEM Imaging (MPSI), tilted column and rotated stage (Tilt&Rotation) imaging and Focused Ion Beam (FIB) cross sectioning. Immersion lithography material has been mainly used to generate the set of data presented in this work even though, in the last part of the results, some EUV lithography data will be presented as part of the continuing effort to extend the micro-bridge defect characterization to the EUV technology on 40 nm technology node and beyond.

Diffusion barriers

NASA Technical Reports Server (NTRS)

Nicolet, M. A.

1983-01-01

The choice of the metallic film for the contact to a semiconductor device is discussed. One way to try to stabilize a contact is by interposing a thin film of a material that has low diffusivity for the atoms in question. This thin film application is known as a diffusion barrier. Three types of barriers can be distinguished. The stuffed barrier derives its low atomic diffusivity to impurities that concentrate along the extended defects of a polycrystalline layer. Sacrificial barriers exploit the fact that some (elemental) thin films react in a laterally uniform and reproducible fashion. Sacrificial barriers have the advantage that the point of their failure is predictable. Passive barriers are those most closely approximating an ideal barrier. The most-studied case is that of sputtered TiN films. Stuffed barriers may be viewed as passive barriers whose low diffusivity material extends along the defects of the polycrystalline host.

Single-Stage Reconstruction of Achilles Tendon and Overlying Tissue With the Extended Temporoparietal Fasciagaleal Flap--23-Year Follow-Up and the Review of the Literature.

PubMed

Dobke, Marek; Suliman, Ahmed; Mackert, Gina A; Herrera, Fernando A; Singer, Robert; Nelson, Jeffrey

2016-05-01

In the absence of an established "gold standard" for complex Achilles tendon and regional soft tissue defect reconstruction, many techniques have been advocated. Two cases describing a novel technique of successful repair with the review of literature are presented. The underlying problem consisted of Achilles tendon necrosis with local inflammation in the first case and tendon contracture with foot malposition due to a burn injury in the other. Each patient, upon debridement, had a 6-cm Achilles tendon defect with associated overlying soft tissue deficits reconstructed with an extended temporoparietal fasciagaleal flap and a split thickness skin graft. Both cases highlight the successful functional and aesthetic quality as well as the durability of concurrent vascularized tendon and soft tissue replacement and coverage in 2 distinct clinical scenarios.

Characterization of point defects in monolayer arsenene

NASA Astrophysics Data System (ADS)

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.

Laser writing of coherent colour centres in diamond

NASA Astrophysics Data System (ADS)

Chen, Yu-Chen; Salter, Patrick S.; Knauer, Sebastian; Weng, Laiyi; Frangeskou, Angelo C.; Stephen, Colin J.; Ishmael, Shazeaa N.; Dolan, Philip R.; Johnson, Sam; Green, Ben L.; Morley, Gavin W.; Newton, Mark E.; Rarity, John G.; Booth, Martin J.; Smith, Jason M.

2017-02-01

Optically active point defects in crystals have gained widespread attention as photonic systems that could be applied in quantum information technologies. However, challenges remain in the placing of individual defects at desired locations, an essential element of device fabrication. Here we report the controlled generation of single negatively charged nitrogen-vacancy (NV-) centres in diamond using laser writing. Aberration correction in the writing optics allows precise positioning of the vacancies within the diamond crystal, and subsequent annealing produces single NV- centres with a probability of success of up to 45 ± 15%, located within about 200 nm of the desired position in the transverse plane. Selected NV- centres display stable, coherent optical transitions at cryogenic temperatures, a prerequisite for the creation of distributed quantum networks of solid-state qubits. The results illustrate the potential of laser writing as a new tool for defect engineering in quantum technologies, and extend laser processing to the single-defect domain.

Controlled Synthesis of Ultralong Carbon Nanotubes with Perfect Structures and Extraordinary Properties.

PubMed

Zhang, Rufan; Zhang, Yingying; Wei, Fei

2017-02-21

Carbon nanotubes (CNTs) have drawn intensive research interest in the past 25 years due to their excellent properties and wide applications. Ultralong CNTs refers to the horizontally aligned CNT arrays which are usually grown on flat substrates, parallel with each other with large intertube distances. They usually have perfect structures, excellent properties, and lengths up to centimeters, even decimeters. Ultralong CNTs are promising candidates as building blocks for transparent displays, nanoelectronics, superstrong tethers, aeronautics and aerospace materials, etc. The controlled synthesis of ultralong CNTs with perfect structures is the key to fully exploit the extraordinary properties of CNTs. CNTs are typical one-dimensional single-crystal nanomaterials. It has always been a great challenge how to grow macroscale single-crystals with no defects. Thus, the synthesis of ultralong CNTs with no defect is of significant importance from both fundamental and industrial aspects. In this Account, we focus on our progress on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. A deep understanding of the CNT growth mechanism is the first step for the controlled synthesis of ultralong CNTs with high quality. We first introduce the growth mechanism for ultralong CNTs and the main factor affecting their structures. We then discuss the strategies to control the defects in the as-grown ultralong CNTs. With these approaches, ultralong high-quality CNTs with different structures can be obtained. By completely eliminating the factors which may induce defects in the CNT walls, ultralong CNTs with perfect structures can be obtained. Their chiral indices keep unchanged for several centimeters long along the axial direction of the CNTs. The defect-free structures render the ultralong CNTs with excellent electrical, mechanical and thermal properties. The as-grown ultralong CNTs exhibit superhigh mechanical strength (>100 GPa) and their breaking strain (>17.5%) reach the theoretical limits. They also show excellent electrical and thermal properties. In addition, centimeters long CNTs showed macroscale interwall superlubricious properties due to their defect-free structures. Ultralong, defect-free CNTs with controlled structures are highly desirable for many high-end applications. We hope that this Account will shed light on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. Moreover, the growth mechanism and controlled synthesis of ultralong CNTs with perfect structures also offers a good model for other one-dimensional nanomaterials.

Interplay of point defects, extended defects, and carrier localization in the efficiency droop of InGaN quantum wells light-emitting diodes investigated using spatially resolved electroluminescence and photoluminescence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Yue, E-mail: yuelin@fjirsm.ac.cn; Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002; Department of Electronic Science and Fujian Engineering Research Center for Solid-State Lighting, Xiamen University, Xiamen, Fujian 361005

2014-01-14

We perform both spatially resolved electroluminescence (SREL) as a function of injection current and spatially resolved photoluminescence (SRPL) as a function of excitation power on InGaN quantum well blue light-emitting diodes to investigate the underlying physics for the phenomenon of the external quantum efficiency (EQE) droop. SREL allows us to study two most commonly observed but distinctly different droop behaviors on a single device, minimizing the ambiguity trying to compare independently fabricated devices. Two representative devices are studied: one with macroscopic scale material non-uniformity, the other being macroscopically uniform, but both with microscopic scale fluctuations. We suggest that the EQE–currentmore » curve reflects the interplay of three effects: nonradiative recombination through point defects, carrier localization due to either In composition or well width fluctuation, and nonradiative recombination of the extended defects, which is common to various optoelectronic devices. By comparing SREL and SRPL, two very different excitation/detection modes, we show that individual singular sites exhibiting either particularly strong or weak emission in SRPL do not usually play any significant and direct role in the EQE droop. We introduce a two-level model that can capture the basic physical processes that dictate the EQE–current dependence and describe the whole operating range of the device from 0.01 to 100 A/cm{sup 2}.« less

Automated reticle inspection data analysis for wafer fabs

NASA Astrophysics Data System (ADS)

Summers, Derek; Chen, Gong; Reese, Bryan; Hutchinson, Trent; Liesching, Marcus; Ying, Hai; Dover, Russell

2009-04-01

To minimize potential wafer yield loss due to mask defects, most wafer fabs implement some form of reticle inspection system to monitor photomask quality in high-volume wafer manufacturing environments. Traditionally, experienced operators review reticle defects found by an inspection tool and then manually classify each defect as 'pass, warn, or fail' based on its size and location. However, in the event reticle defects are suspected of causing repeating wafer defects on a completed wafer, potential defects on all associated reticles must be manually searched on a layer-by-layer basis in an effort to identify the reticle responsible for the wafer yield loss. This 'problem reticle' search process is a very tedious and time-consuming task and may cause extended manufacturing line-down situations. Often times, Process Engineers and other team members need to manually investigate several reticle inspection reports to determine if yield loss can be tied to a specific layer. Because of the very nature of this detailed work, calculation errors may occur resulting in an incorrect root cause analysis effort. These delays waste valuable resources that could be spent working on other more productive activities. This paper examines an automated software solution for converting KLA-Tencor reticle inspection defect maps into a format compatible with KLA-Tencor's Klarity Defect(R) data analysis database. The objective is to use the graphical charting capabilities of Klarity Defect to reveal a clearer understanding of defect trends for individual reticle layers or entire mask sets. Automated analysis features include reticle defect count trend analysis and potentially stacking reticle defect maps for signature analysis against wafer inspection defect data. Other possible benefits include optimizing reticle inspection sample plans in an effort to support "lean manufacturing" initiatives for wafer fabs.

Automated reticle inspection data analysis for wafer fabs

NASA Astrophysics Data System (ADS)

Summers, Derek; Chen, Gong; Reese, Bryan; Hutchinson, Trent; Liesching, Marcus; Ying, Hai; Dover, Russell

2009-03-01

To minimize potential wafer yield loss due to mask defects, most wafer fabs implement some form of reticle inspection system to monitor photomask quality in high-volume wafer manufacturing environments. Traditionally, experienced operators review reticle defects found by an inspection tool and then manually classify each defect as 'pass, warn, or fail' based on its size and location. However, in the event reticle defects are suspected of causing repeating wafer defects on a completed wafer, potential defects on all associated reticles must be manually searched on a layer-by-layer basis in an effort to identify the reticle responsible for the wafer yield loss. This 'problem reticle' search process is a very tedious and time-consuming task and may cause extended manufacturing line-down situations. Often times, Process Engineers and other team members need to manually investigate several reticle inspection reports to determine if yield loss can be tied to a specific layer. Because of the very nature of this detailed work, calculation errors may occur resulting in an incorrect root cause analysis effort. These delays waste valuable resources that could be spent working on other more productive activities. This paper examines an automated software solution for converting KLA-Tencor reticle inspection defect maps into a format compatible with KLA-Tencor's Klarity DefectTM data analysis database. The objective is to use the graphical charting capabilities of Klarity Defect to reveal a clearer understanding of defect trends for individual reticle layers or entire mask sets. Automated analysis features include reticle defect count trend analysis and potentially stacking reticle defect maps for signature analysis against wafer inspection defect data. Other possible benefits include optimizing reticle inspection sample plans in an effort to support "lean manufacturing" initiatives for wafer fabs.

Prevalence of an unusual hypoplastic defect of the permanent maxillary lateral incisor in great apes.

PubMed

Hannibal, Darcy L

2017-02-01

In this article, I describe a previously unreported maxillary lateral incisor defect (MLID) of the enamel in great apes and evaluate potential general causes (genetic, systemic stress, or localized disturbance), as well as examine differences in prevalence among the represented taxa. This defect occurred only on the labial surface of the maxillary lateral incisor and extended from the cervical-mesial quarter of the crown to the mesial edge of the cementoenamel junction (CEJ). The study sample consisted of 136 great ape specimens, including 41 gorillas, 25 chimpanzees, and 70 orangutans from the Smithsonian's National Museum of Natural History great ape collection. I used logistic regression to assess the prevalence of this defect in the sample and a binomial probability test for bilaterality. This defect of the maxillary lateral incisor is the second most common defect I observed in the study sample (30.1% of individuals affected), and was more likely to occur in individuals with linear enamel hypoplasia (LEH) and pit defects than those without these defects. Among specimens with both maxillary lateral incisors present, the defect was mostly bilateral. Pan and Pongo were significantly more likely to exhibit the defect than Gorilla. Between Pongo species, Pongo pygmaeus was significantly more likely to exhibit the defect than Pongo abelii. Between subspecies of Gorilla, although Gorilla gorilla gorilla exhibited the defect and Gorilla gorilla beringei did not, the difference was not significant. No sex differences were evident in this sample. The prevalence of this defect indicates it is not hereditary. The bilateral trend indicates a systemic cause, although the high inter-tooth specificity suggests a local disturbance and a combination of both is possible. © 2016 Wiley Periodicals, Inc.

The growth and perfection of β-cyclotetramethylene-tetranitramine (HMX) studied by laboratory and synchrotron X-ray topography

NASA Astrophysics Data System (ADS)

Gallagher, H. G.; Sherwood, J. N.; Vrcelj, R. M.

2017-10-01

An examination has been made of the defect structure of crystals of the energetic material β-cyclotetramethylene-tetranitramine (HMX) using both Laboratory (Lang method) and Synchrotron (Bragg Reflection and Laue method) techniques. The results of the three methods are compared with particular attention to the influence of potential radiation damage caused to the samples by the latter, more energetic, technique. The comparison shows that both techniques can be confidently used to evaluate the defect structures yielding closely similar results. The results show that, even under the relatively casual preparative methods used (slow evaporation of unstirred solutions at constant temperature), HMX crystals of high perfection can be produced. The crystals show well defined bulk defect structures characteristic of organic materials in general: growth dislocations, twins, growth sector boundaries, growth banding and solvent inclusions. The distribution of the defects in specific samples is correlated with the morphological variation of the grown crystals. The results show promise for the further evaluation and characterisation of the structure and properties of dislocations and other defects and their involvement in mechanical and energetic processes in this material.

EUVL Mask Blank Repair

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barty, A; Mirkarimi, P; Stearns, D G

2002-05-22

EUV mask blanks are fabricated by depositing a reflective Mo/Si multilayer film onto super-polished substrates. Small defects in this thin film coating can significantly alter the reflected field and introduce defects in the printed image. Ideally one would want to produce defect-free mask blanks; however, this may be very difficult to achieve in practice. One practical way to increase the yield of mask blanks is to effectively repair multilayer defects, and to this effect they present two complementary defect repair strategies for use on multilayer-coated EUVL mask blanks. A defect is any area on the mask which causes unwanted variationsmore » in EUV dose in the aerial image obtained in a printing tool, and defect repair is correspondingly defined as any strategy that renders a defect unprintable during exposure. The term defect mitigation can be adopted to describe any strategy which renders a critical defect non-critical when printed, and in this regard a non-critical defect is one that does not adversely affect device function. Defects in the patterned absorber layer consist of regions where metal, typically chrome, is unintentionally added or removed from the pattern leading to errors in the reflected field. There currently exists a mature technology based on ion beam milling and ion beam assisted deposition for repairing defects in the absorber layer of transmission lithography masks, and it is reasonable to expect that this technology will be extended to the repair of absorber defects in EUVL masks. However, techniques designed for the repair of absorber layers can not be directly applied to the repair of defects in the mask blank, and in particular the multilayer film. In this paper they present for the first time a new technique for the repair of amplitude defects as well as recent results on the repair of phase defects.« less

Evolution of displacement cascades in Fe-Cr structures with different [001] tilt grain boundaries

NASA Astrophysics Data System (ADS)

Abu-Shams, M.; Haider, W.; Shabib, I.

2017-06-01

Reduced-activation ferritic/martensitic steels of Cr concentration between 2.25 and 12 wt% are candidate structural materials for next-generation nuclear reactors. In this study, molecular dynamics (MD) simulation is used to generate the displacement cascades in Fe-Cr structures with different Cr concentrations by using different primary knock-on atom (PKA) energies between 2 and 10 keV. A concentration-dependent model potential has been used to describe the interactions between Fe and Cr. Single crystals (SCs) of three different coordinate bases (e.g. [310], [510], and [530]) and bi-crystal (BC) structures with three different [001] tilt grain boundaries (GBs) (e.g. Σ5, Σ13, and Σ17) have been simulated. The Wigner-Seitz cell criterion has been used to identify the produced Frenkel pairs. The results show a marked difference between collisions observed in SCs and those in BC structures. The numbers of vacancies and interstitials are found to be significantly higher in BC structures than those found in SCs. The number of point defects exhibits a power relationship with the PKA energies; however, the Cr concentration does not seem to have any influence on the number of survived point defects. In BC models, a large fraction of the total survived point defects (between 59% and 93%) tends accumulate at the GBs, which seem to trap the generated point defects. The BC structure with Σ17 GB is found to trap more defects than Σ5 and Σ13 GBs. The defect trapping is found to be dictated by the crystallographic parameters of the GBs. For all studied GBs, self-interstitial atoms (SIAs) are easily trapped within the GB region than vacancies. An analysis of defect composition reveals an enrichment of Cr in SIAs, and in BC cases, more than half of the Cr-SIAs are found to be located within the GB region.

Exceptional gettering response of epitaxially grown kerfless silicon

DOE PAGES

Powell, D. M.; Markevich, V. P.; Hofstetter, J.; ...

2016-02-08

The bulk minority-carrier lifetime in p- and n-type kerfless epitaxial (epi) crystalline silicon wafers is shown to increase >500 during phosphorus gettering. We employ kinetic defect simulations and microstructural characterization techniques to elucidate the root cause of this exceptional gettering response. Simulations and deep-level transient spectroscopy (DLTS) indicate that a high concentra- tion of point defects (likely Pt) is “locked in” during fast (60 C/min) cooling during epi wafer growth. The fine dispersion of moderately fast-diffusing recombination-active point defects limits as-grown lifetime but can also be removed during gettering, confirmed by DLTS measurements. Synchrotron-based X-ray fluorescence microscopy indicates metal agglomeratesmore » at structural defects, yet the structural defect density is sufficiently low to enable high lifetimes. Consequently, after phosphorus diffusion gettering, epi silicon exhibits a higher lifetime than materials with similar bulk impurity contents but higher densities of structural defects, including multicrystalline ingot and ribbon silicon materials. As a result, device simulations suggest a solar-cell efficiency potential of this material >23%.« less

Technique for writing of fiber Bragg gratings over or near preliminary formed macro-structure defects in silica optical fibers

NASA Astrophysics Data System (ADS)

Evtushenko, Alexander S.; Faskhutdinov, Lenar M.; Kafarova, Anastasia M.; Kazakov, Vadim S.; Kuznetzov, Artem A.; Minaeva, Alina Yu.; Sevruk, Nikita L.; Nureev, Ilnur I.; Vasilets, Alexander A.; Andreev, Vladimir A.; Morozov, Oleg G.; Burdin, Vladimir A.; Bourdine, Anton V.

2017-04-01

This work presents method for performing precision macro-structure defects "tapers" and "up-tapers" written in conventional silica telecommunication multimode optical fibers by commercially available field fusion splicer with modified software settings and following writing fiber Bragg gratings over or near them. We developed technique for macrodefect geometry parameters estimation via analysis of photo-image performed after defect writing and displayed on fusion splicer screen. Some research results of defect geometry dependence on fusion current and fusion time values re-set in splicer program are represented that provided ability to choose their "the best" combination. Also experimental statistical researches concerned with "taper" and "up-taper" diameter stability as well as their insertion loss values during their writing under fixed corrected splicer program parameters were performed. We developed technique for FBG writing over or near macro-structure defect. Some results of spectral response measurements produced for short-length samples of multimode optical fiber with fiber Bragg gratings written over and near macro-defects prepared by using proposed technique are presented.

Hydrophilic Graphene Preparation from Gallic Acid Modified Graphene Oxide in Magnesium Self-Propagating High Temperature Synthesis Process

NASA Astrophysics Data System (ADS)

Cao, Lei; Li, Zhenhuan; Su, Kunmei; Cheng, Bowen

2016-10-01

Hydrophilic graphene sheets were synthesized from a mixture of magnesium and gallic acid (GA) modified graphene oxide (GO) in a self-propagating high-temperature synthesis (SHS) process, and hydrophilic graphene sheets displayed the higher C/O ratio (16.36), outstanding conductivity (~88900 S/m) and excellent water-solubility. GO sheets were connected together by GA, and GA was captured to darn GO structure defects through the formation of hydrogen bonds and ester bonds. In SHS process, the most oxygen ions of GO reacted with magnesium to prevent the escape of carbon dioxide and carbon monoxide to from the structure defects associated with vacancies, and GA could take place the high-temperature carbonization, during which a large-area graphene sheets formed with a part of the structure defects being repaired. When only GO was reduced by magnesium in SHS process, and the reduced GO (rGO) exhibited the smaller sheets, the lower C/O ratio (15.26), the weaker conductivity (4200 S/m) and the poor water-solubility because rGO inevitably left behind carbon vacancies and topological defects. Therefore, the larger sheet, less edge defects and free structure defects associated with vacancies play a key role for graphene sheets good dispersion in water.

Finite-element design and optimization of a three-dimensional tetrahedral porous titanium scaffold for the reconstruction of mandibular defects.

PubMed

Luo, Danmei; Rong, Qiguo; Chen, Quan

2017-09-01

Reconstruction of segmental defects in the mandible remains a challenge for maxillofacial surgery. The use of porous scaffolds is a potential method for repairing these defects. Now, additive manufacturing techniques provide a solution for the fabrication of porous scaffolds with specific geometrical shapes and complex structures. The goal of this study was to design and optimize a three-dimensional tetrahedral titanium scaffold for the reconstruction of mandibular defects. With a fixed strut diameter of 0.45mm and a mean cell size of 2.2mm, a tetrahedral structural porous scaffold was designed for a simulated anatomical defect derived from computed tomography (CT) data of a human mandible. An optimization method based on the concept of uniform stress was performed on the initial scaffold to realize a minimal-weight design. Geometric and mechanical comparisons between the initial and optimized scaffold show that the optimized scaffold exhibits a larger porosity, 81.90%, as well as a more homogeneous stress distribution. These results demonstrate that tetrahedral structural titanium scaffolds are feasible structures for repairing mandibular defects, and that the proposed optimization scheme has the ability to produce superior scaffolds for mandibular reconstruction with better stability, higher porosity, and less weight. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Thick Concrete Specimen Construction, Testing, and Preliminary Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clayton, Dwight A.; Hoegh, Kyle; Khazanovich, Lev

The purpose of the U.S. Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) Program is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the operating lifetimes of nuclear power plants (NPPs) beyond 60 years. Since many important safety structures in an NPP are constructed of concrete, inspection techniques must be developed and tested to evaluate the internal condition. In-service containment structures generally do not allow for the destructive measures necessary to validate the accuracy of these inspection techniques. This creates a need for comparative testing of the variousmore » nondestructive evaluation (NDE) measurement techniques on concrete specimens with known material properties, voids, internal microstructure flaws, and reinforcement locations. A preliminary report detailed some of the challenges associated with thick reinforced concrete sections and prioritized conceptual designs of specimens that could be fabricated to represent NPP concrete structures for using in NDE evaluation comparisons. This led to the construction of the concrete specimen presented in this report, which has sufficient reinforcement density and cross-sectional size to represent an NPP containment wall. Details on how a suitably thick concrete specimen was constructed are presented, including the construction materials, final nominal design schematic, as well as formwork and rigging required to safely meet the desired dimensions of the concrete structure. The report also details the type and methods of forming the concrete specimen as well as information on how the rebar and simulated defects were embedded. Details on how the resulting specimen was transported, safely anchored, and marked to allow access for systematic comparative NDE testing of defects in a representative NPP containment wall concrete specimen are also given. Data collection using the MIRA Ultrasonic NDE equipment and initial results are also presented along with a discussion of the preliminary findings. Comparative NDE of various defects in reinforced concrete specimens is a key component in identifying the most promising techniques and directing the research and development efforts needed to characterize concrete degradation in commercial NPPs. This requires access to the specimens for data collection using state-of-the-art technology. The construction of the specimen detailed in this report allows for an evaluation of how different NDE techniques may interact with the size and complexities of NPP concrete structures. These factors were taken into account when determining specimen size and features to ensure a realistic design. The lateral dimensions of the specimen were also chosen to mitigate unrealistic boundary effects that would not affect the results of field NPP concrete testing. Preliminary results show that, while the current methods are able to identify some of the deeper defects, improvements in data processing or hardware are necessary to be able to achieve the precision and reliability achieved in evaluating thinner and less heavily reinforced concrete structures.« less

Effect of temperature and radiation damage on the local atomic structure of elemental plutonium and related compounds

DOE PAGES

Booth, Corwin H.; Olive, Daniel Thomas

2016-10-26

This focused review provides an overview and a framework for understanding local structure in metallic plutonium (especially the metastable fcc δ-phase alloyed with Ga) as it relates to self-irradiation damage. Of particular concern is the challenge of understanding self-irradiation damage in plutonium-bearing materials where theoretical challenges of the unique involvement of the 5f electrons in bonding limit the efficacy of molecular dynamics simulations and experimental challenges of working with radioactive material have limited the ability to confirm the results of such simulations and to further push the field forward. The main concentration is on extended X-ray absorption fine-structure measurements ofmore » -phase Pu, but the scope is broadened to include certain studies on plutonium intermetallics and oxides insofar as they inform the physics of damage and healing processes in elemental Pu. Here, the studies reviewed here provide insight into lattice distortions and their production, damage annealing and defect migration, and the importance of understanding and controlling sample morphology when interpreting such experiments.« less

Factoring neurotrophins into a neurite-based pathophysiological model of schizophrenia.

PubMed

Bellon, Alfredo; Krebs, Marie-Odile; Jay, Thérèse M

2011-06-01

Neurotrophins are growth factors that, through variations in concentration and changes in receptor expression, regulate the formation of axons and dendrites during development and throughout adult life. Here we review these growth factors, particularly in the context of schizophrenia, a psychiatric disorder characterized by neurodevelopmental abnormalities. We first discuss emerging information derived from physiologically relevant organotypic cultures and in vivo studies regarding the effects of neurotrophins on the neuronal structure including pruning and GABAergic neurons. We then review postmortem studies of neurotrophin levels and their receptors in brains of individuals with schizophrenia, and compare them with what is known about neurotrophin effects on neuronal structure. This comparison indicates that only some neuropathological defects encountered in patients with schizophrenia can be explained by the single action of neurotrophins on dendrites and axons. However, we propose that a number of inconsistent findings and apparently unrelated results in the schizophrenia field can be reconciled if neurons are considered structurally plastic cells capable of extending and retracting dendrites and axons throughout life. Copyright © 2011 Elsevier Ltd. All rights reserved.

Capping spheres with scarry crystals: Organizing principles of multi-dislocation, ground-state patterns

NASA Astrophysics Data System (ADS)

Azadi, Amir; Grason, Gregory M.

2014-03-01

Predicting the ground state ordering of curved crystals remains an unsolved, century-old challenge, beginning with the classic Thomson problem to more recent studies of particle-coated droplets. We study the structural features and underlying principles of multi-dislocation ground states of a crystalline cap adhered to a spherical substrate. In the continuum limit, vanishing lattice spacing, a --> 0 , dislocations proliferate and we show that ground states approach a characteristic sequence of patterns of n-fold radial grain boundary ``scars,'' extending from the boundary and terminating in the bulk. A combination of numerical and asymptotic analysis reveals that energetic hierarchy gives rise to a structural hierarchy, whereby the number of dislocation and scars diverge as a --> 0 while the scar length and number of dislocations per scar become remarkably independent of lattice spacing. We show the that structural hierarchy remains intact when n-fold symmetry becomes unstable to polydispersed forked-scar morphologies. We expect this analysis to resolve previously open questions about the optimal symmetries of dislocation patterns in Thomson-like problems, both with and without excess 5-fold defects.

Hyperuniform Disordered photonic bandgap materials, from 2D to 3D, and their applications

NASA Astrophysics Data System (ADS)

Man, Weining; Florescu, Marian; Sahba, Shervin; Sellers, Steven

Recently, hyperuniform disordered systems attracted increasing attention due to their unique physical properties and the potential possibilities of self-assembling them. We had introduced a class of 2D hyperuniform disordered (HUD) photonic bandgap (PBG) materials enabled by a novel constrained optimization method for engineering the material's isotropic photonic bandgap. The intrinsic isotropy in these disordered structures is an inherent advantage associated with the lack of crystalline order, offering unprecedented freedom for functional defect design impossible to achieve in photonic crystals. Beyond our previous experimental work using macroscopic samples with microwave radiation, we demonstrated functional devices based on submicron-scale planar hyperuniform disordered PBG structures further highlight their ability to serve as highly compact, flexible and energy-efficient platforms for photonic integrated circuits. We further extended the design, fabrication, and characterization of the disordered photonic system into 3D. We also identify local self-uniformity as a novel measure of a disordered network's internal structural similarity, which we found crucial for photonic band gap formation. National Science Foundations award DMR-1308084.

Generic equilibration dynamics of planar defects in trapped atomic superfluids

DOE PAGES

Scherpelz, Peter; Padavić, Karmela; Murray, Andy; ...

2015-03-18

Here, we investigate equilibration processes shortly after sudden perturbations are applied to ultracold trapped superfluids. We show the similarity of phase imprinting and localized density depletion perturbations, both of which initially are found to produce “phase walls”. These planar defects are associated with a sharp gradient in the phase. Importantly they relax following a quite general sequence. Our studies, based on simulations of the complex time-dependent Ginzburg-Landau equation, address the challenge posed by these experiments: how a superfluid eventually eliminatesa spatially extended planar defect. The processes involved are necessarily more complex than equilibration involving simpler line vortices. An essential mechanismmore » form relaxation involves repeated formation and loss of vortex rings near the trap edge.« less

The Huntington disease locus is most likely within 325 kilobases of the chromosome 4p telomere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doggett, N.A.; Cheng, J.F.; Smith, C.L.

1989-12-01

The genetic defect responsible for Huntington disease was originally localized near the tip of the short arm of chromosome 4 by genetic linkage to the locus D4S10. Several markers closer to Huntington disease have since been isolated, but these all appear to be proximal to the defect. A physical map that extends from the most distal of these loci, D4S90, to the telomere of chromosome 4 was constructed. This map identifies at least two CpG islands as markers for Huntington disease candidate genes and places the most likely location of the Huntington disease defect remarkably close (within 325 kilobases) tomore » the telomere.« less

Gamma ray irradiated silicon nanowires: An effective model to investigate defects at the interface of Si/SiOx

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, Kui; Zhao, Yi; Liu, Liangbin

2014-01-20

The effect of gamma ray irradiation on silicon nanowires was investigated. Here, an additional defect emerged in the gamma-ray-irradiated silicon nanowires and was confirmed with electron spin resonance spectra. {sup 29}Si nuclear magnetic resonance spectroscopy showed that irradiation doses had influence on the Q{sup 4} unit structure. This phenomenon indicated that the unique core/shell structure of silicon nanowires might contribute to induce metastable defects under gamma ray irradiation, which served as a satisfactory model to investigate defects at the interface of Si/SiOx.

High internal quantum efficiency ultraviolet to green luminescence peaks from pseudomorphic m-plane Al{sub 1−x}In{sub x}N epilayers grown on a low defect density m-plane freestanding GaN substrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chichibu, S. F., E-mail: chichibulab@yahoo.co.jp; Hazu, K.; Furusawa, K.

2014-12-07

Structural and optical qualities of half-a-μm-thick m-plane Al{sub 1−x}In{sub x}N epilayers grown by metalorganic vapor phase epitaxy were remarkably improved via coherent growth on a low defect density m-plane freestanding GaN substrate prepared by hydride vapor phase epitaxy. All the epilayers unexceptionally suffer from uniaxial or biaxial anisotropic in-plane stress. However, full-width at half-maximum values of the x-ray ω-rocking curves were nearly unchanged as the underlayer values being 80 ∼ 150 arc sec for (101{sup ¯}0) and (101{sup ¯}2) diffractions with both 〈0001〉 and 〈112{sup ¯}0〉 azimuths, as long as pseudomorphic structure was maintained. Such Al{sub 1−x}In{sub x}N epilayers commonly exhibited a broadmore » but predominant luminescence peak in ultraviolet (x ≤ 0.14) to green (x = 0.30) wavelengths. Its equivalent value of the internal quantum efficiency at room temperature was as high as 67% for x = 0.14 and 44% for x = 0.30. Because its high-energy cutoff commonly converged with the bandgap energy, the emission peak is assigned to originate from the extended near-band-edge states with strong carrier localization.« less

Atomic Structure of Intrinsic and Electron-Irradiation-Induced Defects in MoTe2

PubMed Central

2018-01-01

Studying the atomic structure of intrinsic defects in two-dimensional transition-metal dichalcogenides is difficult since they damage quickly under the intense electron irradiation in transmission electron microscopy (TEM). However, this can also lead to insights into the creation of defects and their atom-scale dynamics. We first show that MoTe2 monolayers without protection indeed quickly degrade during scanning TEM (STEM) imaging, and discuss the observed atomic-level dynamics, including a transformation from the 1H phase into 1T′, 3-fold rotationally symmetric defects, and the migration of line defects between two 1H grains with a 60° misorientation. We then analyze the atomic structure of MoTe2 encapsulated between two graphene sheets to mitigate damage, finding the as-prepared material to contain an unexpectedly large concentration of defects. These include similar point defects (or quantum dots, QDs) as those created in the nonencapsulated material and two different types of line defects (or quantum wires, QWs) that can be transformed from one to the other under electron irradiation. Our density functional theory simulations indicate that the QDs and QWs embedded in MoTe2 introduce new midgap states into the semiconducting material and may thus be used to control its electronic and optical properties. Finally, the edge of the encapsulated material appears amorphous, possibly due to the pressure caused by the encapsulation. PMID:29503509

Radiation-induced disorder in compressed lanthanide zirconates.

PubMed

Park, Sulgiye; Tracy, Cameron L; Zhang, Fuxiang; Park, Changyong; Trautmann, Christina; Tkachev, Sergey N; Lang, Maik; Mao, Wendy L; Ewing, Rodney C

2018-02-28

The effects of swift heavy ion irradiation-induced disordering on the behavior of lanthanide zirconate compounds (Ln 2 Zr 2 O 7 where Ln = Sm, Er, or Nd) at high pressures are investigated. After irradiation with 2.2 GeV 197 Au ions, the initial ordered pyrochlore structure (Fd3[combining macron]m) transformed to a defect-fluorite structure (Fm3[combining macron]m) in Sm 2 Zr 2 O 7 and Nd 2 Zr 2 O 7 . For irradiated Er 2 Zr 2 O 7 , which has a defect-fluorite structure, ion irradiation induces local disordering by introducing Frenkel defects despite retention of the initial structure. When subjected to high pressures (>29 GPa) in the absence of irradiation, all of these compounds transform to a cotunnite-like (Pnma) phase, followed by sluggish amorphization with further compression. However, if these compounds are irradiated prior to compression, the high pressure cotunnite-like phase is not formed. Rather, they transform directly from their post-irradiation defect-fluorite structure to an amorphous structure upon compression (>25 GPa). Defects and disordering induced by swift heavy ion irradiation alter the transformation pathways by raising the energetic barriers for the transformation to the high pressure cotunnite-like phase, rendering it inaccessible. As a result, the high pressure stability field of the amorphous phase is expanded to lower pressures when irradiation is coupled with compression. The responses of materials in the lanthanide zirconate system to irradiation and compression, both individually and in tandem, are strongly influenced by the specific lanthanide composition, which governs the defect energetics at extreme conditions.

Noncontact measurement of guided ultrasonic wave scattering for fatigue crack characterization

NASA Astrophysics Data System (ADS)

Fromme, P.

2013-04-01

Fatigue cracks can develop in aerospace structures at locations of stress concentration such as fasteners. For the safe operation of the aircraft fatigue cracks need to be detected before reaching a critical length. Guided ultrasonic waves offer an efficient method for the detection and characterization of fatigue cracks in large aerospace structures. Noncontact excitation of guided waves was achieved using electromagnetic acoustic transducers (EMAT). The transducers were developed for the specific excitation of the A0 Lamb mode. Based on the induced eddy currents in the plate a simple theoretical model was developed and reasonably good agreement with the measurements was achieved. However, the detection sensitivity for fatigue cracks depends on the location and orientation of the crack relative to the measurement locations. Crack-like defects have a directionality pattern of the scattered field depending on the angle of the incident wave relative to the defect orientation and on the ratio of the characteristic defect size to wavelength. The detailed angular dependency of the guided wave field scattered at crack-like defects in plate structures has been measured using a noncontact laser interferometer. Good agreement with 3D Finite Element simulation predictions was achieved for machined part-through and through-thickness notches. The amplitude of the scattered wave was quantified for a variation of angle of the incident wave relative to the defect orientation and the defect depth. These results provide the basis for the defect characterization in aerospace structures using guided wave sensors.

Risk of selected structural abnormalities in infants after increased nuchal translucency measurement.

PubMed

Baer, Rebecca J; Norton, Mary E; Shaw, Gary M; Flessel, Monica C; Goldman, Sara; Currier, Robert J; Jelliffe-Pawlowski, Laura L

2014-12-01

We sought to examine the association between increased first-trimester fetal nuchal translucency (NT) measurement and major noncardiac structural birth defects in euploid infants. Included were 75,899 singleton infants without aneuploidy or critical congenital heart defects born in California in 2009 through 2010 with NT measured between 11-14 weeks of gestation. Logistic binomial regression was employed to estimate relative risks (RRs) and 95% confidence intervals (CIs) for occurrence of birth defects in infants with an increased NT measurement (by percentile at crown-rump length [CRL] and by ≥3.5 mm compared to those with measurements <90th percentile for CRL). When considered by CRL adjusted percentile and by measurement ≥3.5 mm, infants with a NT ≥95th percentile were at risk of having ≥1 major structural birth defects (any defect, RR, 1.6; 95% CI, 1.3-1.9; multiple defects, RR, 2.1; 95% CI, 1.3-3.4). Infants with a NT measurement ≥95th percentile were at particularly high risk for pulmonary, gastrointestinal, genitourinary, and musculoskeletal anomalies (RR, 1.6-2.7; 95% CI, 1.1-5.4). Our findings demonstrate that risks of major pulmonary, gastrointestinal, genitourinary, and musculoskeletal structural birth defects exist for NT measurements ≥95th percentile. The ≥3-fold risks were observed for congenital hydrocephalus; agenesis, hypoplasia, and dysplasia of the lung; atresia and stenosis of the small intestine; osteodystrophies; and diaphragm anomalies. Copyright © 2014 Elsevier Inc. All rights reserved.

Formation and field-driven dynamics of nematic spheroids.

PubMed

Fu, Fred; Abukhdeir, Nasser Mohieddin

2017-07-19

Unlike the canonical application of liquid crystals (LCs), LC displays, emerging technologies based on LC materials are increasingly leveraging the presence of nanoscale defects. The inherent nanoscale characteristics of LC defects present both significant opportunities as well as barriers for the application of this fascinating class of materials. Simulation-based approaches to the study of the effects of confinement and interface anchoring conditions on LC domains has resulted in significant progress over the past decade, where simulations are now able to access experimentally-relevant length scales while simultaneously capturing nanoscale defect structures. In this work, continuum simulations were performed in order to study the dynamics of micron-scale nematic LC spheroids of varying shape. Nematic spheroids are one of the simplest inherently defect-containing LC structures and are relevant to polymer-dispersed LC-based "smart" window technology. Simulation results include nematic phase formation and external field-switching dynamics of nematic spheroids ranging in shape from oblate to prolate. Results include both qualitative and quantitative insight into the complex coupling of nanoscale defect dynamics and structure transitions to micron-scale reorientation. Dynamic mechanisms are presented and related to structural transitions in LC defects present in the nematic domain. Domain-averaged metrics including order parameters and response times are determined for a range of experimentally-accessible electric field strengths. These results have both fundamental and technological relevance, in that increased understanding of LC dynamics in the presence of defects is a key barrier to continued advancement in the field.

Left-right correlation in coupled F-center defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Janesko, Benjamin G., E-mail: b.janesko@tcu.edu

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

Stochastic annealing simulations of defect interactions among subcascades

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heinisch, H.L.; 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 performedmore » on high-energy, subcascade-producing cascades generated with the binary collision approximation and calibrated to MD results.« less

Linear and nonlinear Fano resonance in the main chain-structure of additional defects with an isolated ring composed of defects

NASA Astrophysics Data System (ADS)

Ding, Xiu-Huan; Wang, Rui; Qiao, Qian; Zhang, Cun-Xi

2018-03-01

As is well known, Fano resonance originates from the interference between a continuum energy band and an embedded discrete energy level. We study transmission properties of the discrete chain-structure of additional defects with an isolated ring composed of N defect states, and obtain the analytical transmission coefficient of similar Fano formula. Using the formula, we reveal conditions for perfect reflections and transmissions due to either destructive or constructive interferences. It is found that a nonlinear Kerr-like response leads to bistable transmission, and for either linear cases or nonlinear ones, the defects in main arrays have a major impact on perfect reflections, but has no effect on perfect transmission.

Structural manipulation of the graphene/metal interface with Ar+ irradiation

NASA Astrophysics Data System (ADS)

Åhlgren, E. H.; Hämäläinen, S. K.; Lehtinen, O.; Liljeroth, P.; Kotakoski, J.

2013-10-01

Controlled defect creation is a prerequisite for the detailed study of disorder effects in materials. Here, we irradiate a graphene/Ir(111) interface with low-energy Ar+ to study the induced structural changes. Combining computer simulations and scanning-probe microscopy, we show that the resulting disorder manifests mainly in the forms of intercalated metal adatoms and vacancy-type defects in graphene. One prominent feature at higher irradiation energies (from 1 keV up) is the formation of linelike depressions, which consist of sequential graphene defects created by the ion channeling within the interface, much like a stone skipping on water. Lower energies result in simpler defects, down to 100 eV, where more than one defect in every three is a graphene single vacancy.

Self-Assembly of an α-Helical Peptide into a Crystalline Two-Dimensional Nanoporous Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magnotti, Elizabeth L.; Hughes, Spencer A.; Dillard, Rebecca S.

Sequence-specific peptides have been demonstrated to self-assemble into structurally defined nanoscale objects including nanofibers, nanotubes, and nanosheets. The latter structures display significant promise for the construction of hybrid materials for functional devices due to their extended planar geometry. Realization of this objective necessitates the ability to control the structural features of the resultant assemblies through the peptide sequence. The design of a amphiphilic peptide, 3FD-IL, is described that comprises two repeats of a canonical 18 amino acid sequence associated with straight α-helical structures. Peptide 3FD-IL displays 3-fold screw symmetry in a helical conformation and self-assembles into nanosheets based on hexagonalmore » packing of helices. Biophysical evidence from TEM, cryo-TEM, SAXS, AFM, and STEM measurements on the 3FD-IL nanosheets support a structural model based on a honeycomb lattice, in which the length of the peptide determines the thickness of the nanosheet and the packing of helices defines the presence of nanoscale channels that permeate the sheet. The honeycomb structure can be rationalized on the basis of geometrical packing frustration in which the channels occupy defect sites that define a periodic superlattice. In conclusion, the resultant 2D materials may have potential as materials for nanoscale transport and controlled release applications.« less

Self-Assembly of an α-Helical Peptide into a Crystalline Two-Dimensional Nanoporous Framework

DOE PAGES

Magnotti, Elizabeth L.; Hughes, Spencer A.; Dillard, Rebecca S.; ...

2016-11-22

Sequence-specific peptides have been demonstrated to self-assemble into structurally defined nanoscale objects including nanofibers, nanotubes, and nanosheets. The latter structures display significant promise for the construction of hybrid materials for functional devices due to their extended planar geometry. Realization of this objective necessitates the ability to control the structural features of the resultant assemblies through the peptide sequence. The design of a amphiphilic peptide, 3FD-IL, is described that comprises two repeats of a canonical 18 amino acid sequence associated with straight α-helical structures. Peptide 3FD-IL displays 3-fold screw symmetry in a helical conformation and self-assembles into nanosheets based on hexagonalmore » packing of helices. Biophysical evidence from TEM, cryo-TEM, SAXS, AFM, and STEM measurements on the 3FD-IL nanosheets support a structural model based on a honeycomb lattice, in which the length of the peptide determines the thickness of the nanosheet and the packing of helices defines the presence of nanoscale channels that permeate the sheet. The honeycomb structure can be rationalized on the basis of geometrical packing frustration in which the channels occupy defect sites that define a periodic superlattice. In conclusion, the resultant 2D materials may have potential as materials for nanoscale transport and controlled release applications.« less

Point defect reduction in MOCVD (Al)GaN by chemical potential control and a comprehensive model of C incorporation in GaN

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Washiyama, Shun; Kaess, Felix; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-12-01

A theoretical framework that provides a quantitative relationship between point defect formation energies and growth process parameters is presented. It enables systematic point defect reduction by chemical potential control in metalorganic chemical vapor deposition (MOCVD) of III-nitrides. Experimental corroboration is provided by a case study of C incorporation in GaN. The theoretical model is shown to be successful in providing quantitative predictions of CN defect incorporation in GaN as a function of growth parameters and provides valuable insights into boundary phases and other impurity chemical reactions. The metal supersaturation is found to be the primary factor in determining the chemical potential of III/N and consequently incorporation or formation of point defects which involves exchange of III or N atoms with the reservoir. The framework is general and may be extended to other defect systems in (Al)GaN. The utility of equilibrium formalism typically employed in density functional theory in predicting defect incorporation in non-equilibrium and high temperature MOCVD growth is confirmed. Furthermore, the proposed theoretical framework may be used to determine optimal growth conditions to achieve minimum compensation within any given constraints such as growth rate, crystal quality, and other practical system limitations.

Experimental Insights into the Origin of Defect-Structured Hibonites Found in Meteorites

NASA Technical Reports Server (NTRS)

Han. J.; Keller, L. P.; Danielson, L. R.

2016-01-01

Hibonite (CaAl12O19) is a primary, highly refractory phase occurring in many Ca-Al-rich inclusions (CAIs). Previous microstructural studies of hibonite in CAIs and their Wark-Lovering (WL) rims showed the presence of numerous stacking defects in hibonites. These defects are interpreted as the modification of the stacking sequences of spinel and Ca-containing blocks within the ideal hexagonal hibonite structure due to the presence of wider spinel blocks [3], as shown by experimental studies of reaction-sintered compounds in the CaO-Al2O3 system. We performed a series of experiments in the CaO-Al2O3-MgO system in order to provide additional in-sights into the formation processes and conditions of defect-structured hibonites found in meteorites.

Ni xWO 2.72 nanorods as an efficient electrocatalyst for oxygen evolution reaction

DOE PAGES

Xi, Zheng; Mendoza-Garcia, Adriana; Zhu, Huiyuan; ...

2017-01-13

Ni xWO 2.72 nanorods (NRs) are synthesized by a one-pot reaction of Ni(acac) 2 and WCl 4. In the rod structure, Ni(II) intercalates in the defective perovskite-type WO 2.72 and is stabilized. The Ni xWO 2.72 NRs show the x-dependent electrocatalysis for the oxygen evolution reaction (OER) in 0.1M KOH with Ni 0.78WO 2.72 being the most efficient, even outperforming the commercial Ir-catalyst. Lastly, the synthesis is not limited to Ni xWO 2.72 but can be extended to M xWO 2.72 (M = Co, Fe) as well, providing a new class of oxide-based catalysts for efficient OER and other energymore » conversion reactions.« less

STRUCTURE OF MEMBRANE HOLES IN OSMOTIC AND SAPONIN HEMOLYSIS

PubMed Central

Seeman, P.; Cheng, D.; Iles, G. H.

1973-01-01

Serial section electron microscopy of hemolysing erythrocytes (fixed at 12 s after the onset of osmotic hemolysis) revealed long slits and holes in the membrane, extending to around 1 µm in length. Many but not all of the slits and holes (about 100–1000 Å wide) were confluent with one another. Ferritin and colloidal gold (added after fixation) only permeated those cells containing membrane defects. No such large holes or slits were seen in saponin-treated erythrocytes, and the membrane was highly invaginated, giving the ghost a scalloped outline. Freeze-etch electron microscopy of saponin-treated membranes revealed 40–50 Å-wide pits in the extracellular surface of the membrane. If these pits represent regions from which cholesterol was extracted, then cholesterol is uniformly distributed over the entire erythrocyte membrane. PMID:4566525

Li-Like CX

NASA Astrophysics Data System (ADS)

Dorsey, Zachary

2018-06-01

A fantastic discovery in 1996 caused an epiphany when it was realized that the charge exchange (CX) process was an important source of X-ray emission from comets. Over the last two decades, CX induced X-ray emission has been detected in a wide variety of solar and extra-solar sources. Recently, our group developed the Kronos database which contains CX cross sections and emission spectra for all H-like and most He-Like ions up to iron, based primarily on multichannel Landau-Zener calculations. Here we present preliminary results for extending Kronos to Li-like ions. Due to the incompleteness of highly-charged Li-like atomic structure data, we estimate missing energy levels and transition probabilities with a quantum defect approach and the package Autostructure.This work was support by NASA grants NNX13AF31G.

Polypeptide Liquid Crystal Assisted Assembly of Cylindrically Symmetric Silica-Polypeptide Hybrid Microparticles

NASA Astrophysics Data System (ADS)

Russo, Paul; Rosu, Cornelia; Jacobeen, Shane; Park, Katherine; Yunker, Peter; Reichmanis, Elsa

Liquid crystals can organize dispersed particles into exotic structures. Matching the particle surface coating to the chemistry of the mesogenic phase permits a tight focus on factors such as extended particle shape. The colloidal particles developed for this work consist of a magnetic and fluorescent cylinder-like silica core. One end of the silica is rounded, almost hemispherical, giving the particles a bullet-like shape. These particles are functionalized with helical poly(γ-stearyl-L-glutamate) and dispersed, at different concentrations in cholesteric liquid crystals (ChLC) of the same polymer in tetrahydrofuran. Defects introduced by the particles to the director field of the bulk PSLG/THF host led to a variety of phases, including a quasi-hexagonal alignment of the particles. National Science Foundation.

Elastic Properties and Enhanced Piezoelectric Response at Morphotropic Phase Boundaries

PubMed Central

Cordero, Francesco

2015-01-01

The search for improved piezoelectric materials is based on the morphotropic phase boundaries (MPB) between ferroelectric phases with different crystal symmetry and available directions for the spontaneous polarization. Such regions of the composition x−T phase diagrams provide the conditions for minimal anisotropy with respect to the direction of the polarization, so that the polarization can easily rotate maintaining a substantial magnitude, while the near verticality of the TMPBx boundary extends the temperature range of the resulting enhanced piezoelectricity. Another consequence of the quasi-isotropy of the free energy is a reduction of the domain walls energies, with consequent formation of domain structures down to nanoscale. Disentangling the extrinsic and intrinsic contributions to the piezoelectricity in such conditions requires a high level of sophistication from the techniques and analyses for studying the structural, ferroelectric and dielectric properties. The elastic characterization is extremely useful in clarifying the phenomenology and mechanisms related to ferroelectric MPBs. The relationship between dielectric, elastic and piezoelectric responses is introduced in terms of relaxation of defects with electric dipole and elastic quadrupole, and extended to the response near phase transitions in the framework of the Landau theory. An account is provided of the anelastic experiments, from torsional pendulum to Brillouin scattering, that provided new important information on ferroelectric MPBs, including PZT, PMN-PT, NBT-BT, BCTZ, and KNN-based systems. PMID:28793707

Advances in low-defect multilayers for EUVL mask blanks

NASA Astrophysics Data System (ADS)

Folta, James A.; Davidson, J. Courtney; Larson, Cindy C.; Walton, Christopher C.; Kearney, Patrick A.

2002-07-01

Low-defect multilayer coatings are required to fabricate mask blanks for Extreme Ultraviolet Lithography (EUVL). The mask blanks consist of high reflectance EUV multilayers on low thermal expansion substrates. A defect density of 0.0025 printable defects/cm2 for both the mask substrate and the multilayer is required to provide a mask blank yield of 60 percent. Current low defect multilayer coating technology allows repeated coating-added defect levels of 0.05/cm2 for defects greater than 90 nm polystyrene latex sphere (PSL) equivalent size for lots of 20 substrates. Extended clean operation of the coating system at levels below 0.08/cm2 for 3 months of operation has also been achieved. Two substrates with zero added defects in the quality area have been fabricated, providing an existence proof that ultra low defect coatings are possible. Increasing the ion source-to-target distance from 410 to 560 mm to reduce undesired coating of the ion source caused the defect density to increase to 0.2/cm2. Deposition and etching diagnostic witness substrates and deposition pinhole cameras showed a much higher level of ion beam spillover (ions missing the sputter target) than expected. Future work will quantify beam spillover, and test designs to reduce spillover, if it is confirmed to be the cause of the increased defect level. The LDD system will also be upgraded to allow clean coating of standard format mask substrates. The upgrade will confirm that the low defect process developed on Si wafers is compatible with the standard mask format 152 mm square substrates, and will provide a clean supply of EUVL mask blanks needed to support development of EUVL mask patterning processes and clean mask handling technologies.

Automated reticle inspection data analysis for wafer fabs

NASA Astrophysics Data System (ADS)

Summers, Derek; Chen, Gong; Reese, Bryan; Hutchinson, Trent; Liesching, Marcus; Ying, Hai; Dover, Russell

2008-10-01

To minimize potential wafer yield loss due to mask defects, most wafer fabs implement some form of reticle inspection system to monitor photomask quality in high-volume wafer manufacturing environments. Traditionally, experienced operators review reticle defects found by an inspection tool and then manually classify each defect as 'pass, warn, or fail' based on its size and location. However, in the event reticle defects are suspected of causing repeating wafer defects on a completed wafer, potential defects on all associated reticles must be manually searched on a layer-by-layer basis in an effort to identify the reticle responsible for the wafer yield loss. This 'problem reticle' search process is a very tedious and time-consuming task and may cause extended manufacturing line-down situations. Often times, Process Engineers and other team members need to manually investigate several reticle inspection reports to determine if yield loss can be tied to a specific layer. Because of the very nature of this detailed work, calculation errors may occur resulting in an incorrect root cause analysis effort. These delays waste valuable resources that could be spent working on other more productive activities. This paper examines an automated software solution for converting KLA-Tencor reticle inspection defect maps into a format compatible with KLA-Tencor's Klarity DefecTM data analysis database. The objective is to use the graphical charting capabilities of Klarity Defect to reveal a clearer understanding of defect trends for individual reticle layers or entire mask sets. Automated analysis features include reticle defect count trend analysis and potentially stacking reticle defect maps for signature analysis against wafer inspection defect data. Other possible benefits include optimizing reticle inspection sample plans in an effort to support "lean manufacturing" initiatives for wafer fabs.

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

PubMed

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

2016-07-20

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

FOREWORD International Conference on Defects in Insulating Materials

NASA Astrophysics Data System (ADS)

Valerio, Mário Ernesto Giroldo; Jackson, R. A.

2010-11-01

These proceedings represent a sample of the scientific works presented during ICDIM2008, the 16th International Conference on Defects in Insulating Materials, held at the Federal University of Sergipe, Aracaju, Brazil from 24-29 August 2008. The conference was the latest in a series which began at Argonne in 1956, and which has been held most recently in Riga, Latvia (2004) and Johannesburg, South Africa (2000). The conference was also related scientifically to the EURODIM series, which have been held most recently in Milan, Italy (2006), Wroclaw, Poland (2002) and Pecs, Hungary (2010). The aim of the conference was to bring together physicists, chemists and materials scientist to discuss defects in insulating materials and their effect on materials, including their optical, mass/charge transport, energy storage and sensor properties. The conference featured 6 plenary lectures, 60 contributed lectures and about 130 posters. The posters were displayed for the whole conference, but discussed in two three-hour sessions. We are grateful to the International Advisory Committee for suggesting invited speakers and to the Programme Committee for their help in refereeing all the abstracts and choosing the contributed oral contributions. We would also like to thank the Local Organising Committee and the Brazilian Physical Society for their help with local organisation and the online registration/payment process respectively. The chairpersons would like to specially thanks all the sponsors listed below for financial support. The Federal University of Sergipe, one of the public and 'free tuition' Universities of the Country, run by the Brazilian Ministry of Education, were pleased to host this 16th meeting, the first one in Latin America. Mario E G Valerio Conference Chair Robert A Jackson Programme Chair Conference Scope Scope of the Conference was the presentation of the latest investigations on point and extended defects in bulk materials and thin films. Technological applications will be presented alongside fundamental measurements and theories. The main scientific areas included: 1 Fundamental physical phenomena Point and extended defects in wide band-gap systems: oxides, fluorides, nitrides, alkali- and silver-halides, perovskites, minerals, ceramics, nano-structures, organic molecular crystals, glasses, high-k and low-k materials, photonic crystals. 2 Defects at surfaces and interfaces Thin films and low-dimensional systems. Colloids, nano-crystals, and aggregates. Defects and material preparation technology. Defects modelling and computational methods. Radiation effects, radiation induced defects, colour centres. Luminescence of excitons, impurities, and defects. Electronic excitations, excited state dynamics, radiative and non-radiative relaxations. Scintillation, energy transfer and storage, carrier trapping phenomena. Non-linear optical phenomena. Laser active centres. Phonons and defects, electron-phonon interactions. Defect diffusion, ionic relaxations, ionic transport. 3 Technological applications Radiologic imaging and detection, scintillators, and dosimeters. Optical devices and photonics, photorefractive electro-optics, optical fibres, lasers. Materials for micro-electronics. Solid electrolytes, fuel cells, electrochemical sensors, fast ionic conductors. Conference chairpersons: Mário E G Valerio (Conference Chairman), Physics Department, Federal University of Sergipe, SE, Brasil Robert A Jackson (Programme Chairman), School of Physical and Geographical Sciences, Keele University, Keele, UK Conference committees: International Advisory Committee R Capelletti, Italy A V Chadwick, UK J Corish, Ireland J D Comins, South Africa H W den Hartog, The Netherlands K Funke, Germany Robert A Jackson, UK O Kanert, Germany A A Kaplyanskii, Russia A Lushchik, Estonia F Lüty, USA M Moreno, Spain P E Ngoepe, South Africa M Nikl, Czech Republic S V Nistor, Romania Ch Pedrini, France O F Schirmer, Germany J-M Spaeth, Germany A M Stoneham, UK M Suszynska, Poland I Tale, Latvia M E G Valerio, Brasil R T Williams, USA Programme Committee Robert A Jackson (Chair), University of Keele, UK R M Montereali, ENEA C.R. Frascati, Rome, Italy M Moreno, University of Cantabria, Spain Ch Pedrini, University Lyon, France Klaus W H Krambrock, UFMG, MG, Brasil Volkmar Dierolf, Lehigh University, USA Laszlo Kovács, Hungarian Academy of Sciences, Hungary M E G Valerio, UFS, SE, Brasil Local Organizing Committee M E G Valerio, UFS, SE, Brasil Sonia L Baldochi, IPEN, SP, Brasil Klaus W H Krambrock, UFMG, MG, Brasil Livio Amaral, UFRGS, RS, Brasil Ana R Blak, USP, SP, Brasil Marco Cremona, PUC-RJ, RJ, Brasil Anderson S L Gomes, UFPE, PE, Brasil Spero Penha Morato, LaserTools, SP, Brasil Alejandro Ayala, UFC, CE, Brasil ICDIM2008 Sponsors: Sponsors

Preface of 16th International conference on Defects, Recognition, Imaging and Physics in Semiconductors

NASA Astrophysics Data System (ADS)

Yang, Deren; Xu, Ke

2016-11-01

The 16th International conference on Defects-Recognition, Imaging and Physics in Semiconductors (DRIP-XVI) was held at the Worldhotel Grand Dushulake in Suzhou, China from 6th to 10th September 2015, around the 30th anniversary of the first DRIP conference. It was hosted by the Suzhou Institute of Nano-tech and Nano-bionics (SINANO), Chinese Academy of Sciences. On this occasion, about one hundred participants from nineteen countries attended the event. And a wide range of subjects were addressed during the conference: physics of point and extended defects in semiconductors: origin, electrical, optical and magnetic properties of defects; diagnostics techniques of crystal growth and processing of semiconductor materials (in-situ and process control); device imaging and mapping to evaluate performance and reliability; defect analysis in degraded optoelectronic and electronic devices; imaging techniques and instruments (proximity probe, x-ray, electron beam, non-contact electrical, optical and thermal imaging techniques, etc.); new frontiers of atomic-scale-defect assessment (STM, AFM, SNOM, ballistic electron energy microscopy, TEM, etc.); new approaches for multi-physic-parameter characterization with Nano-scale space resolution. Within these subjects, there were 58 talks, of which 18 invited, and 50 posters.

Discrete elastic model for two-dimensional melting.

PubMed

Lansac, Yves; Glaser, Matthew A; Clark, Noel A

2006-04-01

We present a network model for the study of melting and liquid structure in two dimensions, the first in which the presence and energy of topological defects (dislocations and disclinations) and of geometrical defects (elemental voids) can be independently controlled. Interparticle interaction is via harmonic springs and control is achieved by Monte Carlo moves which springs can either be orientationally "flipped" between particles to generate topological defects, or can be "popped" in force-free shape, to generate geometrical defects. With the geometrical defects suppressed the transition to the liquid phase occurs via disclination unbinding, as described by the Kosterlitz-Thouless-Halperin-Nelson-Young model and found in soft potential two-dimensional (2D) systems, such as the dipole-dipole potential [H. H. von Grünberg, Phys. Rev. Lett. 93, 255703 (2004)]. By contrast, with topological defects suppressed, a disordering transition, the Glaser-Clark condensation of geometrical defects [M. A. Glaser and N. A. Clark, Adv. Chem. Phys. 83, 543 (1993); M. A. Glaser, (Springer-Verlag, Berlin, 1990), Vol. 52, p. 141], produces a state that accurately characterizes the local liquid structure and first-order melting observed in hard-potential 2D systems, such as hard disk and the Weeks-Chandler-Andersen (WCA) potentials (M. A. Glaser and co-workers, see above). Thus both the geometrical and topological defect systems play a role in melting. The present work introduces a system in which the relative roles of topological and geometrical defects and their interactions can be explored. We perform Monte Carlo simulations of this model in the isobaric-isothermal ensemble, and present the phase diagram as well as various thermodynamic, statistical, and structural quantities as a function of the relative populations of geometrical and topological defects. The model exhibits a rich phase behavior including hexagonal and square crystals, expanded crystal, dodecagonal quasicrystal, and isotropic liquid phases. In this system the geometrical defects effectively control the melting, reducing the solid-liquid transition temperature by a factor of relative to the topological-only case. The local structure of the dense liquid has been investigated and the results are compared to that from simulations of WCA systems.

Does the use of an acellular dermal graft in abdominal closure after rectus flap harvest impact the occurrence of post-operative hernia?

PubMed

Saman, Masoud; Kadakia, Sameep; Ducic, Yadranko

2015-12-01

Patients with rectus free flap harvest extending below the arcuate line are predisposed to postoperative hernia formation. As such, many authors have advocated the use of closure adjuncts to increase the integrity of the closure and prevent hernia or abdominal wall bulging. Busy level 1 public trauma center in metropolitan Fort Worth, Texas Following harvest of the rectus free flap, 48 patients underwent primary closure; 24 of these patients had defects extending below the arcuate line. Forty patients were closed with an acellular dermal graft; 22 of these patients had defects extending below the arcuate line. Postoperative hernia formation and local infection rate were examined in a minimum follow-up period of 1 year. Regardless of closure method, no hernias were observed in the postoperative period. Using an unpaired t test and an alpha value of 0.05, there was no statistically significant difference in the infection rate between the two groups. Following rectus abdominis myocutaneous free flap harvest, the use of an acellular dermal graft in abdominal wall closure may not be of any further advantage in the prevention of hernia. Retrospective (Level III).

Imaging and manipulation of adatoms on an alumina surface by noncontact atomic force microscopy

NASA Astrophysics Data System (ADS)

Simon, G. H.; Heyde, M.; Freund, H.-J.

2012-02-01

Noncontact atomic force microscopy (NC-AFM) has been performed on an aluminum oxide film grown on NiAl(110) in ultrahigh vacuum (UHV) at low temperature (5 K). Results reproduce the topography of the structural model, unlike scanning tunnelling microscopy (STM) images. Equipped with this extraordinary contrast the network of extended defects, which stems from domain boundaries intersecting the film surface, can be analysed in atomic detail. The knowledge of occurring surface structures opens up the opportunity to determine adsorption sites of individual adsorbates on the alumina film. The level of difficulty for such imaging depends on the imaging characteristics of the substrate and the interaction which can be maintained above the adsorbate. Positions of single adsorbed gold atoms within the unit cell have been determined despite their easy removal at slightly higher interaction strength. Preliminary manipulation experiments indicate a pick-up process for the vanishing of the gold adatoms from the film surface.

Multiple resonant absorber with prism-incorporated graphene and one-dimensional photonic crystals in the visible and near-infrared spectral range

NASA Astrophysics Data System (ADS)

Zou, X. J.; Zheng, G. G.; Chen, Y. Y.; Xu, L. H.; Lai, M.

2018-04-01

A multi-band absorber constructed from prism-incorporated one-dimensional photonic crystal (1D-PhC) containing graphene defects is achieved theoretically in the visible and near-infrared (vis-NIR) spectral range. By means of the transfer matrix method (TMM), the effect of structural parameters on the optical response of the structure has been investigated. It is possible to achieve multi-peak and complete optical absorption. The simulations reveal that the light intensity is enhanced at the graphene plane, and the resonant wavelength and the absorption intensity can also be tuned by tilting the incidence angle of the impinging light. In particular, multiple graphene sheets are embedded in the arrays, without any demand of manufacture process to cut them into periodic patterns. The proposed concept can be extended to other two-dimensional (2D) materials and engineered for promising applications, including selective or multiplex filters, multiple channel sensors, and photodetectors.

Brittle-to-Ductile Transition in Metallic Glass Nanowires.

PubMed

Şopu, D; Foroughi, A; Stoica, M; Eckert, J

2016-07-13

When reducing the size of metallic glass samples down to the nanoscale regime, experimental studies on the plasticity under uniaxial tension show a wide range of failure modes ranging from brittle to ductile ones. Simulations on the deformation behavior of nanoscaled metallic glasses report an unusual extended strain softening and are not able to reproduce the brittle-like fracture deformation as found in experiments. Using large-scale molecular dynamics simulations we provide an atomistic understanding of the deformation mechanisms of metallic glass nanowires and differentiate the extrinsic size effects and aspect ratio contribution to plasticity. A model for predicting the critical nanowire aspect ratio for the ductile-to-brittle transition is developed. Furthermore, the structure of brittle nanowires can be tuned to a softer phase characterized by a defective short-range order and an excess free volume upon systematic structural rejuvenation, leading to enhanced tensile ductility. The presented results shed light on the fundamental deformation mechanisms of nanoscaled metallic glasses and demarcate ductile and catastrophic failure.

Microstructure and interface analysis of emerging Ga(Sb,Bi) epilayers and Ga(Sb,Bi)/GaSb quantum wells for optoelectronic applications

NASA Astrophysics Data System (ADS)

Luna, E.; Delorme, O.; Cerutti, L.; Tournié, E.; Rodriguez, J.-B.; Trampert, A.

2018-04-01

Using transmission electron microscopy, we present an in-depth microstructural analysis of a series of Ga(Sb,Bi) epilayers and Ga(Sb,Bi)/GaSb quantum wells grown on GaSb(001) substrates by molecular beam epitaxy. Despite the dilute bismide compound Ga(Sb,Bi) is regarded as a highly-mismatched alloy, we find that the material is of remarkable structural perfection, even up to 11%-14% Bi, the maximum Bi concentration incorporated into GaSb so far. No extended defects, nanoclusters, or composition modulations are detectable in the pseudomorphic layers. In addition, the quantum wells exhibit regular and homogeneous morphologies including smooth and stable interfaces with a chemical width on the same order as in other high-quality III-V heterointerfaces. These results may give reasons for the recent successful realization of mid-infrared lasers with room temperature operation based on the very same quantum well structures.

Imaging of a Defect in Thin Plates Using the Time Reversal of Single Mode Lamb Waves

NASA Astrophysics Data System (ADS)

Jeong, Hyunjo; Lee, Jung-Sik; Bae, Sung-Min

2011-06-01

This paper presents an analytical investigation for a baseline-free imaging of a defect in plate-like structures using the time-reversal of Lamb waves. We first consider the flexural wave (A0 mode) propagation in a plate containing a defect, and reception and time reversal process of the output signal at the receiver. The received output signal is then composed of two parts: a directly propagated wave and a scattered wave from the defect. The time reversal of these waves recovers the original input signal, and produces two additional sidebands that contain the time-of-flight information on the defect location. One of the side band signals is then extracted as a pure defect signal. A defect localization image is then constructed from a beamforming technique based on the time-frequency analysis of the side band signal for each transducer pair in a network of sensors. The simulation results show that the proposed scheme enables the accurate, baseline-free detection of a defect, so that experimental studies are needed to verify the proposed method and to be applied to real structure.

Further development of image processing algorithms to improve detectability of defects in Sonic IR NDE

NASA Astrophysics Data System (ADS)

Obeidat, Omar; Yu, Qiuye; Han, Xiaoyan

2017-02-01

Sonic Infrared imaging (SIR) technology is a relatively new NDE technique that has received significant acceptance in the NDE community. SIR NDE is a super-fast, wide range NDE method. The technology uses short pulses of ultrasonic excitation together with infrared imaging to detect defects in the structures under inspection. Defects become visible to the IR camera when the temperature in the crack vicinity increases due to various heating mechanisms in the specimen. Defect detection is highly affected by noise levels as well as mode patterns in the image. Mode patterns result from the superposition of sonic waves interfering within the specimen during the application of sound pulse. Mode patterns can be a serious concern, especially in composite structures. Mode patterns can either mimic real defects in the specimen, or alternatively, hide defects if they overlap. In last year's QNDE, we have presented algorithms to improve defects detectability in severe noise. In this paper, we will present our development of algorithms on defect extraction targeting specifically to mode patterns in SIR images.

Effect of copper on the recombination activity of extended defects in silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feklisova, O. V., E-mail: feklisov@iptm.ru; Yakimov, E. B.

2015-06-15

The effect of copper atoms introduced by high-temperature diffusion on the recombination properties of dislocations and dislocation trails in p-type single-crystal silicon is studied by the electron-beam-induced current technique. It is shown that, in contrast to dislocations, dislocation trails exhibit an increase in recombination activity after the introduction of copper. Bright contrast appearance in the vicinity of dislocation trails is detected after the diffusion of copper and quenching of the samples. The contrast depends on the defect density in these trails.

Incorporation of composite defects from ultrasonic NDE into CAD and FE models

NASA Astrophysics Data System (ADS)

Bingol, Onur Rauf; Schiefelbein, Bryan; Grandin, Robert J.; Holland, Stephen D.; Krishnamurthy, Adarsh

2017-02-01

Fiber-reinforced composites are widely used in aerospace industry due to their combined properties of high strength and low weight. However, owing to their complex structure, it is difficult to assess the impact of manufacturing defects and service damage on their residual life. While, ultrasonic testing (UT) is the preferred NDE method to identify the presence of defects in composites, there are no reasonable ways to model the damage and evaluate the structural integrity of composites. We have developed an automated framework to incorporate flaws and known composite damage automatically into a finite element analysis (FEA) model of composites, ultimately aiding in accessing the residual life of composites and make informed decisions regarding repairs. The framework can be used to generate a layer-by-layer 3D structural CAD model of the composite laminates replicating their manufacturing process. Outlines of structural defects, such as delaminations, are automatically detected from UT of the laminate and are incorporated into the CAD model between the appropriate layers. In addition, the framework allows for direct structural analysis of the resulting 3D CAD models with defects by automatically applying the appropriate boundary conditions. In this paper, we show a working proof-of-concept for the composite model builder with capabilities of incorporating delaminations between laminate layers and automatically preparing the CAD model for structural analysis using a FEA software.

Semiconducting molecular crystals: Bulk in-gap states modified by structural and chemical defects

NASA Astrophysics Data System (ADS)

Haas, S.; Krellner, C.; Goldmann, C.; Pernstich, K. P.; Gundlach, D. J.; Batlogg, B.

2007-03-01

Charge transport in organic molecular crystals is strongly influenced by the density of localized in-gap states (traps). Thus, a profound knowledge of the defect states' origin is essential. Temperature-dependent space-charge limited current (TD-SCLC) spectroscopy was used as a powerful tool to quantitatively study the density of states (DOS) in high-quality rubrene and pentacene single crystals. In particular, changes of the DOS due to intentionally induced chemical and structural defects were monitored. For instance, the controlled exposure of pentacene and rubrene to x-ray radiation results in a broad over-all increase of the DOS. Namely, the ionizing radiation induces a variety of both chemical and structural defects. On the other hand, exposure of rubrene to UV-excited oxygen is reflected in a sharp peak in the DOS, whereas in a similar experiment with pentacene oxygen acts as a dopant, and possible defects are metastable on the time-scale of the measurement, thus leaving the extracted DOS virtually unchanged.

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

NASA Astrophysics Data System (ADS)

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.

Chevron Defect at the Intersection of Grain Boundaries with Free Surfaces in Au

NASA Astrophysics Data System (ADS)

Radetic, T.; Lançon, F.; Dahmen, U.

2002-08-01

We have identified a new defect at the intersection between grain boundaries and surfaces in Au using atomic resolution transmission electron microscopy. At the junction line of 90° <110> tilt grain boundaries of (110)-(001) orientation with the free surface, a small segment of the grain boundary, about 1nm in length, dissociates into a triangular region with a chevronlike stacking disorder and a distorted hcp structure. The structure and stability of these defects are confirmed by atomistic simulations, and we point out the relationship with the one-dimensional incommensurate structure of the grain boundary.

STEM-HAADF electron microscopy analysis of the central dark line defect of human tooth enamel crystallites.

PubMed

Gasga, Jose Reyes; Carbajal-de-la-Torre, Georgina; Bres, Etienne; Gil-Chavarria, Ivet M; Rodríguez-Hernández, Ana G; Garcia-Garcia, Ramiro

2008-02-01

When human tooth enamel is observed with the Transmission Electron Microscope (TEM), a structural defect is registered in the central region of their nanometric grains or crystallites. This defect has been named as Central Dark Line (CDL) and its structure and function in the enamel structure have been unknown yet. In this work we present the TEM analysis to these crystallites using the High Angle Annular Dark Field (HAADF) technique. Our results suggest that the CDL region is the calcium richest part of the human tooth enamel crystallites.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe

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.

Understanding individual defects in CdTe thin-film solar cells via STEM: From atomic structure to electrical activity

DOE PAGES

Li, Chen; Poplawsky, Jonathan; Yan, Yanfa; ...

2017-07-01

Here in this paper we review a systematic study of the structure-property correlations of a series of defects in CdTe solar cells. A variety of experimental methods, including aberration-corrected scanning transmission electron microscopy, electron energy loss spectroscopy, energy dispersive X-ray spectroscopy, and electron-beam-induced current have been combined with density-functional theory. The research traces the connections between the structures and electrical activities of individual defects including intra-grain partial dislocations, grain boundaries and the CdTe/CdS interface. The interpretations of the physical origin underlying the structure-property correlation provide insights that should further the development of future CdTe solar cells.

Periodic surface structure bifurcation induced by ultrafast laser generated point defect diffusion in GaAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abere, Michael J.; Yalisove, Steven M.; Torralva, Ben

2016-04-11

The formation of high spatial frequency laser induced periodic surface structures (HSFL) with period <0.3 λ in GaAs after irradiation with femtosecond laser pulses in air is studied. We have identified a point defect generation mechanism that operates in a specific range of fluences in semiconductors between the band-gap closure and ultrafast-melt thresholds that produces vacancy/interstitial pairs. Stress relaxation, via diffusing defects, forms the 350–400 nm tall and ∼90 nm wide structures through a bifurcation process of lower spatial frequency surface structures. The resulting HSFL are predominately epitaxial single crystals and retain the original GaAs stoichiometry.