Fractal nematic colloids

NASA Astrophysics Data System (ADS)

Hashemi, S. M.; Jagodič, U.; Mozaffari, M. R.; Ejtehadi, M. R.; Muševič, I.; Ravnik, M.

2017-01-01

Fractals are remarkable examples of self-similarity where a structure or dynamic pattern is repeated over multiple spatial or time scales. However, little is known about how fractal stimuli such as fractal surfaces interact with their local environment if it exhibits order. Here we show geometry-induced formation of fractal defect states in Koch nematic colloids, exhibiting fractal self-similarity better than 90% over three orders of magnitude in the length scales, from micrometers to nanometres. We produce polymer Koch-shaped hollow colloidal prisms of three successive fractal iterations by direct laser writing, and characterize their coupling with the nematic by polarization microscopy and numerical modelling. Explicit generation of topological defect pairs is found, with the number of defects following exponential-law dependence and reaching few 100 already at fractal iteration four. This work demonstrates a route for generation of fractal topological defect states in responsive soft matter.

Fractal nematic colloids

PubMed Central

Hashemi, S. M.; Jagodič, U.; Mozaffari, M. R.; Ejtehadi, M. R.; Muševič, I.; Ravnik, M.

2017-01-01

Fractals are remarkable examples of self-similarity where a structure or dynamic pattern is repeated over multiple spatial or time scales. However, little is known about how fractal stimuli such as fractal surfaces interact with their local environment if it exhibits order. Here we show geometry-induced formation of fractal defect states in Koch nematic colloids, exhibiting fractal self-similarity better than 90% over three orders of magnitude in the length scales, from micrometers to nanometres. We produce polymer Koch-shaped hollow colloidal prisms of three successive fractal iterations by direct laser writing, and characterize their coupling with the nematic by polarization microscopy and numerical modelling. Explicit generation of topological defect pairs is found, with the number of defects following exponential-law dependence and reaching few 100 already at fractal iteration four. This work demonstrates a route for generation of fractal topological defect states in responsive soft matter. PMID:28117325

Similar local order in disordered fluorite and aperiodic pyrochlore structures

DOE PAGES

Shamblin, Jacob; Tracy, Cameron; Palomares, Raul; ...

2017-10-01

A major challenge to understanding the response of materials to extreme environments (e.g., nuclear fuels/waste forms and fusion materials) is to unravel the processes by which a material can incorporate atomic-scale disorder, and at the same time, remain crystalline. While it has long been known that all condensed matter, even liquids and glasses, possess short-range order, the relation between fully-ordered, disordered, and aperiodic structures over multiple length scales is not well understood. For example, when defects are introduced (via pressure or irradiation) into materials adopting the pyrochlore structure, these complex oxides either disorder over specific crystallographic sites, remaining crystalline, ormore » become aperiodic. Here we present neutron total scattering results characterizing the irradiation response of two pyrochlores, one that is known to disorder (Er2Sn2O7) and the other to amorphize (Dy2Sn2O7) under ion irradiation. The results demonstrate that in both cases, the local pyrochlore structure is transformed into similar short range configurations that are best fit by the orthorhombic weberite structure, even though the two compositions have distinctly different structures, aperiodic vs. disordered-crystalline, at longer length scales. Thus, a material's resistance to amorphization may not depend primarily on local defect formation energies, but rather on the structure's compatibility with meso-scale modulations of the local order in a way that maintains long-range periodicity.« less

A qualitative study of spin polarization effect in defect tuned Co/graphene/Co nanostructures

NASA Astrophysics Data System (ADS)

Mandal, Sumit; Saha, Shyamal K.

2014-10-01

Theoretical reports predict that in contact with a ferromagnetic giant spin, spin polarization evolves in defective graphene since defects in graphene act as local spin moments. We have synthesized different Co/graphene/Co nano spin valve like structures tuning the degree of defect applying ultrasonic vibration and characterized them by Raman spectroscopy. Initially with increasing ID/IG ratio in Raman spectra, antiferromagnetic coupling between the Co nanosheets on either sides of graphene enhances leading to betterment in spin transport through graphene. But for highest ID/IG, a totally new phenomenon called antiferro quadrupolar ordering (AFQ) takes place which eventually reduces the spin polarization effect.

A constructive nonlinear array (CNA) method for barely visible impact detection in composite materials

NASA Astrophysics Data System (ADS)

Malfense Fierro, Gian Piero; Meo, Michele

2017-04-01

Currently there are numerous phased array techniques such as Full Matrix Capture (FMC) and Total Focusing Method (TFM) that provide good damage assessment for composite materials. Although, linear methods struggle to evaluate and assess low levels of damage, while nonlinear methods have shown great promise in early damage detection. A sweep and subtraction evaluation method coupled with a constructive nonlinear array method (CNA) is proposed in order to assess damage specific nonlinearities, address issues with frequency selection when using nonlinear ultrasound imaging techniques and reduce equipment generated nonlinearities. These methods were evaluated using multiple excitation locations on an impacted composite panel with a complex damage (barely visible impact damage). According to various recent works, damage excitation can be accentuated by exciting at local defect resonance (LDR) frequencies; although these frequencies are not always easily determinable. The sweep methodology uses broadband excitation to determine both local defect and material resonances, by assessing local defect generated nonlinearities using a laser vibrometer it is possible to assess which frequencies excite the complex geometry of the crack. The dual effect of accurately determining local defect resonances, the use of an image subtraction method and the reduction of equipment based nonlinearities using CNA result in greater repeatability and clearer nonlinear imaging (NIM).

Deciphering chemical order/disorder and material properties at the single-atom level.

PubMed

Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.

Topological framework for local structure analysis in condensed matter

PubMed Central

Lazar, Emanuel A.; Han, Jian; Srolovitz, David J.

2015-01-01

Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent particles, understanding that structure is a primary objective of condensed matter research. Although perfect crystals are fully described by a set of translation and basis vectors, real-world materials are never perfect, as thermal vibrations and defects introduce significant deviation from ideal order. Meanwhile, liquids and glasses present yet more complexity. A complete understanding of structure thus remains a central, open problem. Here we propose a unified mathematical framework, based on the topology of the Voronoi cell of a particle, for classifying local structure in ordered and disordered systems that is powerful and practical. We explain the underlying reason why this topological description of local structure is better suited for structural analysis than continuous descriptions. We demonstrate the connection of this approach to the behavior of physical systems and explore how crystalline structure is compromised at elevated temperatures. We also illustrate potential applications to identifying defects in plastically deformed polycrystals at high temperatures, automating analysis of complex structures, and characterizing general disordered systems. PMID:26460045

Trapping photons on the line: controllable dynamics of a quantum walk

NASA Astrophysics Data System (ADS)

Xue, Peng; Qin, Hao; Tang, Bao

2014-04-01

Optical interferometers comprising birefringent-crystal beam displacers, wave plates, and phase shifters serve as stable devices for simulating quantum information processes such as heralded coined quantum walks. Quantum walks are important for quantum algorithms, universal quantum computing circuits, quantum transport in complex systems, and demonstrating intriguing nonlinear dynamical quantum phenomena. We introduce fully controllable polarization-independent phase shifters in optical pathes in order to realize site-dependent phase defects. The effectiveness of our interferometer is demonstrated through realizing single-photon quantum-walk dynamics in one dimension. By applying site-dependent phase defects, the translational symmetry of an ideal standard quantum walk is broken resulting in localization effect in a quantum walk architecture. The walk is realized for different site-dependent phase defects and coin settings, indicating the strength of localization signature depends on the level of phase due to site-dependent phase defects and coin settings and opening the way for the implementation of a quantum-walk-based algorithm.

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.

Epitaxial growth of ordered and disordered granular sphere packings

NASA Astrophysics Data System (ADS)

Panaitescu, Andreea; Kudrolli, Arshad

2014-09-01

We demonstrate that epitaxy can be used to obtain a wide range of ordered to disordered granular packings by simply changing the deposition flux. We show that a defect-free face-centered-cubic (fcc) monocrystal can be obtained by depositing athermal granular spheres randomly into a container with a templated surface in a gravitational field without direct manipulation. This packing corresponds to the maximum sphere packing fraction and is obtained when the substrate is templated corresponding to the (100) plane of a fcc crystal and the container side is an integer multiple of the sphere diameter. We find that the maximum sphere packing is obtained when the deposited grains come to rest, one at a time, without damaging the substrate. A transition to a disordered packing is observed when the flux is increased. Using micro x-ray computed tomography, we find that defects nucleate at the boundaries of the container in which the packing is grown as grains cooperatively come to rest above their local potential minimum. This leads to a transition from ordered to disordered loose packings that grow in the form of an inverted cone, with the apex located at the defect nucleation site. We capture the observed decrease in order using a minimal model in which a defect leads to growth of further defects in the neighboring sites in the layer above with a probability that increases with the deposition flux.

Epitaxial growth of ordered and disordered granular sphere packings.

PubMed

Panaitescu, Andreea; Kudrolli, Arshad

2014-09-01

We demonstrate that epitaxy can be used to obtain a wide range of ordered to disordered granular packings by simply changing the deposition flux. We show that a defect-free face-centered-cubic (fcc) monocrystal can be obtained by depositing athermal granular spheres randomly into a container with a templated surface in a gravitational field without direct manipulation. This packing corresponds to the maximum sphere packing fraction and is obtained when the substrate is templated corresponding to the (100) plane of a fcc crystal and the container side is an integer multiple of the sphere diameter. We find that the maximum sphere packing is obtained when the deposited grains come to rest, one at a time, without damaging the substrate. A transition to a disordered packing is observed when the flux is increased. Using micro x-ray computed tomography, we find that defects nucleate at the boundaries of the container in which the packing is grown as grains cooperatively come to rest above their local potential minimum. This leads to a transition from ordered to disordered loose packings that grow in the form of an inverted cone, with the apex located at the defect nucleation site. We capture the observed decrease in order using a minimal model in which a defect leads to growth of further defects in the neighboring sites in the layer above with a probability that increases with the deposition flux.

Defect reduction for semiconductor memory applications using jet and flash imprint lithography

NASA Astrophysics Data System (ADS)

Ye, Zhengmao; Luo, Kang; Irving, J. W.; Lu, Xiaoming; Zhang, Wei; Fletcher, Brian; Liu, Weijun; Xu, Frank; LaBrake, Dwayne; Resnick, Douglas; Sreenivasan, S. V.

2013-03-01

Imprint lithography has been shown to be an effective technique for replication of nano-scale features. Jet and Flash Imprint Lithography (J-FIL) involves the field-by-field deposition and exposure of a low viscosity resist deposited by jetting technology onto the substrate. The patterned mask is lowered into the fluid which then quickly flows into the relief patterns in the mask by capillary action. Following this filling step, the resist is crosslinked under UV radiation, and then the mask is removed leaving a patterned resist on the substrate. Acceptance of imprint lithography for manufacturing will require demonstration that it can attain defect levels commensurate with the defect specifications of high end memory devices. Typical defectivity targets are on the order of 0.10/cm2. In previous studies, we have focused on defects such as random non-fill defects occurring during the resist filling process and repeater defects caused by interactions with particles on the substrate. In this work, we attempted to identify the critical imprint defect types using a mask with NAND Flash-like patterns at dimensions as small as 26nm. The two key defect types identified were line break defects induced by small particulates and airborne contaminants which result in local adhesion failure. After identification, the root cause of the defect was determined, and corrective measures were taken to either eliminate or reduce the defect source. As a result, we have been able to reduce defectivity levels by more than three orders of magnitude in only 12 months and are now achieving defectivity adders as small as 2 adders per lot of wafers.

Effect of point defects on the amorphization of metallic alloys during ion implantation. [NiTi

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

Pedraza, D.F.; Mansur, L.K.

1985-01-01

A theoretical model of radiation-induced amorphization of ordered intermetallic compounds is developed. The mechanism is proposed to be the buildup of lattice defects to very high concentrations, which destabilizes the crystalline structure. Because simple point defects do not normally reach such levels during irradiation, a new defect complex containing a vacancy and an interstitial is hypothesized. Crucial properties of the complex are that the interstitial sees a local chemical environment similar to that of an atom in the ordered lattice, that the formation of the complex prevents mutual recombination and that the complex is immobile. The evolution of a disordermore » based on complexes is not accompanied by like point defect aggregation. The latter leads to the development of a sink microstructure in alloys that do not become amorphous. For electron irradiation, the complexes form by diffusional encounters. For ion irradiation, complexes are also formed directly in cascades. The possibility of direct amorphization in cascades is also included. Calculations for the compound NiTi show reasonable agreement with measured amorphization kinetics.« less

Structural Analysis of Corneal Nano-nipple Arrays in Nymphalidae Butterflies

NASA Astrophysics Data System (ADS)

Lee, Ken Chun-Yi

This study is concerned with the two-dimensional arrangement of corneal nano-nipples on the eyes of two Nymphalid butterflies. While the nano-nipples are predominantly in close-packed ordered arrangements, there are coordination defects known as 5-7 defects that disrupt the local translational symmetry and generate a number of secondary defects. Most often 5-7 defects align in rows to separate nipple domains with different orientations much like grain boundaries in crystalline materials. Surprisingly, the majority of 5-7 defect rows are special low-sigma; boundaries that occur infrequently in random crystalline materials. Such prevalence of low-sigma; boundaries suggests that they may serve specific purposes. Based on the superlattices associated with the observed low-sigma; boundaries, it is tentatively suggested that they could lead to diffraction effects for infrared light.

Deciphering chemical order/disorder and material properties at the single-atom level

DOE PAGES

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

A polycrystal plasticity model of strain localization in irradiated iron

NASA Astrophysics Data System (ADS)

Barton, Nathan R.; Arsenlis, Athanasios; Marian, Jaime

2013-02-01

At low to intermediate homologous temperatures, the degradation of structural materials performance in nuclear environments is associated with high number densities of nanometric defects produced in irradiation cascades. In polycrystalline ferritic materials, self-interstitial dislocations loops are a principal signature of irradiation damage, leading to a mechanical response characterized by increased yield strengths, decreased total strain to failure, and decreased work hardening as compared to the unirradiated behavior. Above a critical defect concentration, the material deforms by plastic flow localization, giving rise to strain softening in terms of the engineering stress-strain response. Flow localization manifests itself in the form of defect-depleted crystallographic channels, through which all dislocation activity is concentrated. In this paper, we describe the formulation of a crystal plasticity model for pure Fe embedded in a finite element polycrystal simulator and present results of uniaxial tensile deformation tests up to 10% strain. We use a tensorial damage descriptor variable to capture the evolution of the irradiation damage loop subpopulation during deformation. The model is parameterized with detailed dislocation dynamics simulations of tensile tests up to 1.5% deformation of systems containing various initial densities of irradiation defects. The coarse-grained simulations are shown to capture the essential details of the experimental stress response observed in ferritic alloys and steels. Our methodology provides an effective linkage between the defect scale, of the order of one nanometer, and the continuum scale involving multiple grain orientations.

Superdiffusion, large-scale synchronization, and topological defects

NASA Astrophysics Data System (ADS)

Großmann, Robert; Peruani, Fernando; Bär, Markus

2016-04-01

We study an ensemble of random walkers carrying internal noisy phase oscillators which are synchronized among the walkers by local interactions. Due to individual mobility, the interaction partners of every walker change randomly, hereby introducing an additional, independent source of fluctuations, thus constituting the intrinsic nonequilibrium nature of the temporal dynamics. We employ this paradigmatic model system to discuss how the emergence of order is affected by the motion of individual entities. In particular, we consider both normal diffusive motion and superdiffusion. A non-Hamiltonian field theory including multiplicative noise terms is derived which describes the nonequilibrium dynamics at the macroscale. This theory reveals a defect-mediated transition from incoherence to quasi-long-range order for normal diffusion of oscillators in two dimensions, implying a power-law dependence of all synchronization properties on system size. In contrast, superdiffusive transport suppresses the emergence of topological defects, thereby inducing a continuous synchronization transition to long-range order in two dimensions. These results are consistent with particle-based simulations.

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5Co 0.5, Ni 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2

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

Zhao, Shijun; Stocks, George Malcolm; Zhang, Yanwen

2016-08-03

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. In this study, using ab initio calculations based on density functional theory and special quasirandom structure, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni 0.5Co 0.5, Nimore » 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atomic size in the structure, which further determines the elemental diffusion properties. In conclusion, different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.« less

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2.

PubMed

Zhao, Shijun; Stocks, G Malcolm; Zhang, Yanwen

2016-09-14

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. Using ab initio calculations based on density functional theory and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2, and Ni0.8Cr0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atoms in the structure, which further determines the elemental diffusion properties. Different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.

Band gap modulation in magnetically doped low-defect thin films of (Bi1-xSbx)2 Te3 with minimized bulk carrier concentration

NASA Astrophysics Data System (ADS)

Maximenko, Yulia; Scipioni, Kane; Wang, Zhenyu; Katmis, Ferhat; Steiner, Charles; Weis, Adam; van Harlingen, Dale; Madhavan, Vidya

Topological insulators Bi2Te3 and Sb2Te3 are promising materials for electronics, but both are naturally prone to vacancies and anti-site defects that move the Fermi energy onto the bulk bands. Fabricating (Bi1-xSbx)2 Te3 (BST) with the tuned x minimizes point defects and unmasks topological surface states by reducing bulk carriers. BST thin films have shown topological surface states and quantum anomalous Hall effect. However, different studies reported variable Sb:Bi ratios used to grow an undoped BST film. Here, we develop a reliable way to grow defect-free subnanometer-flat BST thin films having the Fermi energy tuned to the Dirac point. High-resolution scanning tunneling microscopy (STM) and Landau level spectroscopy prove the importance of crystallinity and surface roughness-not only Sb:Bi ratio-for the final bulk carrier concentration. The BST thin films were doped with Cr and studied with STM with atomic resolution. Counterintuitively, Cr density is anticorrelated with the local band gap due to Cr's antiferromagnetic order. We analyze the correlations and report the relevant band gap values. Predictably, high external magnetic field compromises antiferromagnetic order, and the local band gap increases. US DOE DE-SC0014335; Moore Found. GBMF4860; F. Seitz MRL.

Segregation of liquid crystal mixtures in topological defects

DOE PAGES

Rahimi, Mohammad; Ramezani-Dakhel, Hadi; Zhang, Rui; ...

2017-04-28

The structure and physical properties of liquid crystal (LC) mixtures are a function of composition, and small changes can have pronounced effects on observables, such as phase-transition temperatures. Traditionally, LC mixtures have been assumed to be compositionally homogenous. The results of chemically detailed simulations presented here show that this is not the case; pronounced deviations of the local order from that observed in the bulk at defects and interfaces lead to significant compositional segregation effects. More specifically, two disclination lines are stabilized in this work by introducing into a nematic liquid crystal mixture a cylindrical body that exhibits perpendicular anchoring.more » Here, it is found that the local composition deviates considerably from that of the bulk at the interface with the cylinder and in the defects, thereby suggesting new assembly and synthetic strategies that may capitalize on the unusual molecular environment provided by liquid crystal mixtures.« less

The role of disclinations on the organization and conductivity in liquid crystal nanocomposites

NASA Astrophysics Data System (ADS)

Martinez-Miranda, Luz J.; Romero-Hasler, P.; Meneses-Franco, A.; Soto-Bustamante, E. A.

The structure of TiO2 nanoparticles in a liquid crystal nanocomposite was found to be an oblique structure due to the alignment of the TiO2 with respect to the liquid crystals. This order is anisotropic due to the ordering of the liquid crystals. The particles are highly localized in the nanocomposite, which has consequences in the electrical percolation. We want to obtain an understanding of how the nanoparticles organize in this highly localized fashion. The nanoparticles and the liquid crystals phase separate, with the nanoparticles accumulating in the defects exhibited by the liquid crystal even after being sonicated initially. The liquid crystal is polymerized by the process of electropolymerization that takes place in the isotropic phase of the monomers. The nanoparticles are free to move away from the defects where they phase separate since the defects disappear in the isotropic. We believe the polymerization imposes a limitation in the movement of the nanoparticles. The combination of the accumulation in the disclinations, the polymerization in the isotropic and the formation of the liquid crystal unit side chains can affect the conductivity of the nanocomposite. NSF-OISE-1157589; Fondecyt Project 1130187; CONICYT scholarships 21130413 and 21090713.

Phase behavior of charged colloids on spherical surfaces

NASA Astrophysics Data System (ADS)

Kelleher, Colm; Guerra, Rodrigo; Chaikin, Paul

For a broad class of 2D materials, the transition from isotropic fluid to crystalline solid is described by the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson and Young. According to this theory, long-range order is achieved via elimination of the topological defects which proliferate in the fluid phase. However, many natural and man-made 2D systems posses spatial curvature and/or non-trivial topology, which require the presence of defects, even at T = 0 . In principle, the presence of these defects could profoundly affect the phase behavior of such a system. In this presentation, we describe experiments and simulations we have performed on repulsive particles which are bound to the surface of a sphere. We observe spatial structures and inhomogeneous dynamics that cannot be captured by the measures traditionally used to describe flat-space phase behavior. We show that ordering is achieved by a novel mechanism: sequestration of topological defects into freely-terminating grain boundaries (``scars''), and simultaneous spatial organization of the scars themselves on the vertices of an icosahedron. The emergence of icosahedral order coincides with the localization of mobility into isolated ``lakes'' of fluid or glassy particles, situated at the icosahedron vertices.

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

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less

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

Xu, Yishuai; Chiu, Janet; Miao, Lin

Three-dimensional topological insulators are bulk insulators with Z 2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond themore » localized regime usually associated with impurity bands. Lastly, at native densities in the model Bi 2X 3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport.« less

Chemical conditions inside occluded regions on corroding aircraft aluminum alloys.

PubMed

Lewis, K S; Yuan, J; Kelly, R G

1999-07-30

Corrosion of aluminum alloy structures costs the US Air Force in the order of US$1 x 10(9) annually. Corrosion develops in areas of overlap such as aircraft lap-splice joints and under protective organic coatings. Capillary electrophoresis (CE) has been used to determine the local chemistries at these corrosion sites of solutions that were extracted using a microsampling system. Analysis of the local solution within lap-splice joints from aircraft has been performed in two ways: rehydration of corrosion products and direct microsampling. The solutions collected were analyzed with CE to quantitatively determine the species present during corrosion. The most common ions detected were Cl-, NO2-, NO3-, HCO3-, K+, Al3+, Ca2+, Na+ and Mg2+. Studies of the solution chemistry under local coating defects are required to understand coating failure and develop more durable coatings. A microsampling system and micro pH sensor were developed to extract solution from and measure pH in defects with diameters as small as 170 microns. Actively corroding defects contained high concentrations of Cl-, Al3+, Mg2+, Mn2+ and Cu2+ whereas only trace levels of Mg2+ were found in repassivated defects. The effects of these species on initiation and propagation of corrosion are discussed.

Identifying and counting point defects in carbon nanotubes.

PubMed

Fan, Yuwei; Goldsmith, Brett R; Collins, Philip G

2005-12-01

The prevailing conception of carbon nanotubes and particularly single-walled carbon nanotubes (SWNTs) continues to be one of perfectly crystalline wires. Here, we demonstrate a selective electrochemical method that labels point defects and makes them easily visible for quantitative analysis. High-quality SWNTs are confirmed to contain one defect per 4 microm on average, with a distribution weighted towards areas of SWNT curvature. Although this defect density compares favourably to high-quality, silicon single-crystals, the presence of a single defect can have tremendous electronic effects in one-dimensional conductors such as SWNTs. We demonstrate a one-to-one correspondence between chemically active point defects and sites of local electronic sensitivity in SWNT circuits, confirming the expectation that individual defects may be critical to understanding and controlling variability, noise and chemical sensitivity in SWNT electronic devices. By varying the SWNT synthesis technique, we further show that the defect spacing can be varied over orders of magnitude. The ability to detect and analyse point defects, especially at very low concentrations, indicates the promise of this technique for quantitative process analysis, especially in nanoelectronics development.

Phase behavior of charged hydrophobic colloids on flat and spherical surfaces

NASA Astrophysics Data System (ADS)

Kelleher, Colm P.

For a broad class of two-dimensional (2D) materials, the transition from isotropic fluid to crystalline solid is described by the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson and Young (KTHNY). According to this theory, long-range order is achieved via elimination of the topological defects which proliferate in the fluid phase. However, many natural and man-made 2D systems posses spatial curvature and/or non-trivial topology, which require the presence of topological defects, even at T=0. In principle, the presence of these defects could profoundly affect the phase behavior of such a system. In this thesis, we develop and characterize an experimental system of charged colloidal particles that bind electrostatically to the interface between an oil and an aqueous phase. Depending on how we prepare the sample, this fluid interface may be flat, spherical, or have a more complicated geometry. Focusing on the cases where the interface is flat or spherical, we measure the interactions between the particles, and probe various aspects of their phase behavior. On flat interfaces, this phase behavior is well-described by KTHNY theory. In spherical geometries, however, we observe spatial structures and inhomogeneous dynamics that cannot be captured by the measures traditionally used to describe flat-space phase behavior. We show that, in the spherical system, ordering is achieved by a novel mechanism: sequestration of topological defects into freely-terminating grain boundaries ("scars"), and simultaneous spatial organization of the scars themselves on the vertices of an icosahedron. The emergence of icosahedral order coincides with the localization of mobility into isolated "lakes" of fluid or glassy particles, situated at the icosahedron vertices. These lakes are embedded in a rigid, connected "continent" of locally crystalline particles.

Modification of defects and potential fluctuations in slow-cooled and quenched Cu2ZnSnSe4 single crystals

NASA Astrophysics Data System (ADS)

Bishop, Douglas M.; McCandless, Brian; Gershon, Talia; Lloyd, Michael A.; Haight, Richard; Birkmire, Robert

2017-02-01

Recent literature reports have shown the ability to manipulate Cu-Zn cation ordering for Cu2ZnSnSe4 (CZTSe) via low temperature treatments. Theoretical arguments suggest that one of the major roadblocks to higher VOC—significant band tailing—could be improved with increased cation order; however, few direct measurements have been reported and significant device improvements have not yet been realized. This report investigates electrical properties, defects, and devices from quenched and slow-cooled single crystals of CZTSe. The extent of disorder was characterized by Raman spectroscopy as well as x-ray diffraction, where the change in Cu-Zn order can be detected by a changing c/a ratio. Quenched samples show higher acceptor concentrations, lower hole mobilities, and a lower-energy photoluminescence (PL) peak than crystals cooled at slower rates, consistent with a reduction in the bandgap. In addition, samples quenched at the highest temperatures showed lower PL yield consistent with higher quantities of deep defects. Devices fabricated using slow-cooled CZTSe single crystals showed improved efficiencies, most notably with increased VOC; however, low temperature intensity-dependent photoluminescence measurements continue to indicate the existence of potential fluctuations. We discuss the possibility that potential fluctuations in slow-cooled samples may be related to the inability to achieve a long range order of the Cu-Zn sub-lattice resulting in local regions of high and low levels of cation order, and consequent local variations in the bandgap. The presence of significant potential fluctuations, even after the slow-cooling step, suggests the difficulty in eliminating band-tailing in this system, and thus, additional approaches may be needed for significant reduction of the VOC deficit.

Scanning tunneling microscopy image simulation of the rutile (110) TiO2 surface with hybrid functionals and the localized basis set approach

NASA Astrophysics Data System (ADS)

Di Valentin, Cristiana

2007-10-01

In this work we present a simplified procedure to use hybrid functionals and localized atomic basis sets to simulate scanning tunneling microscopy (STM) images of stoichiometric, reduced and hydroxylated rutile (110) TiO2 surface. For the two defective systems it is necessary to introduce some exact Hartree-Fock exchange in the exchange functional in order to correctly describe the details of the electronic structure. Results are compared to the standard density functional theory and planewave basis set approach. Both methods have advantages and drawbacks that are analyzed in detail. In particular, for the localized basis set approach, it is necessary to introduce a number of Gaussian function in the vacuum region above the surface in order to correctly describe the exponential decay of the integrated local density of states from the surface. In the planewave periodic approach, a thick vacuum region is required to achieve correct results. Simulated STM images are obtained for both the reduced and hydroxylated surface which nicely compare with experimental findings. A direct comparison of the two defects as displayed in the simulated STM images indicates that the OH groups should appear brighter than oxygen vacancies in perfect agreement with the experimental STM data.

Influence of Localized Plasticity on IASCC Sensitivity of Austenitic Stainless Steels under PWR Primary Water

NASA Astrophysics Data System (ADS)

Cissé, Sarata; Tanguy, Benoit; Laffont, Lydia; Lafont, Marie-Christine; Guerre, Catherine; Andrieu, Eric

The sensibility of precipitation-strengthened A286 austenitic stainless steel to Stress Corrosion Cracking (SCC) is studied by means of Slow Strain Rate Tests (SSRT). First, alloy cold working by Low Cycle Fatigue (LCF) is investigated. Fatigue tests under plastic strain control are performed at different strain levels (Δ ɛp/2=0.2%, 0.5% and 0.8%) in order to establish correlation between stress softening and deformation microstructure resulting from LCF tests. Deformed microstructures have been identified through TEM investigations. Three states of cyclic behaviour for precipitation-strengthened A286 have been identified: hardening, cyclic softening and finally saturation of softening. It is shown that the A286 alloy cyclic softening is due to microstructural features such as defects — free deformation bands resulting from dislocations motion along family plans <111>, that swept defects or γ' precipitates and lead to deformation localization. In order to quantify effects of plastic localized deformation on intergranular stress corrosion cracking (IGSCC) of the A286 alloy in PWR primary water, slow strain rate tests are conducted. For each cycling conditions, two specimens at a similar stress level are tested: the first containing free precipitate deformation bands, the other not significant of a localized deformation state. SSRT tests are still in progress.

Disorder enabled band structure engineering of a topological insulator surface

DOE PAGES

Xu, Yishuai; Chiu, Janet; Miao, Lin; ...

2017-02-03

Three-dimensional topological insulators are bulk insulators with Z 2 topological electronic order that gives rise to conducting light-like surface states. These surface electrons are exceptionally resistant to localization by non-magnetic disorder, and have been adopted as the basis for a wide range of proposals to achieve new quasiparticle species and device functionality. Recent studies have yielded a surprise by showing that in spite of resisting localization, topological insulator surface electrons can be reshaped by defects into distinctive resonance states. Here we use numerical simulations and scanning tunnelling microscopy data to show that these resonance states have significance well beyond themore » localized regime usually associated with impurity bands. Lastly, at native densities in the model Bi 2X 3 (X=Bi, Te) compounds, defect resonance states are predicted to generate a new quantum basis for an emergent electron gas that supports diffusive electrical transport.« less

Approach for removing ghost-images in remote field eddy current testing of ferromagnetic pipes

NASA Astrophysics Data System (ADS)

Luo, Q. W.; Shi, Y. B.; Wang, Z. G.; Zhang, W.; Zhang, Y.

2016-10-01

In the non-destructive testing of ferromagnetic pipes based on remote field eddy currents, an array of sensing coils is often used to detect local defects. While testing, the image that is obtained by sensing coils exhibits a ghost-image, which originates from both the transmitter and sensing coils passing over the same defects in pipes. Ghost-images are caused by transmitters and lead to undesirable assessments of defects. In order to remove ghost-images, two pickup coils are coaxially set to each other in remote field. Due to the time delay between differential signals tested by the two pickup coils, a Wiener deconvolution filter is used to identify the artificial peaks that lead to ghost-images. Because the sensing coils and two pickup coils all receive the same signal from one transmitter, they all contain the same artificial peaks. By subtracting the artificial peak values obtained by the two pickup coils from the imaging data, the ghost-image caused by the transmitter is eliminated. Finally, a relatively highly accurate image of local defects is obtained by these sensing coils. With proposed method, there is no need to subtract the average value of the sensing coils, and it is sensitive to ringed defects.

Approach for removing ghost-images in remote field eddy current testing of ferromagnetic pipes.

PubMed

Luo, Q W; Shi, Y B; Wang, Z G; Zhang, W; Zhang, Y

2016-10-01

In the non-destructive testing of ferromagnetic pipes based on remote field eddy currents, an array of sensing coils is often used to detect local defects. While testing, the image that is obtained by sensing coils exhibits a ghost-image, which originates from both the transmitter and sensing coils passing over the same defects in pipes. Ghost-images are caused by transmitters and lead to undesirable assessments of defects. In order to remove ghost-images, two pickup coils are coaxially set to each other in remote field. Due to the time delay between differential signals tested by the two pickup coils, a Wiener deconvolution filter is used to identify the artificial peaks that lead to ghost-images. Because the sensing coils and two pickup coils all receive the same signal from one transmitter, they all contain the same artificial peaks. By subtracting the artificial peak values obtained by the two pickup coils from the imaging data, the ghost-image caused by the transmitter is eliminated. Finally, a relatively highly accurate image of local defects is obtained by these sensing coils. With proposed method, there is no need to subtract the average value of the sensing coils, and it is sensitive to ringed defects.

Multi-frequency Defect Selective Imaging via Nonlinear Ultrasound

NASA Astrophysics Data System (ADS)

Solodov, Igor; Busse, Gerd

The concept of defect-selective ultrasonic nonlinear imaging is based on visualization of strongly nonlinear inclusions in the form of localized cracked defects. For intense excitation, the ultrasonic response of defects is affected by mechanical constraint between their fragments that makes their vibrations extremely nonlinear. The cracked flaws, therefore, efficiently generate multiple new frequencies, which can be used as a nonlinear "tag" to detect and image them. In this paper, the methodologies of nonlinear scanning laser vibrometry (NSLV) and nonlinear air-coupled emission (NACE) are applied for nonlinear imaging of various defects in hi-tech and constructional materials. A broad database obtained demonstrates evident advantages of the nonlinear approach over its linear counterpart. The higher-order nonlinear frequencies provide increase in signal-to-noise ratio and enhance the contrast of imaging. Unlike conventional ultrasonic instruments, the nonlinear approach yields abundant multi-frequency information on defect location. The application of image recognition and processing algorithms is described and shown to improve reliability and quality of ultrasonic imaging.

Reconstruction of the midface and maxilla.

PubMed

Dalgorf, Dustin; Higgins, Kevin

2008-08-01

To review the current classification systems and reconstructive options available for restoration of maxillectomy defects. Defects involving the midface can have a great functional and aesthetic impact on the patient. Adequate restoration of the complex three-dimensional maxillary structure is required to replace form and function of the native tissue. An in-depth discussion of appropriate recipient vessel selection and reconstructive options are included in this article. The superficial temporal vessel system is presented as a reliable anastomosis site for restoration of midfacial defects. In addition, the complications of vein grafting, arteriovenous fistula loops and alternative recipient vessels sites are addressed to manage the challenge of the vessel-depleted neck. The current indications, advantages and disadvantages of local, regional and free-flap reconstructive options available for maxillectomy defects are highlighted in order to aid the surgeon in appropriate flap selection. A myriad of reconstructive options are available to restore maxillectomy defects. The surgeon must consider each defect and the needs of the individual patient when choosing the best suited reconstructive technique.

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

Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3

NASA Astrophysics Data System (ADS)

Buckeridge, J.; Taylor, F. H.; Catlow, C. R. A.

2016-04-01

Complex perovskite oxides are promising materials for cathode layers in solid oxide fuel cells. Such materials have intricate electronic, magnetic, and crystalline structures that prove challenging to model accurately. We analyze a wide range of standard density functional theory approaches to modeling a highly promising system, the perovskite LaCoO3, focusing on optimizing the Hubbard U parameter to treat the self-interaction of the B-site cation's d states, in order to determine the most appropriate method to study defect formation and the effect of spin on local structure. By calculating structural and electronic properties for different magnetic states we determine that U =4 eV for Co in LaCoO3 agrees best with available experiments. We demonstrate that the generalized gradient approximation (PBEsol +U ) is most appropriate for studying structure versus spin state, while the local density approximation (LDA +U ) is most appropriate for determining accurate energetics for defect properties.

Did BICEP2 see vector modes? First B-mode constraints on cosmic defects.

PubMed

Moss, Adam; Pogosian, Levon

2014-05-02

Scaling networks of cosmic defects, such as strings and textures, actively generate scalar, vector, and tensor metric perturbations throughout the history of the Universe. In particular, vector modes sourced by defects are an efficient source of the cosmic microwave background B-mode polarization. We use the recently released BICEP2 and POLARBEAR B-mode polarization spectra to constrain properties of a wide range of different types of cosmic strings networks. We find that in order for strings to provide a satisfactory fit on their own, the effective interstring distance needs to be extremely large--spectra that fit the data best are more representative of global strings and textures. When a local string contribution is considered together with the inflationary B-mode spectrum, the fit is improved. We discuss implications of these results for theories that predict cosmic defects.

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

PubMed

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

2015-03-24

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

Reconfigurable and writable magnetic charge crystals

DOEpatents

Wang, Yong-Lei; Xiao, Zhi-Li; Kwok, Wai-Kwong

2017-07-18

Artificial ices enable the study of geometrical frustration by design and through direct observation. It has, however, proven difficult to achieve tailored long-range ordering of their diverse configurations, limiting both fundamental and applied research directions. An artificial spin structure design is described that produces a magnetic charge ice with tunable long-range ordering of eight different configurations. A technique is also developed to precisely manipulate the local magnetic charge states and demonstrate write-read-erase multi-functionality at room temperature. This globally reconfigurable and locally writable magnetic charge ice provides a setting for designing magnetic monopole defects, tailoring magnetics and controlling the properties of other two-dimensional materials.

Rewritable artificial magnetic charge ice

DOE PAGES

Wang, Yong-Lei; Xiao, Zhi-Li; Snezhko, Alexey; ...

2016-05-20

Artificial ices enable the study of geometrical frustration by design and through direct observation. However, it has proven difficult to achieve tailored long-range ordering of their diverse configurations, limiting both fundamental and applied research directions. Here, we designed an artificial spin structure that produces a magnetic charge ice with tunable long-range ordering of eight different configurations. We also developed a technique to precisely manipulate the local magnetic charge states and demonstrate write-read-erase multifunctionality at room temperature. This globally reconfigurable and locally writable magnetic charge ice could provide a setting for designing magnetic monopole defects, tailoring magnonics, and controlling the propertiesmore » of other two-dimensional materials.« less

Rewritable artificial magnetic charge ice

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

Wang, Yong-Lei; Xiao, Zhi-Li; Snezhko, Alexey

Artificial ices enable the study of geometrical frustration by design and through direct observation. However, it has proven difficult to achieve tailored long-range ordering of their diverse configurations, limiting both fundamental and applied research directions. Here, we designed an artificial spin structure that produces a magnetic charge ice with tunable long-range ordering of eight different configurations. We also developed a technique to precisely manipulate the local magnetic charge states and demonstrate write-read-erase multifunctionality at room temperature. This globally reconfigurable and locally writable magnetic charge ice could provide a setting for designing magnetic monopole defects, tailoring magnonics, and controlling the propertiesmore » of other two-dimensional materials.« less

Defect Characterization in SiGe/SOI Epitaxial Semiconductors by Positron Annihilation

PubMed Central

2010-01-01

The potential of positron annihilation spectroscopy (PAS) for defect characterization at the atomic scale in semiconductors has been demonstrated in thin multilayer structures of SiGe (50 nm) grown on UTB (ultra-thin body) SOI (silicon-on-insulator). A slow positron beam was used to probe the defect profile. The SiO2/Si interface in the UTB-SOI was well characterized, and a good estimation of its depth has been obtained. The chemical analysis indicates that the interface does not contain defects, but only strongly localized charged centers. In order to promote the relaxation, the samples have been submitted to a post-growth annealing treatment in vacuum. After this treatment, it was possible to observe the modifications of the defect structure of the relaxed film. Chemical analysis of the SiGe layers suggests a prevalent trapping site surrounded by germanium atoms, presumably Si vacancies associated with misfit dislocations and threading dislocations in the SiGe films. PMID:21170391

Ionization-induced annealing of pre-existing defects in silicon carbide

DOE PAGES

Zhang, Yanwen; Sachan, Ritesh; Pakarinen, Olli H.; ...

2015-08-12

A long-standing objective in materials research is to find innovative ways to remove preexisting damage and heal fabrication defects or environmentally induced defects in materials. Silicon carbide (SiC) is a fascinating wide-band gap semiconductor for high-temperature, high-power, high-frequency applications. Its high corrosion and radiation resistance makes it a key refractory/structural material with great potential for extremely harsh radiation environments. Here we show that the energy transferred to the electron system of SiC by energetic ions via inelastic ionization processes results in a highly localized thermal spike that can effectively heal preexisting defects and restore the structural order. This work revealsmore » an innovative self-healing process using highly ionizing ions, and it describes a critical aspect to be considered in modeling SiC performance as either a functional or a structural material for device applications or high-radiation environments.« less

Autonomous Appliance Scheduling System for Residential Energy Management in the Smart Grid

NASA Astrophysics Data System (ADS)

Martinez-Pabon, Madeline D.

Topological defects (TDs) appear almost unavoidably in continuous symmetry breaking phase transitions. The topological origin makes their key features independent of systems' microscopic details; therefore TDs display many universalities. Because of their strong impact on numerous material properties and their significant role in several technological applications it is of strong interest to find simple and robust mechanisms controlling the positioning and local number of TDs. There are strong evidences that in physics the fields are fundamental entities of nature and not particles. If this is the case then topological defects (TDs) might play the role of fundamental particles. An adequate testing ground to study and gain fundamental understanding of TDs are nematic liquid crystals. We present a numerical study of TDs within effectively two dimensional closed soft films exhibiting in-plane orientational ordering. Popular examples of such class of systems are liquid crystalline shells and various biological membranes. We analyze the impact of extrinsic and intrinsic curvature on positions of topological defects (TDs) in two-dimensional (2D) nematic films. We demonstrate that both these curvature contributions are commonly present and are expected to be weighted by comparable elastic constants. A simple Landau-de Gennes approach in terms of tensor nematic order parameter is used to numerically demonstrate impact of the curvatures on position of TDs on 2D ellipsoidal nematic shells. In particular, in oblate ellipsoids the extrinsic and intrinsic elastic terms enforce conflicting tendencies to positions of TDs. We introduce the Effective Topological Charge Cancellation mechanism controlling localised positional assembling tendency of TDs and the formation of pairs (defect,antidefect) on curved surfaces and/or presence of relevant "impurities" (e.g. nanoparticles). For this purpose, we define an effective topological charge Deltameff consisting of real, virtual and smeared curvature topological charges within a surface patch Deltazeta identified by the typical spatially averaged local Gaussian curvature K. We demonstrate a strong tendency enforcing Deltam eff ≠ 0 on surfaces composed of Deltazeta exhibiting significantly different values of spatially averaged K. For non-zero Deltameff, we estimate a critical depinning threshold to form pairs (defect,antidefect) using the electrostatic analogy. Effectively two-dimensional (2D) closed films exhibiting in-plane orientational ordering (ordered shells) might be an instrumental for the realization of scaled crystals. In them ordered shells are expected to play the role of atoms. Furthermore, topological defects (TDs) within them would determine their valence. Namely, bonding among shells within an isotropic liquid matrix could be established via appropriate nano-binders (i.e. linkers) which tend to be attached to the cores of TDs exploiting the defect core replacement mechanism. Consequently, by varying configurations of TDs one could nucleate growth of scaled crystals displaying different symmetries. For this purpose it is of interest to develop simple and robust mechanism via which one could control position and number of TDs in such atoms. In this thesis we use a minimal mesoscopic model, where variational parameters are the 2D curvature tensor and the 2D orientational tensor order parameter. We demonstrate numerically effciency of the effective topological defect cancellation mechanism to predict positional assembling of TDs in ordered films characterized by spatially nonhomogeneous Gaussian curvature. Furthermore, we show how one could effciently switch among qualitatively different structures by using a relative volume v of ordered shells, which represents a relatively simple naturally accessible control parameter. Red blood cells (erythrocytes) are present in almost all vertebrates and their main function is the transport oxygen to the body tissues. Erythrocyte shape plays an important role in its functionality. In almost all mammals in normal conditions erythrocytes adopt a disk-like (discocyte) shape which optimizes their flow properties in large vessels and capillaries. The experimental values of the relative volume v of stable discocyte shapes range in a relatively broad window. However, these experimental observations are not fully supported by existing theoretical membrane-shape models. In this thesis we developed theoretical model of erythrocyte membrane by using a hybrid Helfrich-Landau type mesoscopic approach, taking into account in-plane membrane ordering. We demonstrate that the derived extrinsic membrane energy term, which strongly depends on the local orientations of the molecules, is essential for the predicted broadening of the range of the relative volumes corresponding to the stable discocyte shapes, which is otherwise very narrow if only intrinsic curvature energy term dominates. A fingerprint of the importance of the extrinsic/deviatoric curvature energy term are the locations of topological defects (TDs) within a curved membrane.

Thermally induced coloration of KBr at high pressures

NASA Astrophysics Data System (ADS)

Arveson, Sarah M.; Kiefer, Boris; Deng, Jie; Liu, Zhenxian; Lee, Kanani K. M.

2018-03-01

Laser-heated diamond-anvil cell (LHDAC) experiments reveal electronic changes in KBr at pressures between ˜13 -81 GPa when heated to high temperatures that cause runaway heating to temperatures in excess of ˜5000 K . The drastic changes in absorption behavior of KBr are interpreted as rapid formation of high-pressure F-center defects. The defects are localized to the heated region and thus do not change the long-range crystalline order of KBr. The results have significant consequences for temperature measurements in LHDAC experiments and extend the persistence of F centers in alkali halides to at least 81 GPa.

The Landau-de Gennes approach revisited: A minimal self-consistent microscopic theory for spatially inhomogeneous nematic liquid crystals

NASA Astrophysics Data System (ADS)

Gârlea, Ioana C.; Mulder, Bela M.

2017-12-01

We design a novel microscopic mean-field theory of inhomogeneous nematic liquid crystals formulated entirely in terms of the tensor order parameter field. It combines the virtues of the Landau-de Gennes approach in allowing both the direction and magnitude of the local order to vary, with a self-consistent treatment of the local free-energy valid beyond the small order parameter limit. As a proof of principle, we apply this theory to the well-studied problem of a colloid dispersed in a nematic liquid crystal by including a tunable wall coupling term. For the two-dimensional case, we investigate the organization of the liquid crystal and the position of the point defects as a function of the strength of the coupling constant.

Localized states and their stability in an anharmonic medium with a nonlinear defect

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

Gerasimchuk, I. V., E-mail: igor.gera@gmail.com

2015-10-15

A comprehensive analysis of soliton states localized near a plane defect (a defect layer) possessing nonlinear properties is carried out within a quasiclassical approach for different signs of nonlinearity of the medium and different characters of interaction of elementary excitations of the medium with the defect. A quantum interpretation is given to these nonlinear localized modes as a bound state of a large number of elementary excitations. The domains of existence of such states are determined, and their properties are analyzed as a function of the character of interaction of elementary excitations between each other and with the defect. Amore » full analysis of the stability of all the localized states with respect to small perturbations of amplitude and phase is carried out analytically, and the frequency of small oscillations of the state localized on the defect is determined.« less

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

DOE PAGES

Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib; ...

2015-03-24

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

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

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

Park, Yeonggu; Choi, Jin Sik; Choi, Taekjib

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

[Multi-Target Recognition of Internal and External Defects of Potato by Semi-Transmission Hyperspectral Imaging and Manifold Learning Algorithm].

PubMed

Huang, Tao; Li, Xiao-yu; Jin, Rui; Ku, Jing; Xu, Sen-miao; Xu, Meng-ling; Wu, Zhen-zhong; Kong, De-guo

2015-04-01

The present paper put forward a non-destructive detection method which combines semi-transmission hyperspectral imaging technology with manifold learning dimension reduction algorithm and least squares support vector machine (LSSVM) to recognize internal and external defects in potatoes simultaneously. Three hundred fifteen potatoes were bought in farmers market as research object, and semi-transmission hyperspectral image acquisition system was constructed to acquire the hyperspectral images of normal external defects (bud and green rind) and internal defect (hollow heart) potatoes. In order to conform to the actual production, defect part is randomly put right, side and back to the acquisition probe when the hyperspectral images of external defects potatoes are acquired. The average spectrums (390-1,040 nm) were extracted from the region of interests for spectral preprocessing. Then three kinds of manifold learning algorithm were respectively utilized to reduce the dimension of spectrum data, including supervised locally linear embedding (SLLE), locally linear embedding (LLE) and isometric mapping (ISOMAP), the low-dimensional data gotten by manifold learning algorithms is used as model input, Error Correcting Output Code (ECOC) and LSSVM were combined to develop the multi-target classification model. By comparing and analyzing results of the three models, we concluded that SLLE is the optimal manifold learning dimension reduction algorithm, and the SLLE-LSSVM model is determined to get the best recognition rate for recognizing internal and external defects potatoes. For test set data, the single recognition rate of normal, bud, green rind and hollow heart potato reached 96.83%, 86.96%, 86.96% and 95% respectively, and he hybrid recognition rate was 93.02%. The results indicate that combining the semi-transmission hyperspectral imaging technology with SLLE-LSSVM is a feasible qualitative analytical method which can simultaneously recognize the internal and external defects potatoes and also provide technical reference for rapid on-line non-destructive detecting of the internal and external defects potatoes.

Impact of medium-range order on the glass transition in liquid Ni-Si alloys

NASA Astrophysics Data System (ADS)

Lü, Y. J.; Entel, P.

2011-09-01

We study the thermophysical properties and structure of liquid Ni-Si alloys using molecular dynamics simulations. The liquid Ni-5% and 10%Si alloys crystallize to form the face-centered cubic (Ni) at 900 and 850 K, respectively, and the glass transitions take place in Ni-20% and 25%Si alloys at about 700 K. The temperature-dependent self-diffusion coefficients and viscosities exhibit more pronounced non-Arrhenius behavior with the increase of Si content before phase transitions, indicating the enhanced glass-forming ability. These appearances of thermodynamic properties and phase transitions are found to closely relate to the medium-range order clusters with the defective face-centered cubic structure characterized by both local translational and orientational order. This locally ordered structure tends to be destroyed by the addition of more Si atoms, resulting in a delay of nucleation and even glass transition instead.

Phonon Scattering in Silicon by Multiple Morphological Defects: A Multiscale Analysis

NASA Astrophysics Data System (ADS)

Lorenzi, Bruno; Dettori, Riccardo; Dunham, Marc T.; Melis, Claudio; Tonini, Rita; Colombo, Luciano; Sood, Aditya; Goodson, Kenneth E.; Narducci, Dario

2018-05-01

Ideal thermoelectric materials should possess low thermal conductivity κ along with high electrical conductivity σ . Thus, strategies are needed to impede the propagation of phonons mostly responsible for thermal conduction while only marginally affecting charge carrier diffusion. Defect engineering may provide tools to fulfill this aim, provided that one can achieve an adequate understanding of the role played by multiple morphological defects in scattering thermal energy carriers. In this paper, we study how various morphological defects such as grain boundaries and dispersed nanovoids reduce the thermal conductivity of silicon. A blended approach has been adopted, using data from both simulations and experiments in order to cover a wide range of defect densities. We show that the co-presence of morphological defects with different characteristic scattering length scales is effective in reducing the thermal conductivity. We also point out that non-gray models (i.e. models with spectral resolution) are required to improve the accuracy of predictive models explaining the dependence of κ on the density of morphological defects. Finally, the application of spectral models to Matthiessen's rule is critically addressed with the aim of arriving at a compact model of phonon scattering in highly defective materials showing that non-local descriptors would be needed to account for lattice distortion due to nanometric voids.

Detection and estimation of defects in a circular plate using operational deflection shapes

NASA Astrophysics Data System (ADS)

Pai, Perngjin F.; Oh, Yunje; Kim, Byeong-Seok

2002-06-01

This paper investigates dynamic characteristics (mode shapes and natural frequencies) and defect detection of circular plates using a scanning laser vibrometer. Exact dynamic characteristics of a circular aluminum plate having a clamped inner rim and a free outer rim are obtained using two methods; one uses Bessel functions and the other uses a multiple shooting method. An in-house finite element code GESA is also used to analyze the circular plate using the DKT plate element. Numerical results show that some reports in the literature are incorrect and that high-frequency Operational Deflection Shapes (ODSs) are needed in order to locate small defects. Detection of two defects in the circular aluminum plate is experimentally studied using the distributions of RMS velocities under broadband periodic chirp excitations. RMS velocities of ODSs, symmetry breaking of ODSs, splitting of natural frequencies and ODSs, and a Boundary Effect Detection (BED) method. The BED method is non-destructive and model-independent; it processes experimental ODSs to reveal extra local boundary effects caused by defects to reveal locations of defects. Experimental results show that small defects in circular plates can be pinpointed by these approaches. Moreover, a new concept of using the balance of elastic and kinetic energies within a mode cell for detecting defects in two- dimensional structures of irregular shapes is proposed.

Quasiparticle Scattering off Defects and Possible Bound States in Charge-Ordered YBa_{2}Cu_{3}O_{y}.

PubMed

Zhou, R; Hirata, M; Wu, T; Vinograd, I; Mayaffre, H; Krämer, S; Horvatić, M; Berthier, C; Reyes, A P; Kuhns, P L; Liang, R; Hardy, W N; Bonn, D A; Julien, M-H

2017-01-06

We report the NMR observation of a skewed distribution of ^{17}O Knight shifts when a magnetic field quenches superconductivity and induces long-range charge-density-wave (CDW) order in YBa_{2}Cu_{3}O_{y}. This distribution is explained by an inhomogeneous pattern of the local density of states N(E_{F}) arising from quasiparticle scattering off, yet unidentified, defects in the CDW state. We argue that the effect is most likely related to the formation of quasiparticle bound states, as is known to occur, under specific circumstances, in some metals and superconductors (but not in the CDW state, in general, except for very few cases in 1D materials). These observations should provide insight into the microscopic nature of the CDW, especially regarding the reconstructed band structure and the sensitivity to disorder.

Chloride ions induce order-disorder transition at water-oxide interfaces

NASA Astrophysics Data System (ADS)

Deshmukh, Sanket; Kamath, Ganesh; Ramanathan, Shriram; Sankaranarayanan, Subramanian K. R. S.

2013-12-01

Water can form quasi-two-dimensional ordered layers near a solid interface. The solvation dynamics and ionic transport phenomena through this ordered water structure is of direct relevance to a variety of problems in interface science. Molecular dynamics simulations are used to study the impact of local fluctuation of the chloride ion density in the vicinity of an oxide surface on the structure and dynamics of water layers. We demonstrate that local increase in chloride ions beyond a threshold concentration near the water-MgO (100) interface introduces an order-disorder transition of this two-dimensional layered network into bulklike water, leading to increased diffusional characteristics and reduced hydrogen bonding lifetimes. We find that the extent of this order-disorder transition can be tuned by modifying the defect chemistry and nature of the underlying substrate. The kinetic fluidity resulting from order-disorder transition at high chloride ion concentration has significance for a broad range of phenomena, ranging from freezing point depression of brine to onset of aqueous corrosion.

Stimulated luminescence emission from localized recombination in randomly distributed defects.

PubMed

Jain, Mayank; Guralnik, Benny; Andersen, Martin Thalbitzer

2012-09-26

We present a new kinetic model describing localized electronic recombination through the excited state of the donor (d) to an acceptor (a) centre in luminescent materials. In contrast to the existing models based on the localized transition model (LTM) of Halperin and Braner (1960 Phys. Rev. 117 408-15) which assumes a fixed d → a tunnelling probability for the entire crystal, our model is based on nearest-neighbour recombination within randomly distributed centres. Such a random distribution can occur through the entire volume or within the defect complexes of the dosimeter, and implies that the tunnelling probability varies with the donor-acceptor (d-a) separation distance. We first develop an 'exact kinetic model' that incorporates this variation in tunnelling probabilities, and evolves both in spatial as well as temporal domains. We then develop a simplified one-dimensional, semi-analytical model that evolves only in the temporal domain. An excellent agreement is observed between thermally and optically stimulated luminescence (TL and OSL) results produced from the two models. In comparison to the first-order kinetic behaviour of the LTM of Halperin and Braner (1960 Phys. Rev. 117 408-15), our model results in a highly asymmetric TL peak; this peak can be understood to derive from a continuum of several first-order TL peaks. Our model also shows an extended power law behaviour for OSL (or prompt luminescence), which is expected from localized recombination mechanisms in materials with random distribution of centres.

Imaging domain walls between nematic quantum Hall phases on the surface of bismuth

NASA Astrophysics Data System (ADS)

Ding, Hao; Randeria, Mallika T.; Feldman, Benjamin E.; Ji, Huiwen; Cava, Robert J.; Yazdani, Ali

The sensitivity of nematic electronic phases to disorder results in short range ordering and the formation of domains. Local probes are required to investigate the character of these domains and the boundaries between them, which remain hidden in global measurements that average over microscopic configurations. In this talk, I will describe measurements performed with a scanning tunneling microscope to study local nematic order on the surface of bismuth at high magnetic field. By imaging individual anisotropic cyclotron orbit wavefunctions that are pinned to atomic-scale surface defects, we directly resolve local nematic behavior and study the evolution of nematic states across a domain wall. Through spectroscopic mapping, we explore how the broken-symmetry Landau levels disperse across the domain wall, the influence of exchange interactions at such a boundary, and the formation of one-dimensional edge states.

Theoretical study of impurity effects in iron-based superconductors

NASA Astrophysics Data System (ADS)

Navarro Gastiasoro, Maria; Hirschfeld, Peter; Andersen, Brian

2013-03-01

Several open questions remain unanswered for the iron-based superconductors (FeSC), including the importance of electronic correlations and the symmetry of the superconducting order parameter. Motivated by recent STM experiments which show a fascinating variety of resonant defect states in FeSC, we adopt a realistic five-band model including electronic Coulomb correlations to study local effects of disorder in the FeSC. In order to minimize the number of free parameters, we use the pairing interactions obtained from spin-fluctuation exchange to determine the homogeneous superconducting state. The ability of local impurity potentials to induce resonant states depends on their scattering strength Vimp; in addition, for appropriate Vimp, such states are associated with local orbital- and magnetic order. We investigate the density of states near such impurities and show how tunneling experiments may be used to probe local induced order. In the SDW phase, we show how C2 symmetry-breaking dimers are naturally formed around impurities which also form cigar-like (pi,pi) structures embedded in the (pi,0) magnetic bulk phase. Such electronic dimers have been shown to be candidates for explaining the so-called nematogens observed previously by QPI in Co-doped CaFe2As2.

Exploiting Photo-induced Reactions in Polymer Blends to Create Hierarchically Ordered, Defect-free Materials

ScienceCinema

Balazs, Anna [University of Pittsburgh, Pittsburgh, Pennsylvania, United States

2017-12-09

Computer simulations reveal how photo-induced chemical reactions can be exploited to create long-range order in binary and ternary polymeric materials. The process is initiated by shining a spatially uniform light over a photosensitive AB binary blend, which undergoes both a reversible chemical reaction and phase separation. We then introduce a well-collimated, higher-intensity light source. Rastering this secondary light over the sample locally increases the reaction rate and causes formation of defect-free, spatially periodic structures. These binary structures resemble either the lamellar or hexagonal phases of microphase-separated di-block copolymers. We measure the regularity of the ordered structures as a function of the relative reaction rates for different values of the rastering speed and determine the optimal conditions for creating defect-free structures in the binary systems. We then add a non-reactive homo-polymer C, which is immiscible with both A and B. We show that this component migrates to regions that are illuminated by the secondary, higher-intensity light, allowing us to effectively write a pattern of C onto the AB film. Rastering over the ternary blend with this collimated light now leads to hierarchically ordered patterns of A, B, and C. The findings point to a facile, non-intrusive process for manufacturing high-quality polymeric devices in a low-cost, efficient manner.

Availability of the lateral calcaneal region as a donor site of free flaps.

PubMed

Cho, Seung Woo; Park, Ji Ung; Kwon, Sung Tack

2017-09-01

Various methods have been used for the coverage of soft-tissue defects, such as local and free flaps, as well as perforator flaps performed using even supermicrosurgery. However, the techniques have some limitations regarding flap size and location when used to reconstruct small defects. We introduced the lateral calcaneal region as a donor site for free flaps in order to overcome these disadvantages and presented the results from a series of cases. A retrospective chart review was performed on 10 patients with small soft-tissue defects who underwent reconstruction with a lateral calcaneal free flap between January 2011 and May 2014. The reconstruction was performed on the defects at medial and lateral plantar area, dorsum of the foot, great toes and preauricular area. The size of the flaps ranged from 2.5 × 2.5 cm to 4.5 × 4.5 cm. The flaps exhibited complete survival in five cases. Partial necrosis occurred in three cases, two cases healed with secondary intention, and one case required a skin graft. The donor sites were treated with skin grafts and healed completely, with no complications. Lateral calcaneal free flaps have several advantages, such as anatomically constant pedicles, a pliable and thin texture, and the ability to be used as sensory flaps. They therefore represent an alternative option when conventional local or free flaps are not suitable, especially in cases of small defects. © 2016 Wiley Periodicals, Inc. Microsurgery 37:494-501, 2017. © 2016 Wiley Periodicals, Inc.

Damage localization in aluminum plate with compact rectangular phased piezoelectric transducer array

NASA Astrophysics Data System (ADS)

Liu, Zenghua; Sun, Kunming; Song, Guorong; He, Cunfu; Wu, Bin

2016-03-01

In this work, a detection method for the damage in plate-like structure with a compact rectangular phased piezoelectric transducer array of 16 piezoelectric elements was presented. This compact array can not only detect and locate a single defect (through hole) in plate, but also identify multi-defects (through holes and surface defect simulated by an iron pillar glued to the plate). The experiments proved that the compact rectangular phased transducer array could detect the full range of plate structures and implement multiple-defect detection simultaneously. The processing algorithm proposed in this paper contains two parts: signal filtering and damage imaging. The former part was used to remove noise from signals. Continuous wavelet transform was applicable to signal filtering. Continuous wavelet transform can provide a plot of wavelet coefficients and the signal with narrow frequency band can be easily extracted from the plot. The latter part of processing algorithm was to implement damage detection and localization. In order to accurately locate defects and improve the imaging quality, two images were obtained from amplitude and phase information. One image was obtained with the Total Focusing Method (TFM) and another phase image was obtained with the Sign Coherence Factor (SCF). Furthermore, an image compounding technique for compact rectangular phased piezoelectric transducer array was proposed in this paper. With the proposed technique, the compounded image can be obtained by combining TFM image with SCF image, thus greatly improving the resolution and contrast of image.

An improved algorithm of mask image dodging for aerial image

NASA Astrophysics Data System (ADS)

Zhang, Zuxun; Zou, Songbai; Zuo, Zhiqi

2011-12-01

The technology of Mask image dodging based on Fourier transform is a good algorithm in removing the uneven luminance within a single image. At present, the difference method and the ratio method are the methods in common use, but they both have their own defects .For example, the difference method can keep the brightness uniformity of the whole image, but it is deficient in local contrast; meanwhile the ratio method can work better in local contrast, but sometimes it makes the dark areas of the original image too bright. In order to remove the defects of the two methods effectively, this paper on the basis of research of the two methods proposes a balance solution. Experiments show that the scheme not only can combine the advantages of the difference method and the ratio method, but also can avoid the deficiencies of the two algorithms.

Coulomb spin liquid in anion-disordered pyrochlore Tb 2Hf 2O 7

DOE PAGES

Sibille, Romain; Lhotel, Elsa; Hatnean, Monica Ciomaga; ...

2017-10-12

Here, the charge ordered structure of ions and vacancies characterizing rare-earth pyrochlore oxides serves as a model for the study of geometrically frustrated magnetism. The organization of magnetic ions into networks of corner-sharing tetrahedra gives rise to highly correlated magnetic phases with strong fluctuations, including spin liquids and spin ices. It is an open question how these ground states governed by local rules are affected by disorder. Here we demonstrate in the pyrochlore Tb 2Hf 2O 7, that the vicinity of the disordering transition towards a defective fluorite structure translates into a tunable density of anion Frenkel disorder while cationsmore » remain ordered. Quenched random crystal fields and disordered exchange interactions can therefore be introduced into otherwise perfect pyrochlore lattices of magnetic ions. We show that disorder can play a crucial role in preventing long-range magnetic order at low temperatures, and instead induces a strongly fluctuating Coulomb spin liquid with defect-induced frozen magnetic degrees of freedom.« less

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.

Predesigned surface patterns and topological defects control the active matter.

NASA Astrophysics Data System (ADS)

Turiv, Taras; Peng, Chenhui; Guo, Yubing; Wei, Qi-Huo; Lavrentovich, Oleg

Active matter exhibits remarkable patterns of never-ending dynamics with giant fluctuations of concentration, varying order, nucleating and annihilating topological defects. These patterns can be seen in active systems of both biological and artificial origin. A fundamental question is whether and how one can control this chaotic out-of-equilibrium behavior. We demonstrate a robust control of local concentration, trajectories of active self-propelled units and the net flows of active bacteria Bacillus Substilis by imposing pre-designed surface patterns of orientational order in a water-based lyotropic chromonic liquid crystal. The patterns force the bacteria to gather into dynamic swarms with spatially modulated concentration and well-defined polarity of motion. Topological defects produce net motion of bacteria with a unidirectional circulation, while pairs of defects induce a pumping action. The qualitative features of the dynamics can be explained by interplay of curvature and activity, in particular, by ability of mixed splay-bend curvatures to generate threshold-less active flows. The demonstrated level of control opens opportunities in engineering materials and devices that mimic rich functionality of living systems. This work was supported by NSF Grants DMR-1507637, DMS-1434185, CMMI-1436565, by the Petroleum Research Grant PRF# 56046-ND7 administered by the American Chemical Society.

Atomic scale simulations of pyrochlore oxides with a tight-binding variable-charge model: implications for radiation tolerance.

PubMed

Sattonnay, G; Tétot, R

2014-02-05

Atomistic simulations with new interatomic potentials derived from a tight-binding variable-charge model were performed in order to investigate the lattice properties and the defect formation energies in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores. The main objective was to determine the role played by the defect stability on the radiation tolerance of these compounds. Calculations show that the titanate has a more covalent character than the zirconate. Moreover, the properties of oxygen Frenkel pairs, cation antisite defects and cation Frenkel pairs were studied. In Gd2Ti2O7 the cation antisite defect and the Ti-Frenkel pair are not stable: they evolve towards more stable defect configurations during the atomic relaxation process. This phenomenon is driven by a decrease of the Ti coordination number down to five which leads to a local atomic reorganization and strong structural distortions around the defects. These kinds of atomic rearrangements are not observed around defects in Gd2Zr2O7. Therefore, the defect stability in A2B2O7 depends on the ability of B atoms to accommodate high coordination number (higher than six seems impossible for Ti). The accumulation of structural distortions around Ti-defects due to this phenomenon could drive the Gd2Ti2O7 amorphization induced by irradiation.

Non-Radiative Carrier Recombination Enhanced by Two-Level Process: A First-Principles Study

NASA Astrophysics Data System (ADS)

Yang, Ji-Hui; Shi, Lin; Wang, Lin-Wang; Wei, Su-Huai

2016-02-01

Non-radiative recombination plays an important role in the performance of optoelectronic semiconductor devices such as solar cells and light-emitting diodes. Most textbook examples assume that the recombination process occurs through a single defect level, where one electron and one hole are captured and recombined. Based on this simple picture, conventional wisdom is that only defect levels near the center of the bandgap can be effective recombination centers. Here, we present a new two-level recombination mechanism: first, one type of carrier is captured through a defect level forming a metastable state; then the local defect configuration rapidly changes to a stable state, where the other type of carrier is captured and recombined through another defect level. This novel mechanism is applied to the recombination center in CdTe. We show that this two-level process can significantly increase the recombination rate (by three orders of magnitude) in agreement with experiments. We expect that this two-level recombination process can exist in a wide range of semiconductors, so its effect should be carefully examined in characterizing optoelectronic materials.

Yarn-dyed fabric defect classification based on convolutional neural network

NASA Astrophysics Data System (ADS)

Jing, Junfeng; Dong, Amei; Li, Pengfei

2017-07-01

Considering that the manual inspection of the yarn-dyed fabric can be time consuming and less efficient, a convolutional neural network (CNN) solution based on the modified AlexNet structure for the classification of the yarn-dyed fabric defect is proposed. CNN has powerful ability of feature extraction and feature fusion which can simulate the learning mechanism of the human brain. In order to enhance computational efficiency and detection accuracy, the local response normalization (LRN) layers in AlexNet are replaced by the batch normalization (BN) layers. In the process of the network training, through several convolution operations, the characteristics of the image are extracted step by step, and the essential features of the image can be obtained from the edge features. And the max pooling layers, the dropout layers, the fully connected layers are also employed in the classification model to reduce the computation cost and acquire more precise features of fabric defect. Finally, the results of the defect classification are predicted by the softmax function. The experimental results show the capability of defect classification via the modified Alexnet model and indicate its robustness.

Bone Regeneration in Rat Cranium Critical-Size Defects Induced by Cementum Protein 1 (CEMP1)

PubMed Central

Serrano, Janeth; Romo, Enrique; Bermúdez, Mercedes; Narayanan, A. Sampath; Zeichner-David, Margarita; Santos, Leticia; Arzate, Higinio

2013-01-01

Gene therapy approaches to bone and periodontal tissue engineering are being widely explored. While localized delivery of osteogenic factors like BMPs is attractive for promotion of bone regeneration; method of delivery, dosage and side effects could limit this approach. A novel protein, Cementum Protein 1 (CEMP1), has recently been shown to promote regeneration of periodontal tissues. In order to address the possibility that CEMP1 can be used to regenerate other types of bone, experiments were designed to test the effect of hrCEMP1 in the repair/regeneration of a rat calvaria critical-size defect. Histological and microcomputed tomography (µCT) analyses of the calvaria defect sites treated with CEMP1 showed that after 16 weeks, hrCEMP1 is able to induce 97% regeneration of the defect. Furthermore, the density and characteristics of the new mineralized tissues were normal for bone. This study demonstrates that hrCEMP1 stimulates bone formation and regeneration and has therapeutic potential for the treatment of bone defects and regeneration of mineralized tissues. PMID:24265720

Field-induced strain degradation of AlGaN/GaN high electron mobility transistors on a nanometer scale

NASA Astrophysics Data System (ADS)

Lin, Chung-Han; Doutt, D. R.; Mishra, U. K.; Merz, T. A.; Brillson, L. J.

2010-11-01

Nanoscale Kelvin probe force microscopy and depth-resolved cathodoluminescence spectroscopy reveal an electronic defect evolution inside operating AlGaN/GaN high electron mobility transistors with degradation under electric-field-induced stress. Off-state electrical stress results in micron-scale areas within the extrinsic drain expanding and decreasing in electric potential, midgap defects increasing by orders-of-magnitude at the AlGaN layer, and local Fermi levels lowering as gate-drain voltages increase above a characteristic stress threshold. The pronounced onset of defect formation, Fermi level movement, and transistor degradation at the threshold gate-drain voltage of J. A. del Alamo and J. Joh [Microelectron. Reliab. 49, 1200 (2009)] is consistent with crystal deformation and supports the inverse piezoelectric model of high electron mobility transistor degradation.

Theoretical Studies of Nonuniform Orientational Order in Liquid Crystals and Active Particles

NASA Astrophysics Data System (ADS)

Duzgun, Ayhan

I investigate three systems that exhibit complex patterns in orientational order, which are controlled by geometry interacting with the dynamics of phase transitions, metastability, and activity. 1. Liquid Crystal Elastomers: Liquid-crystal elastomers are remarkable materials that combine the elastic properties of cross-linked polymer networks with the anisotropy of liquid crystals. Any distortion of the polymer network affects the nematic order of the liquid crystal, and, likewise, any change in the magnitude or direction of the nematic order influences the shape of the elastomer. When elastomers are prepared without any alignment, they develop disordered polydomain structures as they are cooled into the nematic phase. To model these polydomain structures, I develop a dynamic theory for the isotropic-nematic transition in elastomers. 2. Active Brownian Particles: Unlike equilibrium systems, active matter is not governed by the conventional laws of thermodynamics. I perform Langevin dynamics simulations and analytic calculations to explore how systems cross over from equilibrium to active behavior as the activity is increased. Based on these results, I calculate how the pressure depends on wall curvature, and hence make analytic predictions for the motion of curved tracers and other effects of confinement in active matter systems. 3. Skyrmions in Liquid Crystals: Skyrmions are localized topological defects in the orientation of an order parameter field, without a singularity in the magnitude of the field. For many years, such defects have been studied in the context of chiral liquid crystals--for example, as bubbles in a confined cholesteric phase or as double-twist tubes in a blue phase. More recently, skyrmions have been investigated extensively in the context of chiral magnets. In this project, I compare skyrmions in chiral liquid crystals with the analogous magnetic defects. Through simulations based on the nematic order tensor, I model both isolated skyrmions and periodic defect lattices.

A technique of experimental and numerical analysis of influence of defects in the intraocular lens on the retinal image quality

NASA Astrophysics Data System (ADS)

Geniusz, Malwina; ZajÄ c, Marek

2016-09-01

Intraocular lens (IOL) is an artificial lens implanted into the eye in order to restore correct vision after the removal of natural lens cloudy due to cataract. The IOL prolonged stay in the eyeball causes the creation of different changes on the surface and inside the implant mainly in form of small-size local defects such as vacuoles and calcium deposites. Their presence worsens the imaging properties of the eye mainly due to occurence of scattered light thus deteriorating the vision quality of patients after cataract surgery. It is very difficult to study influence the effects of these changes on image quality in real patients. To avoid these difficulties two other possibilities were chosen: the analysis of the image obtained in an optomechanical eye model with artificially aged IOL as well as numerical calculation of the image characteristics while the eye lens is burdened with adequately modeled defects. In experiments the optomechanical model of an eye consisting of a glass "cornea", chamber filled with liquid where the IOL under investigation was inserted and a high resulution CCC detector serving as a "retina" was used. The Modulation Transfer Function (MTF) of such "eye" was evaluated on the basis of image of an edge. Experiments show that there is significant connection between ageing defects and decrease in MTF parameters. Numerical part was performed with a computer programme for optical imaging analysis (OpticStudio Professional, Zemax Professional from Radiant Zemax, LLC). On the basis of Atchison eye model with lens burdened with defects Modulation Transfer Functio was calculated. Particular parameters of defects used in a numerical model were based on own measurements. Numerical simulation also show significant connection between ageing defects and decrease of MTF parameters. With this technique the influence of types, density and distribution of local defect in the IOL on the retinal image quality can be evaluated quickly without the need of performing very difficult and even dangereous experiments on real human patients.

Localized modes in optics of photonic liquid crystals with local anisotropy of absorption

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

Belyakov, V. A., E-mail: bel1937@mail.ru, E-mail: bel@landau.ac.ru; Semenov, S. V.

2016-05-15

The localized optical modes in spiral photonic liquid crystals are theoretically studied for the certainty at the example of chiral liquid crystals (CLCs) for the case of CLC with an anisotropic local absorption. The model adopted here (absence of dielectric interfaces in the structures under investigation) makes it possible to get rid of mixing of polarizations on the surfaces of the CLC layer and of the defect structure and to reduce the corresponding equations to only the equations for light with polarization diffracting in the CLC. The dispersion equations determining connection of the edge mode (EM) and defect mode (DM)more » frequencies with the CLC layer parameters (anisotropy of local absorption, CLC order parameter) and other parameters of the DMS are obtained. Analytic expressions for the transmission and reflection coefficients of CLC layer and DMS for the case of CLC with an anisotropic local absorption are presented and analyzed. It is shown that the CLC layers with locally anisotropic absorption reduce the EM and DM lifetimes (and increase the lasing threshold) in the way different from the case of CLC with an isotropic local absorption. Due to the Borrmann effect revealing of which is different at the opposite stop-band edges in the case of CLC layers with an anisotropic local absorption the EM life-times for the EM frequencies at the opposite stop-bands edges may be significantly different. The options of experimental observations of the theoretically revealed phenomena are briefly discussed.« less

Localized modes in optics of photonic liquid crystals with local anisotropy of absorption

NASA Astrophysics Data System (ADS)

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

2016-05-01

The localized optical modes in spiral photonic liquid crystals are theoretically studied for the certainty at the example of chiral liquid crystals (CLCs) for the case of CLC with an anisotropic local absorption. The model adopted here (absence of dielectric interfaces in the structures under investigation) makes it possible to get rid of mixing of polarizations on the surfaces of the CLC layer and of the defect structure and to reduce the corresponding equations to only the equations for light with polarization diffracting in the CLC. The dispersion equations determining connection of the edge mode (EM) and defect mode (DM) frequencies with the CLC layer parameters (anisotropy of local absorption, CLC order parameter) and other parameters of the DMS are obtained. Analytic expressions for the transmission and reflection coefficients of CLC layer and DMS for the case of CLC with an anisotropic local absorption are presented and analyzed. It is shown that the CLC layers with locally anisotropic absorption reduce the EM and DM lifetimes (and increase the lasing threshold) in the way different from the case of CLC with an isotropic local absorption. Due to the Borrmann effect revealing of which is different at the opposite stop-band edges in the case of CLC layers with an anisotropic local absorption the EM life-times for the EM frequencies at the opposite stop-bands edges may be significantly different. The options of experimental observations of the theoretically revealed phenomena are briefly discussed.

Kinetic Defects Induced by Melittin in Model Lipid Membranes: A Solution Atomic Force Microscopy Study.

PubMed

Pan, Jianjun; Khadka, Nawal K

2016-05-26

Quantitative characterization of membrane defects (pores) is important for elucidating the molecular basis of many membrane-active peptides. We study kinetic defects induced by melittin in vesicular and planar lipid bilayers. Fluorescence spectroscopy measurements indicate that melittin induces time-dependent calcein leakage. Solution atomic force microscopy (AFM) is used to visualize melittin-induced membrane defects. After initial equilibration, the most probable defect radius is ∼3.8 nm in 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) bilayers. Unexpectedly, defects become larger with longer incubation, accompanied by substantial shape transformation. The initial defect radius is ∼4.7 nm in 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayers. Addition of 30 mol % cholesterol to DOPC bilayers suppresses defect kinetics, although the inhibitory impact is negated by longer incubation. Overall, the kinetic rate of defect development follows DLPC > DOPC > DOPC/cholesterol. Kinetic defects are also observed when anionic lipids are present. Based on the observation that defects can occupy as large as 40% of the bilayer surface, we propose a kinetic defect growth model. We also study the effect of melittin on the phase behavior of DOPC/egg-sphingomyelin/cholesterol bilayers. We find that melittin initially suppresses or eliminates liquid-ordered (Lo) domains; Lo domains gradually emerge and become the dominant species with longer incubation; and defects in phase-coexisting bilayers have a most probable radius of ∼5 nm and are exclusively localized in the liquid-disordered (Ld) phase. Our experimental data highlight that melittin-induced membrane defects are not static; conversely, spontaneous defect growth is intrinsically associated with membrane permeabilization exerted by melittin.

Bending and breaking of stripes in a charge ordered manganite.

PubMed

Savitzky, Benjamin H; El Baggari, Ismail; Admasu, Alemayehu S; Kim, Jaewook; Cheong, Sang-Wook; Hovden, Robert; Kourkoutis, Lena F

2017-12-01

In charge-ordered phases, broken translational symmetry emerges from couplings between charge, spin, lattice, or orbital degrees of freedom, giving rise to remarkable phenomena such as colossal magnetoresistance and metal-insulator transitions. The role of the lattice in charge-ordered states remains particularly enigmatic, soliciting characterization of the microscopic lattice behavior. Here we directly map picometer scale periodic lattice displacements at individual atomic columns in the room temperature charge-ordered manganite Bi 0.35 Sr 0.18 Ca 0.47 MnO 3 using aberration-corrected scanning transmission electron microscopy. We measure transverse, displacive lattice modulations of the cations, distinct from existing manganite charge-order models. We reveal locally unidirectional striped domains as small as ~5 nm, despite apparent bidirectionality over larger length scales. Further, we observe a direct link between disorder in one lattice modulation, in the form of dislocations and shear deformations, and nascent order in the perpendicular modulation. By examining the defects and symmetries of periodic lattice displacements near the charge ordering phase transition, we directly visualize the local competition underpinning spatial heterogeneity in a complex oxide.

Effect of 10B isotope and vacancy defects on the phonon modes of two-dimensional hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Sherajul Islam, Md.; Anindya, Khalid N.; Bhuiyan, Ashraful G.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

2018-02-01

We report the details of the effects of the 10B isotope and those of B and N vacancies combined with the isotope on the phonon modes of two-dimensional hexagonal boron nitride (h-BN). The phonon density of states and localization problems are solved using the forced vibrational method, which is suitable for an intricate and disordered system. We observe an upward shift of Raman-active E2g-mode optical phonons (32 cm-1) for a 100% 10B isotope, which matches well with the experiment and simple harmonic oscillator model. However, a downward shift of E2g-mode phonons is observed for B or N vacancies and the combination of the isotope and vacancy-type disordered BN. Strong localized eigenmodes are found for all types of defects, and a typical localization length is on the order of ˜7 nm for naturally occurring BN samples. These results are very important for understanding the heat dissipation and electron transport properties of BN-based nanoelectronics.

Investigations on the defect dipole induced pyroelectric current in multiferroic GdMnO3 system

NASA Astrophysics Data System (ADS)

Pal, A.; Dhana Sekhar, C.; Venimadhav, A.; Prellier, W.; Murugavel, P.

2018-01-01

Pyroelectric current measurements on the orthorhombic GdMnO3 polycrystalline sample are done to explore the intrinsic and extrinsic contributions. The measurements reveal poling temperature dependent pyrocurrent peaks at 20, 50 and 108 K. The pyrocurrent at 20 K and at 108 K are attributed to ferroelectric transition induced by the incommensurate spiral magnetic ordering of Mn spins and the release of trapped charges from the localized states, respectively. A detailed analysis on the broad pyrocurrent signal at 50 K suggests that it could be attributed to the thermally stimulated depolarization current effect due to the relaxation of defect dipoles induced by negatively charged Mn3+ ions and excess holes localized at Mn4+ sites. Importantly, the effect of the electric field due to the defect dipoles on the ferroelectric state is highlighted. The temperature dependent dielectric measurements under the magnetic field brought out the correlation between pyroelectric and dielectric properties. The influence of poling temperature dependent extrinsic effects on pyrocurrent suggests the choice of poling temperature on the study of polarization and the resultant multiferroicity in a spin-driven ferroelectric rare earth manganite system.

Detection of microstructural defects in chalcopyrite Cu(In,Ga)Se2 solar cells by spectrally-filtered electroluminescence

NASA Astrophysics Data System (ADS)

Skvarenina, L.; Gajdos, A.; Macku, R.; Skarvada, P.

2017-12-01

The aim of this research is to detect and localize microstructural defects by using an electrically excited light emission from a forward/reverse-bias stressed pn-junction in thin-film Cu(In; Ga)Se2 solar cells with metal wrap through architecture. A different origin of the local light emission from intrinsic/extrinsic imperfections in these chalcopyrite-based solar cells can be distinguished by a spectrally-filtered electroluminescence mapping. After a light emission mapping and localization of the defects in a macro scale is performed a micro scale exploration of the solar cell surface by a scanning electron microscope which follows the particular defects obtained by an electroluminescence. In particular, these macroscopic/microscopic examinations are performed independently, then the searching of the corresponding defects in the micro scale is rather difficult due to a diffused light emission obtained from the macro scale localization. Some of the defects accompanied by a highly intense light emission very often lead to a strong local overheating. Therefore, the lock-in infrared thermography is also performed along with an electroluminescence mapping.

Ab initio phonon point defect scattering and thermal transport in graphene

NASA Astrophysics Data System (ADS)

Polanco, Carlos A.; Lindsay, Lucas

2018-01-01

We study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitude smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (˜ω0 ) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. This work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.

The multiuniverse transition in superfluid 3He

NASA Astrophysics Data System (ADS)

Bunkov, Yury

2013-10-01

The symmetry-breaking phase transitions of the universe and of superfluid 3He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using 3He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

The multiuniverse transition in superfluid 3He.

PubMed

Bunkov, Yury

2013-10-09

The symmetry-breaking phase transitions of the universe and of superfluid (3)He may lead to the formation of different states with different order parameters. In both cases the energy potential below the transition temperature has a complicated multidimensional profile with many local minima and saddle points, which correspond to different states. Consequently, not only topological defects, but also islands of different metastable states can be created. Using (3)He we can analyse the properties and experimental consequences of such transitions and, in particular, the first-order phase transition between the two low symmetry states.

Structure and electronic properties of grain boundaries in earth-abundant photovoltaic absorber Cu2ZnSnSe4.

PubMed

Li, Junwen; Mitzi, David B; Shenoy, Vivek B

2011-11-22

We have studied the atomic and electronic structure of Cu(2)ZnSnSe(4) and CuInSe(2) grain boundaries using first-principles calculations. We find that the constituent atoms at the grain boundary in Cu(2)ZnSnSe(4) create localized defect states that promote the recombination of photon-excited electron and hole carriers. In distinct contrast, significantly lower density of defect states is found at the grain boundaries in CuInSe(2), which is consistent with the experimental observation that CuInSe(2) solar cells exhibit high conversion efficiency without the need for deliberate passivation. Our investigations suggest that it is essential to effectively remove these defect states in order to improve the conversion efficiency of solar cells with Cu(2)ZnSnSe(4) as photovoltaic absorber materials. © 2011 American Chemical Society

Defect-induced ferromagnetism in semiconductors: A controllable approach by particle irradiation

NASA Astrophysics Data System (ADS)

Zhou, Shengqiang

2014-05-01

Making semiconductors ferromagnetic has been a long dream. One approach is to dope semiconductors with transition metals (TM). TM ions act as local moments and they couple with free carriers to develop collective magnetism. However, there are no fundamental reasons against the possibility of local moment formation from localized sp states. Recently, ferromagnetism was observed in nonmagnetically doped, but defective semiconductors or insulators including ZnO and TiO2. This kind of observation challenges the conventional understanding of ferromagnetism. Often the defect-induced ferromagnetism has been observed in samples prepared under non-optimized condition, i.e. by accident or by mistake. Therefore, in this field theory goes much ahead of experimental investigation. To understand the mechanism of the defect-induced ferromagnetism, one needs a better controlled method to create defects in the crystalline materials. As a nonequilibrium and reproducible approach of inducing defects, ion irradiation provides such a possibility. Energetic ions displace atoms from their equilibrium lattice sites, thus creating mainly vacancies, interstitials or antisites. The amount and the distribution of defects can be controlled by the ion fluence and energy. By ion irradiation, we have generated defect-induced ferromagnetism in ZnO, TiO2 and SiC. In this short review, we also summarize some results by other groups using energetic ions to introduce defects, and thereby magnetism in various materials. Ion irradiation combined with proper characterizations of defects could allow us to clarify the local magnetic moments and the coupling mechanism in defective semiconductors. Otherwise we may have to build a new paradigm to understand the defect-induced ferromagnetism.

Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations.

PubMed

Fischer, Michael

2015-10-14

The chabazite-type silicoaluminophosphate SAPO-34 is a promising adsorbent for applications in thermal energy storage using water adsorption-desorption cycles. In order to develop a microscopic understanding of the impact of local heterogeneities and defects on the water adsorption properties, the interaction of different models of SAPO-34 with water was studied using dispersion-corrected density-functional theory (DFT-D) calculations. In addition to SAPO-34 with isolated silicon atoms, the calculations considered models incorporating two types of heterogeneities (silicon islands, aluminosilicate domains), and two defect-containing (partially and fully desilicated) systems. DFT-D optimisations were performed for systems with small amounts of adsorbed water, in which all H2O molecules can interact with framework protons, and systems with large amounts of adsorbed water (30 H2O molecules per unit cell). At low loadings, the host-guest interaction energy calculated for SAPO-34 with isolated Si atoms amounts to approximately -90 kJ mol(-1). While the presence of local heterogeneities leads to the creation of some adsorption sites that are energetically slightly more favourable, the interaction strength is drastically reduced in systems with defects. At high water loadings, energies in the range of -70 kJ mol(-1) are obtained for all models. The DFT-D interaction energies are in good agreement with experimentally measured heats of water adsorption. A detailed analysis of the equilibrium structures was used to gain insights into the binding modes at low coverages, and to assess the extent of framework deprotonation and changes in the coordination environment of aluminium atoms at high water loadings.

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.

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

Maughan, Annalise E.; Ganose, Alex M.; Bordelon, Mitchell M.

Vacancy-ordered double perovskites of the general formula, A2BX6, are a family of perovskite derivatives composed of a face-centered lattice of nearly isolated [BX6] units with A-site cations occupying the cuboctahedral voids. Despite the presence of isolated octahedral units, the close-packed iodide lattice provides significant electronic dispersion, such that Cs2SnI6 has recently been explored for applications in photovoltaic devices. To elucidate the structure-property relationships of these materials, we have synthesized the solid solution Cs2Sn1-xTexI6. However, even though tellurium substitution increases electronic dispersion via closer I-I contact distances, the substitution experimentally yields insulating behavior from a significant decrease in carrier concentration andmore » mobility. Density functional calculations of native defects in Cs2SnI6 reveal that iodine vacancies exhibit a low enthalpy of formation and the defect energy level is a shallow donor to the conduction band, rendering the material tolerant to these defect states. The increased covalency of Te-I bonding renders the formation of iodine vacancy states unfavorable, and is responsible for the reduction in conductivity upon Te substitution. Additionally, Cs2TeI6 is intolerant to the formation of these defects, as the defect level occurs deep within the band gap and thus localizes potential mobile charge carriers. In these vacancy-ordered double perovskites, the close-packed lattice of iodine provides significant electronic dispersion, while the interaction of the B- and X-site ions dictates the properties as they pertain to electronic structure and defect tolerance. This simplified perspective -- based on extensive experimental and theoretical analysis -- provides a platform from which to understand structure-property relationships in functional perovskite halides.« less

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.

TiO 2 nanotube arrays for photocatalysis: Effects of crystallinity, local order, and electronic structure

DOE PAGES

Liu, Jing; Hosseinpour, Pegah M.; Luo, Si; ...

2014-11-19

To furnish insight into correlations of electronic and local structure and photoactivity, arrays of short and long TiO₂ nanotubes were synthesized by electrochemical anodization of Ti foil, followed by thermal treatment in O₂ (oxidizing), Ar (inert), and H₂ (reducing) environments. The physical and electronic structures of these nanotubes were probed with x-ray diffraction, scanning electron microscopy, and synchrotron-based x-ray absorption spectroscopy, and correlated with their photocatalytic properties. The photocatalytic activity of the nanotubes was evaluated by monitoring the degradation of methyl orange under UV-VIS light irradiation. Results show that upon annealing at 350 °C all as-anodized amorphous TiO₂ nanotube samplesmore » partially transform to the anatase structure, with variations in the degree of crystallinity and in the concentration of local defects near the nanotubes' surface (~5 nm) depending on the annealing conditions. Degradation of methyl orange was not detectable for the as-anodized TiO₂ nanotubes regardless of their length. The annealed long nanotubes demonstrated detectable catalytic activity, which was more significant with the H₂-annealed nanotubes than with the Ar- and O₂-annealed nanotube samples. This enhanced photocatalytic response of the H₂-annealed long nanotubes relative to the other samples is positively correlated with the presence of a larger concentration of lattice defects (such as Ti 3+ and anticipated oxygen vacancies) and a slightly lower degree of crystallinity near the nanotube surface. These physical and electronic structural attributes impact the efficacy of visible light absorption; moreover, the increased concentration of surface defects is postulated to promote the generation of hydroxyl radicals and thus accelerate the photodegradation of the methyl orange. The information obtained from this study provides unique insight into the role of the near-surface electronic and defect structure, crystal structure, and the local chemical environment on the photocatalytic activity and may be employed for tailoring the materials' properties for photocatalysis and other energy-related applications.« less

21 CFR 1305.25 - Unaccepted and defective electronic orders.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 9 2010-04-01 2010-04-01 false Unaccepted and defective electronic orders. 1305... SCHEDULE I AND II CONTROLLED SUBSTANCES Electronic Orders § 1305.25 Unaccepted and defective electronic orders. (a) No electronic order may be filled if: (1) The required data fields have not been completed...

21 CFR 1305.25 - Unaccepted and defective electronic orders.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 9 2014-04-01 2014-04-01 false Unaccepted and defective electronic orders. 1305... SCHEDULE I AND II CONTROLLED SUBSTANCES Electronic Orders § 1305.25 Unaccepted and defective electronic orders. (a) No electronic order may be filled if: (1) The required data fields have not been completed...

Single-dose local administration of parathyroid hormone (1-34, PTH) with β-tricalcium phosphate/collagen (β-TCP/COL) enhances bone defect healing in ovariectomized rats.

PubMed

Tao, Zhou-Shan; Zhou, Wan-Shu; Wu, Xin-Jing; Wang, Lin; Yang, Min; Xie, Jia-Bing; Xu, Zhu-Jun; Ding, Guo-Zheng

2018-02-01

Parathyroid hormone (1-34, PTH) combined β-tricalcium phosphate (β-TCP) achieves stable bone regeneration without cell transplantation in previous studies. Recently, with the development of tissue engineering slow release technology, PTH used locally to promote bone defect healing become possible. This study by virtue of collagen with a combination of drugs and has a slow release properties, and investigated bone regeneration by β-TCP/collagen (β-TCP/COL) with the single local administration of PTH. After the creation of a rodent critical-sized femoral metaphyseal bone defect, β-TCP/COL was prepared by mixing sieved granules of β-TCP and atelocollagen for medical use, then β-TCP/COL with dripped PTH solution (1.0 µg) was implanted into the defect of OVX rats until death at 4 and 8 weeks. The defected area in distal femurs of rats was harvested for evaluation by histology, micro-CT, and biomechanics. The results of our study show that single-dose local administration of PTH combined local usage of β-TCP/COL can increase the healing of defects in OVX rats. Furthermore, treatments with single-dose local administration of PTH and β-TCP/COL showed a stronger effect on accelerating the local bone formation than β-TCP/COL used alone. The results from our study demonstrate that combination of single-dose local administration of PTH and β-TCP/COL had an additive effect on local bone formation in osteoporosis rats.

Description of the atomic disorder (local order) in crystals by the mixed-symmetry method

NASA Astrophysics Data System (ADS)

Dudka, A. P.; Novikova, N. E.

2017-11-01

An approach to the description of local atomic disorder (short-range order) in single crystals by the mixed-symmetry method based on Bragg scattering data is proposed, and the corresponding software is developed. In defect-containing crystals, each atom in the unit cell can be described by its own symmetry space group. The expression for the calculated structural factor includes summation over different sets of symmetry operations for different atoms. To facilitate the search for new symmetry elements, an "atomic disorder expert" was developed, which estimates the significance of tested models. It is shown that the symmetry lowering for some atoms correlates with the existence of phase transitions (in langasite family crystals) and the anisotropy of physical properties (in rare-earth dodecaborides RB12).

Frazzled/DCC facilitates cardiac cell outgrowth and attachment during Drosophila dorsal vessel formation.

PubMed

Macabenta, Frank D; Jensen, Amber G; Cheng, Yi-Shan; Kramer, Joseph J; Kramer, Sunita G

2013-08-15

Drosophila embryonic dorsal vessel (DV) morphogenesis is a highly stereotyped process that involves the migration and morphogenesis of 52 pairs of cardioblasts (CBs) in order to form a linear tube. This process requires spatiotemporally-regulated localization of signaling and adhesive proteins in order to coordinate the formation of a central lumen while maintaining simultaneous adhesion between CBs. Previous studies have shown that the Slit/Roundabout and Netrin/Unc5 repulsive signaling pathways facilitate site-specific loss of adhesion between contralateral CBs in order to form a luminal space. However, the concomitant mechanism by which attraction initiates CB outgrowth and discrete localization of adhesive proteins remains poorly understood. Here we provide genetic evidence that Netrin signals through DCC (Deleted in Colorectal Carcinoma)/UNC-40/Frazzled (Fra) to mediate CB outgrowth and attachment and that this function occurs prior to and independently of Netrin/UNC-5 signaling. fra mRNA is expressed in the CBs prior to and during DV morphogenesis. Loss-of-fra-function results in significant defects in cell shape and alignment between contralateral CB rows. In addition, CB outgrowth and attachment is impaired in both fra loss- and gain-of-function mutants. Deletion of both Netrin genes (NetA and NetB) results in CB attachment phenotypes similar to fra mutants. Similar defects are also seen when both fra and unc5 are deleted. Finally we show that Fra accumulates at dorsal and ventral leading edges of paired CBs, and this localization is dependent upon Netrin. We propose that while repulsive guidance mechanisms contribute to lumen formation by preventing luminal domains from coming together, site-specific Netrin/Frazzled signaling mediates CB attachment. Copyright © 2013 Elsevier Inc. All rights reserved.

First-principles study of defects and phase transition in UO(2).

PubMed

Yu, Jianguo; Devanathan, Ram; Weber, William J

2009-10-28

Defect properties and phase transition in UO(2) have been studied from first principles by the all-electron projector-augmented-wave (PAW) method. The generalized gradient approximation with empirical self-interaction correction, (GGA)+U, formalism has been used to account for the strong on-site Coulomb repulsion among the localized U 5f electrons. The Hubbard parameter U(eff), magnetic ordering, chemical potential and heat of formation have been systematically examined. By choosing an appropriate U(eff) = 3.0 eV it is possible to consistently describe structural properties of UO(2) and model the phase transition processes. The phase transition pressure for UO(2) is about 20 GPa, which is less than the experimental value of 42 GPa but better than the LDA+U value of 7.8 GPa. Meanwhile our results for the formation energies of intrinsic defects partly confirm earlier calculations for the intrinsic charge neutral defects but reveal large variations depending on the determination of the chemical potential and whether the environment is O-rich or U-rich. Moreover, the results for extrinsic defects of Xe, which are representative of mobile insoluble fission product in UO(2), are consistent with experimental data in which Xe prefers to be trapped by Schottky defects.

Defect Structure of Beta NiAl Using the BFS Method for Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Amador, Carlos; Ferrante, John; Noebe, Ronald D.

1996-01-01

The semiempirical BFS method for alloys is generalized by replacing experimental input with first-principles results thus allowing for the study of complex systems. In order to examine trends and behavior of a system in the vicinity of a given point of the phase diagram a search procedure based on a sampling of selected configurations is employed. This new approach is applied to the study of the beta phase of the Ni-Al system, which exists over a range of composition from 45-60 at.% Ni. This methodology results in a straightforward and economical way of reproducing and understanding the basic features of this system. At the stoichiometric composition, NiAl should exist in a perfectly ordered B2 structure. Ni-rich alloys are characterized by antisite point defects (with Ni atoms in the Al sites) with a decrease in lattice parameters. On the Al-rich side of stoichiometry there is a steep decrease in lattice parameter and density with increasing Al content. The presence of vacancies in Ni sites would explain such behavior. Recent X-ray diffraction experiments suggest a richer structure: the evidence, while strongly favoring the presence of vacancies in Ni sites, also suggests the possibility of some vacancies in Al sites in a 3:1 ratio. Moreover, local ordering of vacant sites may be preferred over a random distribution of individual point defects.

Local defect resonance (LDR): A route to highly efficient thermosonic and nonlinear ultrasonic NDT

NASA Astrophysics Data System (ADS)

Solodov, Igor

2014-02-01

The concept of LDR is based on the fact that inclusion of a defect leads to a local drop of rigidity for a certain mass of the material that should manifest in a particular characteristic frequency of the defect. A frequency match between the driving ultrasonic wave and this characteristic frequency provides an efficient energy pumping from the wave directly into the defect. For simulated and realistic defects in various materials the LDR-induced local resonance increase in the vibration amplitude averages up to ˜ (20-40 dB). Due to a strong resonance amplification of the local vibrations, the LDR-driven defects manifest a profound nonlinearity even at moderate ultrasonic excitation level. The nonlinearity combined with resonance results in efficient generation of the higher harmonics and is also used as a filter/amplifier in the frequency mixing mode of nonlinear NDT. The LDR high-Q thermal response enables to realize a frequency-selective imaging with an opportunity to distinguish between different defects by changing the driving frequency. The LDR-thermosonics requires much lower acoustic power to activate defects that makes it possible to avoid high-power ultrasonic instrumentation and proceed to a noncontact ultrasonic thermography by using air-coupled ultrasonic excitation.

Non-radiative carrier recombination enhanced by two-level process: A first-principles study

DOE PAGES

Yang, Ji -Hui; Shi, Lin; Wang, Lin -Wang; ...

2016-02-16

In this study, non-radiative recombination plays an important role in the performance of optoelectronic semiconductor devices such as solar cells and light-emitting diodes. Most textbook examples assume that the recombination process occurs through a single defect level, where one electron and one hole are captured and recombined. Based on this simple picture, conventional wisdom is that only defect levels near the center of the bandgap can be effective recombination centers. Here, we present a new two-level recombination mechanism: first, one type of carrier is captured through a defect level forming a metastable state; then the local defect configuration rapidly changesmore » to a stable state, where the other type of carrier is captured and recombined through another defect level. This novel mechanism is applied to the recombination center Te 2+ cd in CdTe. We show that this two-level process can significantly increase the recombination rate (by three orders of magnitude) in agreement with experiments. We expect that this two-level recombination process can exist in a wide range of semiconductors, so its effect should be carefully examined in characterizing optoelectronic materials.« less

Inline inspection of textured plastics surfaces

NASA Astrophysics Data System (ADS)

Michaeli, Walter; Berdel, Klaus

2011-02-01

This article focuses on the inspection of plastics web materials exhibiting irregular textures such as imitation wood or leather. They are produced in a continuous process at high speed. In this process, various defects occur sporadically. However, current inspection systems for plastics surfaces are able to inspect unstructured products or products with regular, i.e., highly periodic, textures, only. The proposed inspection algorithm uses the local binary pattern operator for texture feature extraction. For classification, semisupervised as well as supervised approaches are used. A simple concept for semisupervised classification is presented and applied for defect detection. The resulting defect-maps are presented to the operator. He assigns class labels that are used to train the supervised classifier in order to distinguish between different defect types. A concept for parallelization is presented allowing the efficient use of standard multicore processor PC hardware. Experiments with images of a typical product acquired in an industrial setting show a detection rate of 97% while achieving a false alarm rate below 1%. Real-time tests show that defects can be reliably detected even at haul-off speeds of 30 m/min. Further applications of the presented concept can be found in the inspection of other materials.

Strongly localized donor level in oxygen doped gallium nitride

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

Wetzel, C.; Suski, T.; Ager, J.W. III

1996-08-01

A classification in terms of localization of donor defects in GaN is performed by Raman spectroscopy under large hydrostatic pressure. We observe a significant decrease of free carrier concentration in highly O doped GaN epitaxial films at 22 GPa, indicating the presence of a strongly localized donor defect at large pressure. Monitoring the phonon plasmon coupled mode, we find similarities with results on highly n-type bulk crystals. We refine the model of localized defects in GaN and transfer it to the AlGaN system.

Nature and evolution of incommensurate charge order in manganites visualized with cryogenic scanning transmission electron microscopy

PubMed Central

Savitzky, Benjamin H.; Admasu, Alemayehu S.; Kim, Jaewook; Cheong, Sang-Wook; Hovden, Robert; Kourkoutis, Lena F.

2018-01-01

Incommensurate charge order in hole-doped oxides is intertwined with exotic phenomena such as colossal magnetoresistance, high-temperature superconductivity, and electronic nematicity. Here, we map, at atomic resolution, the nature of incommensurate charge–lattice order in a manganite using scanning transmission electron microscopy at room temperature and cryogenic temperature (∼93 K). In diffraction, the ordering wave vector changes upon cooling, a behavior typically associated with incommensurate order. However, using real space measurements, we discover that the ordered state forms lattice-locked regions over a few wavelengths interspersed with phase defects and changing periodicity. The cations undergo picometer-scale (∼6 pm to 11 pm) transverse displacements, suggesting that charge–lattice coupling is strong. We further unearth phase inhomogeneity in the periodic lattice displacements at room temperature, and emergent phase coherence at 93 K. Such local phase variations govern the long-range correlations of the charge-ordered state and locally change the periodicity of the modulations, resulting in wave vector shifts in reciprocal space. These atomically resolved observations underscore the importance of lattice coupling and phase inhomogeneity, and provide a microscopic explanation for putative “incommensurate” order in hole-doped oxides. PMID:29382750

The effects of intragrain defects on the local photoresponse of polycrystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Inoue, N.; Wilmsen, C. W.; Jones, K. A.

1981-02-01

Intragrain defects in Wacker cast and Monsanto zone-refined polycrystalline silicon materials were investigated using the electron-beam-induced current (EBIC) technique. The EBIC response maps were compared with etch pit, local diffusion length and local photoresponse measurements. It was determined that the Wacker polycrystalline silicon has a much lower density of defects than does the Monsanto polycrystalline silicon and that most of the defects in the Wacker material are not active recombination sites. A correlation was found between the recombination site density, as determined by EBIC, and the local diffusion length. It is shown that a large density of intragrain recombination sites greatly reduces the minority carrier diffusion length and thus can significantly reduce the photoresponse of solar cells.

Orientational order of motile defects in active nematics

DOE PAGES

DeCamp, Stephen J.; Redner, Gabriel S.; Baskaran, Aparna; ...

2015-08-17

The study of equilibrium liquid crystals has led to fundamental insights into the nature of ordered materials, as well as many practical applications such as display technologies. Active nematics are a fundamentally different class of liquid crystals, which are driven away from equilibrium by the autonomous motion of their constituent rodlike particles. This internally-generated activity powers the continuous creation and annihilation of topological defects, leading to complex streaming flows whose chaotic dynamics appear to destroy long-range order. Here, we study these dynamics in experimental and computational realizations of active nematics. By tracking thousands of defects over centimeter distances in microtubule-basedmore » active nematics, we identify a non-equilibrium phase characterized by system-spanning orientational order of defects. This emergent order persists over hours despite defect lifetimes of only seconds. Lastly, similar dynamical structures are observed in coarse-grained simulations, suggesting that defect-ordered phases are a generic feature of active nematics.« less

Control of CFRP strengthening applied to civil structures by IR thermography

NASA Astrophysics Data System (ADS)

Grinzato, E.; Trentin, R.; Bison, P. G.; Marinetti, S.

2007-04-01

NdT methods are highly promoted by an increasing demand of checking the effectiveness of strengthening and repair intervention on structural components, both in buildings and bridges. IR thermography exhibits excellent performances, particularly when innovative materials as CFRP (Carbon Fiber Reinforced Polymer) are used. Non destructive control by the use of thermographic analysis is used to detect adhesion defects or imperfections, which can lead the component to become brittle and collapsing unexpectedly. This paper shows as the geometrical evaluation of delaminated areas is carried out. Laboratory tests both on reduced or full scale are illustrated in order to set up and validate the proposed procedure. An experimental study on samples bonded with FRP and containing defects appropriately applied at the interface, will be presented. A series of beams (10 m long) have been tested under bending loads and strengthened conditions, by placing a pre-impregnated thin carbon (CFRP) laminate at the intrados. Different reinforcement configurations have been adopted in the beams (ordinary steel reinforcement and with addition of pre-stressed strands), using mechanical devices for the anchorage of the supplementary pre-tension of the strips. At local level, the simulation of possible lack of bonding during loading or intrinsic defects and imperfections has been contextually analysed on specifically dimensioned specimens. Different algorithms have been applied at the evaluation stage in order to estimate the defect size and location. Particularly, the extension of the delamination is estimate with a simple and robust algorithm. In facts, standards set the limit for acceptable defects, both in terms of number and size.

Shear banding leads to accelerated aging dynamics in a metallic glass

NASA Astrophysics Data System (ADS)

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.; Shin, Jeremy; Maaß, Robert

2018-01-01

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. Using site-specific x-ray photon correlation spectroscopy, we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretched exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. These insights highlight how a ubiquitous nanoscale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.

Shear banding leads to accelerated aging dynamics in a metallic glass

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

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. In this study, using site-specific x-ray photon correlation spectroscopy (XPCS), we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten-times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretchedmore » exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. Finally, these insights highlight how an ubiquitous nano-scale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.« less

Shear banding leads to accelerated aging dynamics in a metallic glass

DOE PAGES

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.; ...

2018-01-11

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. In this study, using site-specific x-ray photon correlation spectroscopy (XPCS), we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten-times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretchedmore » exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. Finally, these insights highlight how an ubiquitous nano-scale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.« less

Competition of the connectivity with the local and the global order in polymer melts and crystals

NASA Astrophysics Data System (ADS)

Bernini, S.; Puosi, F.; Barucco, M.; Leporini, D.

2013-11-01

The competition between the connectivity and the local or global order in model fully flexible chain molecules is investigated by molecular-dynamics simulations. States with both missing (melts) and high (crystal) global order are considered. Local order is characterized within the first coordination shell (FCS) of a tagged monomer and found to be lower than in atomic systems in both melt and crystal. The role played by the bonds linking the tagged monomer to FCS monomers (radial bonds), and the bonds linking two FCS monomers (shell bonds) is investigated. The detailed analysis in terms of Steinhardt's orientation order parameters Ql (l = 2 - 10) reveals that increasing the number of shell bonds decreases the FCS order in both melt and crystal. Differently, the FCS arrangements organize the radial bonds. Even if the molecular chains are fully flexible, the distribution of the angle formed by adjacent radial bonds exhibits sharp contributions at the characteristic angles θ ≈ 70°, 122°, 180°. The fractions of adjacent radial bonds with θ ≈ 122°, 180° are enhanced by the global order of the crystal, whereas the fraction with 70° ≲ θ ≲ 110° is nearly unaffected by the crystallization. Kink defects, i.e., large lateral displacements of the chains, are evidenced in the crystalline state.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Lattice distortion and electron charge redistribution induced by defects in graphene

DOE PAGES

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

2016-09-14

Lattice distortion and electronic charge localization induced by vacancy and embedded-atom defects in graphene were studied by tight-binding (TB) calculations using the recently developed three-center TB potential model. We showed that the formation energies of the defects are strongly correlated with the number of dangling bonds and number of embedded atoms, as well as the magnitude of the graphene lattice distortion induced by the defects. Lastly, we also showed that the defects introduce localized electronic states in the graphene which would affect the electron transport properties of graphene.

Ab initio phonon point defect scattering and thermal transport in graphene

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

Polanco, Carlos A.; Lindsay, Lucas R.

Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

Ab initio phonon point defect scattering and thermal transport in graphene

DOE PAGES

Polanco, Carlos A.; Lindsay, Lucas R.

2018-01-04

Here, we study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitudemore » smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (~ω 0) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. In conclusion, this work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.« less

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.

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.

Invisible defects in complex crystals

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

Longhi, Stefano, E-mail: stefano.longhi@fisi.polimi.it; Della Valle, Giuseppe

2013-07-15

We show that invisible localized defects, i.e. defects that cannot be detected by an outside observer, can be realized in a crystal with an engineered imaginary potential at the defect site. The invisible defects are synthesized by means of supersymmetric (Darboux) transformations of an ordinary crystal using band-edge wavefunctions to construct the superpotential. The complex crystal has an entire real-valued energy spectrum and Bragg scattering is not influenced by the defects. An example of complex crystal synthesis is presented for the Mathieu potential. -- Highlights: •We show the existence of invisible localized defects in complex crystals. •They turn out tomore » be fully invisible to Bloch waves belonging to any lattice band. •An example of invisible defect is presented for a PT-symmetric Mathieu crystal.« less

Effect of a spacer on localization of topological states in a Bragg multihelicoidal fiber with a twist defect

NASA Astrophysics Data System (ADS)

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

2018-01-01

We have studied the influence of a spacer introduced into a Bragg multihelicoidal fiber with a twist defect on the existence of defect-localized states. We have shown that in the presence of a Gaussian pump the energy of the electromagnetic field stored in topologically charged defect-localized modes essentially depends on the length of the spacer. We have demonstrated that by changing this length on the wavelength scale it is possible to strongly modulate such energy. This property can be used for generation and controlled emission of topologically charged light. We have also shown that if the value of an isotropic spacer’s refractive index deviates from the optimal value defined by the parameters of the multihelicoidal fiber parts the effect of localization disappears.

Anchoring of Heterochromatin to the Nuclear Lamina Reinforces Dosage Compensation-Mediated Gene Repression.

PubMed

Snyder, Martha J; Lau, Alyssa C; Brouhard, Elizabeth A; Davis, Michael B; Jiang, Jianhao; Sifuentes, Margarita H; Csankovszki, Györgyi

2016-09-01

Higher order chromosome structure and nuclear architecture can have profound effects on gene regulation. We analyzed how compartmentalizing the genome by tethering heterochromatic regions to the nuclear lamina affects dosage compensation in the nematode C. elegans. In this organism, the dosage compensation complex (DCC) binds both X chromosomes of hermaphrodites to repress transcription two-fold, thus balancing gene expression between XX hermaphrodites and XO males. X chromosome structure is disrupted by mutations in DCC subunits. Using X chromosome paint fluorescence microscopy, we found that X chromosome structure and subnuclear localization are also disrupted when the mechanisms that anchor heterochromatin to the nuclear lamina are defective. Strikingly, the heterochromatic left end of the X chromosome is less affected than the gene-rich middle region, which lacks heterochromatic anchors. These changes in X chromosome structure and subnuclear localization are accompanied by small, but significant levels of derepression of X-linked genes as measured by RNA-seq, without any observable defects in DCC localization and DCC-mediated changes in histone modifications. We propose a model in which heterochromatic tethers on the left arm of the X cooperate with the DCC to compact and peripherally relocate the X chromosomes, contributing to gene repression.

Anchoring of Heterochromatin to the Nuclear Lamina Reinforces Dosage Compensation-Mediated Gene Repression

PubMed Central

Brouhard, Elizabeth A.; Jiang, Jianhao; Sifuentes, Margarita H.

2016-01-01

Higher order chromosome structure and nuclear architecture can have profound effects on gene regulation. We analyzed how compartmentalizing the genome by tethering heterochromatic regions to the nuclear lamina affects dosage compensation in the nematode C. elegans. In this organism, the dosage compensation complex (DCC) binds both X chromosomes of hermaphrodites to repress transcription two-fold, thus balancing gene expression between XX hermaphrodites and XO males. X chromosome structure is disrupted by mutations in DCC subunits. Using X chromosome paint fluorescence microscopy, we found that X chromosome structure and subnuclear localization are also disrupted when the mechanisms that anchor heterochromatin to the nuclear lamina are defective. Strikingly, the heterochromatic left end of the X chromosome is less affected than the gene-rich middle region, which lacks heterochromatic anchors. These changes in X chromosome structure and subnuclear localization are accompanied by small, but significant levels of derepression of X-linked genes as measured by RNA-seq, without any observable defects in DCC localization and DCC-mediated changes in histone modifications. We propose a model in which heterochromatic tethers on the left arm of the X cooperate with the DCC to compact and peripherally relocate the X chromosomes, contributing to gene repression. PMID:27690361

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

Probing nanofriction and Aubry-type signatures in a finite self-organized system

PubMed Central

Kiethe, J.; Nigmatullin, R.; Kalincev, D.; Schmirander, T.; Mehlstäubler, T. E.

2017-01-01

Friction in ordered atomistic layers plays a central role in various nanoscale systems ranging from nanomachines to biological systems. It governs transport properties, wear and dissipation. Defects and incommensurate lattice constants markedly change these properties. Recently, experimental systems have become accessible to probe the dynamics of nanofriction. Here, we present a model system consisting of laser-cooled ions in which nanofriction and transport processes in self-organized systems with back action can be studied with atomic resolution. We show that in a system with local defects resulting in incommensurate layers, there is a transition from sticking to sliding with Aubry-type signatures. We demonstrate spectroscopic measurements of the soft vibrational mode driving this transition and a measurement of the order parameter. We show numerically that both exhibit critical scaling near the transition point. Our studies demonstrate a simple, well-controlled system in which friction in self-organized structures can be studied from classical- to quantum-regimes. PMID:28504271

Osteogenic effect of a gastric pentadecapeptide, BPC-157, on the healing of segmental bone defect in rabbits: a comparison with bone marrow and autologous cortical bone implantation.

PubMed

Sebecić, B; Nikolić, V; Sikirić, P; Seiwerth, S; Sosa, T; Patrlj, L; Grabarević, Z; Rucman, R; Petek, M; Konjevoda, P; Jadrijević, S; Perović, D; Slaj, M

1999-03-01

Gastrectomy often results in increased likelihood of osteoporosis, metabolic aberration, and risk of fracture, and there is a need for a gastric peptide with osteogenic activity. A novel stomach pentadecapeptide, BPC-157, improves wound and fracture healing in rats in addition to having an angiogenic effect. Therefore, in the present study, using a segmental osteoperiosteal bone defect (0.8 cm, in the middle of the left radius) that remained incompletely healed in all control rabbits for 6 weeks (assessed in 2 week intervals), pentadecapeptide BPC-157 was further studied (either percutaneously given locally [10 microg/kg body weight] into the bone defect, or applied intramuscularly [intermittently, at postoperative days 7, 9, 14, and 16 at 10 microg/kg body weight] or continuously [once per day, postoperative days 7-21 at 10 microg or 10 ng/kg body weight]). For comparison, rabbits percutaneously received locally autologous bone marrow (2 mL, postoperative day 7). As standard treatment, immediately after its formation, the bone defect was filled with an autologous cortical graft. Saline-treated (2 mL intramuscularly [i.m.] and 2 mL locally into the bone defect), injured animals were used as controls. Pentadecapeptide BPC-157 significantly improved the healing of segmental bone defects. For instance, upon radiographic assessment, the callus surface, microphotodensitometry, quantitative histomorphometry (10 microg/kg body weight i.m. for 14 days), or quantitative histomorphometry (10 ng/kg body weight i.m. for 14 days) the effect of pentadecapeptide BPC-157 was shown to correspond to improvement after local application of bone marrow or autologous cortical graft. Moreover, a comparison of the number of animals with unhealed defects (all controls) or healed defects (complete bony continuity across the defect site) showed that besides pentadecapeptide intramuscular application for 14 days (i.e., local application of bone marrow or autologous cortical graft), also following other pentadecapeptide BPC-157 regimens (local application, or intermittent intramuscular administration), the number of animals with healed defect was increased. Hopefully, in the light of the suggested stomach significance for bone homeostasis, the possible relevance of this pentadecapeptide BPC-157 effect (local or intramuscular effectiveness, lack of unwanted effects) could be a basis for methods of choice in the future management of healing impairment in humans, and requires further investigation.

Method to repair localized amplitude defects in a EUV lithography mask blank

DOEpatents

Stearns, Daniel G.; Sweeney, Donald W.; Mirkarimi, Paul B.; Chapman, Henry N.

2005-11-22

A method and apparatus are provided for the repair of an amplitude defect in a multilayer coating. A significant number of layers underneath the amplitude defect are undamaged. The repair technique restores the local reflectivity of the coating by physically removing the defect and leaving a wide, shallow crater that exposes the underlying intact layers. The particle, pit or scratch is first removed the remaining damaged region is etched away without disturbing the intact underlying layers.

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

PubMed

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

2015-11-11

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

Adjustment of localized alveolar ridge defects by soft tissue transplantation to improve mucogingival esthetics: a proposal for clinical classification and an evaluation of procedures.

PubMed

Studer, S; Naef, R; Schärer, P

1997-12-01

Esthetically correct treatment of a localized alveolar ridge defect is a frequent prosthetic challenge. Such defects can be overcome not only by a variety of prosthetic means, but also by several periodontal surgical techniques, notably soft tissue augmentations. Preoperative classification of the localized alveolar ridge defect can be greatly useful in evaluating the prognosis and technical difficulties involved. A semiquantitative classification, dependent on the severity of vertical and horizontal dimensional loss, is proposed to supplement the recognized qualitative classification of a ridge defect. Various methods of soft tissue augmentation are evaluated, based on initial volumetric measurements. The roll flap technique is proposed when the problem is related to ridge quality (single-tooth defect with little horizontal and vertical loss). Larger defects in which a volumetric problem must be solved are corrected through the subepithelial connective tissue technique. Additional mucogingival problems (eg, insufficient gingival width, high frenum, gingival scarring, or tattoo) should not be corrected simultaneously with augmentation procedures. In these cases, the onlay transplant technique is favored.

Ordered defects in Fe1-xS generate additional magnetic anisotropy symmetries

NASA Astrophysics Data System (ADS)

Koulialias, D.; Charilaou, M.; Schäublin, R.; Mensing, C.; Weidler, P. G.; Löffler, J. F.; Gehring, A. U.

2018-01-01

Non-stoichiometric monoclinic 4C pyrrhotite (Fe7S8), a ferrimagnetic monosulfide that has been intensively used as a remanence carrier to infer the magnetization of the Earth's crust and extraterrestrial materials, exhibits a characteristic low-temperature transition accompanied by complex modifications in anisotropy and magnetization. We demonstrate that the magnetic rotational symmetry of the 4C pyrrhotite is critically affected by the order of the defective Fe-sites, and this in turn is a key to decipher the physics behind the low-temperature transition. Our torque experiments and numerical simulations show an emergent four-fold rotational symmetry in the c-plane of the 4C pyrrhotite at T < 30 K. This symmetry breaking associated with the transition is caused by the competitive interaction of two inherently hexagonal systems generated by two groups of Fe-sites with different local anisotropy fields that stem from the vacancy arrangement in the 4C stacking sequence, and it is triggered by changes in the spin orbit coupling due to the overlap of Fe-Fe electron orbitals at low-temperature. This mechanism provides a new explanation for the magnetic transition in 4C pyrrhotite at low temperature and could also cast light on non-trivial magnetic phenomena in defective systems.

Coevolution between positive reciprocity, punishment, and partner switching in repeated interactions.

PubMed

Wubs, Matthias; Bshary, Redouan; Lehmann, Laurent

2016-06-15

Cooperation based on mutual investments can occur between unrelated individuals when they are engaged in repeated interactions. Individuals then need to use a conditional strategy to deter their interaction partners from defecting. Responding to defection such that the future payoff of a defector is reduced relative to cooperating with it is called a partner control mechanism. Three main partner control mechanisms are (i) to switch from cooperation to defection when being defected ('positive reciprocity'), (ii) to actively reduce the payoff of a defecting partner ('punishment'), or (iii) to stop interacting and switch partner ('partner switching'). However, such mechanisms to stabilize cooperation are often studied in isolation from each other. In order to better understand the conditions under which each partner control mechanism tends to be favoured by selection, we here analyse by way of individual-based simulations the coevolution between positive reciprocity, punishment, and partner switching. We show that random interactions in an unstructured population and a high number of rounds increase the likelihood that selection favours partner switching. In contrast, interactions localized in small groups (without genetic structure) increase the likelihood that selection favours punishment and/or positive reciprocity. This study thus highlights the importance of comparing different control mechanisms for cooperation under different conditions. © 2016 The Author(s).

Repair of localized defects in multilayer-coated reticle blanks for extreme ultraviolet lithography

DOEpatents

Stearns, Daniel G [Los Altos, CA; Sweeney, Donald W [San Ramon, CA; Mirkarimi, Paul B [Sunol, CA

2004-11-23

A method is provided for repairing defects in a multilayer coating layered onto a reticle blank used in an extreme ultraviolet lithography (EUVL) system. Using high lateral spatial resolution, energy is deposited in the multilayer coating in the vicinity of the defect. This can be accomplished using a focused electron beam, focused ion beam or a focused electromagnetic radiation. The absorbed energy will cause a structural modification of the film, producing a localized change in the film thickness. The change in film thickness can be controlled with sub-nanometer accuracy by adjusting the energy dose. The lateral spatial resolution of the thickness modification is controlled by the localization of the energy deposition. The film thickness is adjusted locally to correct the perturbation of the reflected field. For example, when the structural modification is a localized film contraction, the repair of a defect consists of flattening a mound or spreading out the sides of a depression.

Effects of microstructural defects on the performance of base-metal multilayer ceramic capacitors

NASA Astrophysics Data System (ADS)

Samantaray, Malay M.

Multilayer ceramic capacitors (MLCCs), owing to their processing conditions, can exhibit microstructure defects such as electrode porosity and roughness. The effect of such extrinsic defects on the electrical performance of these devices needs to be understood in order to achieve successful miniaturization into the submicron dielectric layer thickness regime. Specifically, the presence of non-planar and discontinuous electrodes can lead to local field enhancements while the relative morphologies of two adjacent electrodes determine variations in the local dielectric thickness. To study the effects of electrode morphologies, an analytical approach is taken to calculate the electric field enhancement and leakage current with respect to an ideal parallel-plate capacitor. Idealized electrode defects are used to simulate the electric field distribution. It is shown that the electrode roughness causes both the electric field and the leakage current to increase with respect to that of the ideal flat parallel-plate capacitor. Moreover, finite element methods are used to predict electric field enhancements by as high as 100% within capacitor structures containing rough interfaces and porosity. To understand the influence of microstructural defects on field distributions and leakage current, the real three-dimensional microstructure of local regions in MLCCs are reconstructed using a serial-sectioning technique in the focused ion beam. These microstructures are then converted into a finite element model in order to simulate the perturbations in electric field due to the presence of electrode defects. The electric field is three times the average value, and this leads to increase in current density of these devices. It is also shown that increasing sintering rates of MLCCs leads to improved electrode morphology with smoother more continuous electrodes, which in turn leads to a decrease in electric field enhancement and calculated leakage current density. To simulate scaling effects, the dielectric layer thickness is reduced from 2.0mum to 0.5mum in the three-dimensional microstructure keeping the same electrode morphology. It is seen that the effect of microstructure defects is more pronounced as one approaches thinner layers, leading to higher local electric field concentrations and a concomitant drop in insulation resistance. It is also seen that the electric field values are as high as 3.8 times the average field in termination regions due the disintegrated structure of the electrodes. In order to assess the effect of microstructure on MLCC performance, two sets of multilayer capacitors subjected to two vastly different sintering rates of 150ºC/hr and 3000ºC/hr are compared for their electrical properties. Capacitors with higher electrode continuity exhibit proportionally higher capacitance, provided the grain size distributions are similar. From the leakage current measurements, it is found that the Schottky barrier at the electrode-dielectric interface controls the conduction mechanism. This barrier height is calculated to be 1.06 eV for slow-fired MLCCs and was 1.15 for fast-fired MLCCs. This shows that high concentration of electrode defects cause field perturbations and subsequent drop in the net Schottky barrier height. These results are further supported by frequency-dependent impedance measurements. With temperature dependence behavior of current-voltage trends we note that below temperatures of 135°C, the conduction is controlled by interfacial effects, whereas at higher temperatures it is consistent with bulk-controlled space charge limited current for the samples that are highly reoxidized. The final part of this work studies the various aspects of the initial stages of degradation of MLCCs. MLCCs subjected to unipolar and bipolar degradation are studied for changes in microstructure and electrical properties. With bipolar degradation studies new insights into degradation are gained. First, the ionic accumulation with oxygen vacancies at cathodes is only partially reversible. This has implications on the controlling interface with electronic conduction. Also, it is shown that oxygen vacancy accumulation near the cathodes leads to a drop in insulation resistance. The capacitance also increases with progressive steps of degradation due to the effective thinning of dielectric layer. The reduction in interfacial resistance is also confirmed by impedance analysis. Finally, it is observed that on degradation, the dominant leakage current mechanism changes from being controlled by cathodic injection of electrons to being controlled by their anodic extraction. (Abstract shortened by UMI.)

Top and bottom surfaces limit carrier lifetime in lead iodide perovskite films

DOE PAGES

Yang, Ye; Yang, Mengjin; Moore, David T.; ...

2017-01-23

Carrier recombination at defects is detrimental to the performance of solar energy conversion systems, including solar cells and photoelectrochemical devices. Point defects are localized within the bulk crystal while extended defects occur at surfaces and grain boundaries. If not properly managed, surfaces can be a large source of carrier recombination. Separating surface carrier dynamics from bulk and/or grain-boundary recombination in thin films is challenging. Here, we employ transient reflection spectroscopy to measure the surface carrier dynamics in methylammonium lead iodide perovskite polycrystalline films. We find that surface recombination limits the total carrier lifetime in perovskite polycrystalline thin films, meaning thatmore » recombination inside grains and/or at grain boundaries is less important than top and bottom surface recombination. As a result, the surface recombination velocity in polycrystalline films is nearly an order of magnitude smaller than that in single crystals, possibly due to unintended surface passivation of the films during synthesis.« less

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

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

Nature and evolution of incommensurate charge order in manganites visualized with cryogenic scanning transmission electron microscopy.

PubMed

El Baggari, Ismail; Savitzky, Benjamin H; Admasu, Alemayehu S; Kim, Jaewook; Cheong, Sang-Wook; Hovden, Robert; Kourkoutis, Lena F

2018-02-13

Incommensurate charge order in hole-doped oxides is intertwined with exotic phenomena such as colossal magnetoresistance, high-temperature superconductivity, and electronic nematicity. Here, we map, at atomic resolution, the nature of incommensurate charge-lattice order in a manganite using scanning transmission electron microscopy at room temperature and cryogenic temperature ([Formula: see text]93 K). In diffraction, the ordering wave vector changes upon cooling, a behavior typically associated with incommensurate order. However, using real space measurements, we discover that the ordered state forms lattice-locked regions over a few wavelengths interspersed with phase defects and changing periodicity. The cations undergo picometer-scale ([Formula: see text]6 pm to 11 pm) transverse displacements, suggesting that charge-lattice coupling is strong. We further unearth phase inhomogeneity in the periodic lattice displacements at room temperature, and emergent phase coherence at 93 K. Such local phase variations govern the long-range correlations of the charge-ordered state and locally change the periodicity of the modulations, resulting in wave vector shifts in reciprocal space. These atomically resolved observations underscore the importance of lattice coupling and phase inhomogeneity, and provide a microscopic explanation for putative "incommensurate" order in hole-doped oxides. Copyright © 2018 the Author(s). Published by PNAS.

Method for localizing and isolating an errant process step

DOEpatents

Tobin, Jr., Kenneth W.; Karnowski, Thomas P.; Ferrell, Regina K.

2003-01-01

A method for localizing and isolating an errant process includes the steps of retrieving from a defect image database a selection of images each image having image content similar to image content extracted from a query image depicting a defect, each image in the selection having corresponding defect characterization data. A conditional probability distribution of the defect having occurred in a particular process step is derived from the defect characterization data. A process step as a highest probable source of the defect according to the derived conditional probability distribution is then identified. A method for process step defect identification includes the steps of characterizing anomalies in a product, the anomalies detected by an imaging system. A query image of a product defect is then acquired. A particular characterized anomaly is then correlated with the query image. An errant process step is then associated with the correlated image.

Free energy landscape and localization of nanoparticles at block copolymer model defects.

PubMed

Kim, Yongjoo; Chen, Hsieh; Alexander-Katz, Alfredo

2014-05-14

Nanoparticle localization in block copolymer model defects is studied using self-consistent field theory simulations. In particular we study the nanoparticle free energy landscape for three different model defects: X, T, Y shape defects. Our results indicate that nanoparticles can be strongly bound to certain locations in these defects. The symmetry of the defects affects in a non-trivial fashion the "stiffness of the trap", with the X shape defect displaying the deepest energy well. The T and Y defects exhibit orientations along which the potential energy well is rather shallow. Furthermore, we find that the free energy well is tunable by the size of the nanoparticles. Our results help to explain recent experimental observations in block copolymer templated assembly of nanoparticles. Furthermore, they may open new avenues to assemble arbitrary heterogeneous patterns with precise nanoparticle positions by carefully controlling the morphology of a block copolymer system by using directed self-assembly techniques.

Control of defect localization in crystalline wrinkling by curvature and topology

NASA Astrophysics Data System (ADS)

Lopez Jimenez, Francisco

We investigate the influence of curvature and topology on crystalline wrinkling patterns in generic elastic bilayers. Our numerical analysis predicts that the total number of defects created by adiabatic compression exhibits universal quadratic scaling for spherical, ellipsoidal and toroidal surfaces over a wide range of system sizes. However, both the localization of individual defects and the orientation of defect chains depend strongly on the local Gaussian curvature and its gradients across a surface. Our results imply that curvature and topology can be utilized to pattern defects in elastic materials, thus promising improved control over hierarchical bending, buckling or folding processes. Generally, this study suggests that bilayer systems provide an inexpensive yet valuable experimental test-bed for exploring the effects of geometrically induced forces on assemblies of topological charges. Joint work with Norbert Stoop, Romain Lagrange, Jorn Dunkel and Pedro M. Reis.

Rectifiability of Line Defects in Liquid Crystals with Variable Degree of Orientation

NASA Astrophysics Data System (ADS)

Alper, Onur

2018-04-01

In [2], H ardt, L in and the author proved that the defect set of minimizers of the modified Ericksen energy for nematic liquid crystals consists locally of a finite union of isolated points and Hölder continuous curves with finitely many crossings. In this article, we show that each Hölder continuous curve in the defect set is of finite length. Hence, locally, the defect set is rectifiable. For the most part, the proof closely follows the work of D e L ellis et al. (Rectifiability and upper minkowski bounds for singularities of harmonic q-valued maps, arXiv:1612.01813, 2016) on harmonic Q-valued maps. The blow-up analysis in A lper et al. (Calc Var Partial Differ Equ 56(5):128, 2017) allows us to simplify the covering arguments in [11] and locally estimate the length of line defects in a geometric fashion.

Defect dynamics and coarsening dynamics in smectic-C films

NASA Astrophysics Data System (ADS)

Pargellis, A. N.; Finn, P.; Goodby, J. W.; Panizza, P.; Yurke, B.; Cladis, P. E.

1992-12-01

We study the dynamics of defects generated in free-standing films of liquid crystals following a thermal quench from the smectic-A phase to the smectic-C phase. The defects are type-1 disclinations, and the strain field between defect pairs is confined to 2π walls. We compare our observations with a phenomenological model that includes dipole coupling of the director field to an external ordering field. This model is able to account for both the observed coalescence dynamics and the observed ordering dynamics. In the absence of an ordering field, our model predicts the defect density ρ to scale with time t as ρ lnρ~t-1. When the dipole coupling of the director field to an external ordering field is included, both the model and experiments show the defect coarsening proceeds as ρ~e-αt with the strain field confined to 2π walls. The external ordering field most likely arises from the director's tendency to align with edge dislocations within the liquid-crystal film.

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.

Online process monitoring at quasi-simultaneous laser transmission welding using a 3D-scanner with integrated pyrometer

NASA Astrophysics Data System (ADS)

Schmailzl, A.; Steger, S.; Dostalek, M.; Hierl, S.

2016-03-01

Quasi-simultaneous laser transmission welding is a well-known joining technique for thermoplastics and mainly used in the automotive as well as in the medical industry. For process control usually the so called set-path monitoring is used, where the weld is specified as "good" if the irradiation time is inside a defined confidence interval. However, the detection of small-sized gaps or thermal damaged zones is not possible with this technique. The analyzation of the weld seam temperature during welding offers the possibility to overcome this problem. In this approach a 3D-scanner is used instead of a scanner with flat-field optic. By using a pyrometer in combination with a 3D-scanner no color-corrected optic is needed in order to provide that laser- and detection-spot are concentric. Experimental studies on polyethylene T-joints have shown that the quality of the signal is adequate, despite the use of an optical setup with a long working distance and a small optical aperture. The effects on temperature are studied for defects like a gap in the joining zone. Therefore a notch was milled into the absorbent polymer. In case of producing housings for electronic parts the effect of an electrical wire between the joining partners is also investigated. Both defects can be identified by a local temperature deviation even at a feed rate of four meters per second. Furthermore a strategy for signal-processing is demonstrated. By this, remaining defects can be identified. Consequently an online detection of local defects is possible, which makes a dynamic process control feasible.

Hotspot detection using image pattern recognition based on higher-order local auto-correlation

NASA Astrophysics Data System (ADS)

Maeda, Shimon; Matsunawa, Tetsuaki; Ogawa, Ryuji; Ichikawa, Hirotaka; Takahata, Kazuhiro; Miyairi, Masahiro; Kotani, Toshiya; Nojima, Shigeki; Tanaka, Satoshi; Nakagawa, Kei; Saito, Tamaki; Mimotogi, Shoji; Inoue, Soichi; Nosato, Hirokazu; Sakanashi, Hidenori; Kobayashi, Takumi; Murakawa, Masahiro; Higuchi, Tetsuya; Takahashi, Eiichi; Otsu, Nobuyuki

2011-04-01

Below 40nm design node, systematic variation due to lithography must be taken into consideration during the early stage of design. So far, litho-aware design using lithography simulation models has been widely applied to assure that designs are printed on silicon without any error. However, the lithography simulation approach is very time consuming, and under time-to-market pressure, repetitive redesign by this approach may result in the missing of the market window. This paper proposes a fast hotspot detection support method by flexible and intelligent vision system image pattern recognition based on Higher-Order Local Autocorrelation. Our method learns the geometrical properties of the given design data without any defects as normal patterns, and automatically detects the design patterns with hotspots from the test data as abnormal patterns. The Higher-Order Local Autocorrelation method can extract features from the graphic image of design pattern, and computational cost of the extraction is constant regardless of the number of design pattern polygons. This approach can reduce turnaround time (TAT) dramatically only on 1CPU, compared with the conventional simulation-based approach, and by distributed processing, this has proven to deliver linear scalability with each additional CPU.

Localization of burn mark under an abnormal topography on MOSFET chip surface using liquid crystal and emission microscopy tools.

PubMed

Lau, C K; Sim, K S; Tso, C P

2011-01-01

This article focuses on the localization of burn mark in MOSFET and the scanning electron microscope (SEM) inspection on the defect location. When a suspect abnormal topography is shown on the die surface, further methods to pin-point the defect location is necessary. Fault localization analysis becomes important because an abnormal spot on the chip surface may and may not have a defect underneath it. The chip surface topography can change due to the catastrophic damage occurred at layers under the chip surface, but it could also be due to inconsistency during metal deposition in the wafer fabrication process. Two localization techniques, liquid crystal thermography and emission microscopy, were performed to confirm that the abnormal topography spot is the actual defect location. The tiny burn mark was surfaced by performing a surface decoration at the defect location using hot hydrochloric acid. SEM imaging, which has the high magnification and three-dimensional capabilities, was used to capture the images of the burn mark. Copyright © 2011 Wiley Periodicals, Inc.

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

Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.03–4.5 mol.%) crystals

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

Sidorov, Nikolay, E-mail: sidorov@chemy.kolasc.net.ru, E-mail: tepl-na@chemy.kolasc.net.ru, E-mail: fleischermed@gmail.com, E-mail: Jovial1985@yandex.ru, E-mail: palat-mn@chemy.kolasc.net.ru; Tepljakova, Natalja, E-mail: sidorov@chemy.kolasc.net.ru, E-mail: tepl-na@chemy.kolasc.net.ru, E-mail: fleischermed@gmail.com, E-mail: Jovial1985@yandex.ru, E-mail: palat-mn@chemy.kolasc.net.ru; Gabain, Aleksei, E-mail: sidorov@chemy.kolasc.net.ru, E-mail: tepl-na@chemy.kolasc.net.ru, E-mail: fleischermed@gmail.com, E-mail: Jovial1985@yandex.ru, E-mail: palat-mn@chemy.kolasc.net.ru

2014-11-14

Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.03–4.5 mol.%) crystals were searched by photoinduced light scattering and by Raman spectroscopy. The photorefractive effect depends on Zn{sup 2+} concentration nonmonotonically. Decrease of photorefractive effect is explained by decrease of structure defects with localized electrons. The Zn{sup 2+} cations replace structure defects Nb{sub Li} and Li{sub Nb}, trapping levels appear near the bottom of the conduction band and photo electrons recombine with emission under laser radiation. By the Raman spectra the area of the high structure order is found. In this area the own alternation, the alternation of impurity cations and themore » vacancies along the polar axis is almost perfect.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

DOE PAGES

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; ...

2017-11-14

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

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

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

NASA Astrophysics Data System (ADS)

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; Jensen, Mallory Ann; Morishige, Ashley E.; Lai, Barry; Hao, Ruiying; Ravi, T. S.; Buonassisi, Tonio

2018-02-01

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 104 cm-2), localized areas with a defect density > 105 cm-2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stacking faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. The impact of the defects on material performance and substrate re-use is also discussed.

Crafting ferromagnetism in Mn-doped MgO surfaces with p-type defects

PubMed Central

Panigrahi, Puspamitra; Araujo, C Moyses; Hussen, Tanveer; Ahuja, Rajeev

2014-01-01

We have employed first-principles calculations based on density functional theory (DFT) to investigate the underlying physics of unusual magnetism in Mn-doped MgO surface. We have studied two distinct scenarios. In the first one, two Mn atoms are substitutionally added to the surface, occupying the Mg sites. Both are stabilized in the Mn valence state carrying a local moment of 4.3 having a high-spin configuration. The magnetic interaction between the local moments display a very short-ranged characteristic, decaying very quickly with distance, and having antiferromagnetic ordering lower in energy. The energetics analysis also indicates that the Mn ions prefer to stay close to each other with an oxygen atom bridging the local interaction. In the second scenario, we started exploring the effect of native defects on the magnetism by crafting both Mg and O vacancies, which are p- and n-type defects, respectively. It is found that the electrons and holes affect the magnetic interaction between Mn ions in a totally different manner. The n-type defect leads to very similar magnetism, with the AFM configuration being energetically preferred. However, in the presence of Mg vacancy, the situation is quite different. The Mn atoms are further oxidized, giving rise to mixed Mn(d) ionic states. As a consequence, the Mn atoms couple ferromagnetically, when placed in the close configuration, and the obtained electronic structure is coherent with the double-exchange type of magnetic interaction. To guarantee the robustness of our results, we have benchmarked our calculations with three distinct theory levels, namely DFT-GGA, DFT-GGA+U and DFT-hybrid functionals. On the surface, the Mg vacancy displays lower formation energy occurring at higher concentrations. Therefore, our model systems can be the basis to explain a number of controversial results regarding transition metal doped oxides. PMID:27877684

Suppressed Superconductivity on the Surface of Superconducting RF Quality Niobium for Particle Accelerating Cavities

NASA Astrophysics Data System (ADS)

Sung, Z. H.; Polyanskii, A. A.; Lee, P. J.; Gurevich, A.; Larbalestier, D. C.

2011-03-01

Significant performance degradation of superconducting RF (radio frequency) niobium cavities in high RF field is strongly associated with the breakdown of superconductivity on localized multi-scale surface defects lying within the 40 nm penetration depth. These defects may be on the nanometer scale, like grain boundaries and dislocations or even at the much larger scale of surface roughness and welding pits. By combining multiple superconducting characterization techniques including magneto-optical (MO) imaging and direct transport measurement with non-contact characterization of the surface topology using scanning confocal microscopy, we were able to show clear evidence of suppression of surface superconductivity at chemically treated RF-quality niobium. We found that pinning of vortices along GBs is weaker than pinning of vortices in the grains, which may indicate suppressed superfluid density on GBs. We also directly measured the local magnetic characteristics of BCP-treated Nb sample surface using a micro-Hall sensor in order to further understanding of the effect of surface topological features on the breakdown of superconducting state in RF mode.

Enhancing superconducting critical current by randomness

DOE PAGES

Wang, Y. L.; Thoutam, L. R.; Xiao, Z. L.; ...

2016-01-11

The key ingredient of high critical currents in a type-II superconductor is defect sites that pin vortices. Here, we demonstrate that a random pinscape, an overlooked pinning system in nanopatterned superconductors, can lead to a substantially larger critical current enhancement at high magnetic fields than an ordered array of vortex pin sites. We reveal that the better performance of a random pinscape is due to the variation of the local density of its pinning sites, which mitigates the motion of vortices. This is confirmed by achieving even higher enhancement of the critical current through a conformally mapped random pinscape, wheremore » the distribution of the local density of pinning sites is further enlarged. Our findings highlight the potential of random pinscapes in enhancing the superconducting critical currents of applied superconductors in which random pin sites of nanoscale defects emerging in the materials synthesis process or through ex-situ irradiation are the only practical choice for large-scale production. Our results may also stimulate research on effects of a random pinscape in other complementary systems such as colloidal crystals, Bose-Einstein condensates, and Luttinger liquids.« less

Nondestructive testing of thin films using surface acoustic waves and laser ultrasonics

NASA Astrophysics Data System (ADS)

Jenot, Frédéric; Fourez, Sabrina; Ouaftouh, Mohammadi; Duquennoy, Marc

2018-04-01

Thin films are widely used in many fields such as electronics, optics or materials science. For example, they find applications in thermal or mechanical sensors design. They are also very useful as protective or reinforcement layers for many structures. However, some coating defects such as thickness variations, microfissuring or poor adhesion are common problems. Therefore, nondestructive testing of these structures using acoustic waves generated and detected by lasers represents a major interest. Indeed, in comparison with conventional methods based on the use of piezoelectric transducers, laser ultrasonics leads to non-contact investigations with a large bandwidth. Usually, bulk acoustic waves are used and a pulse-echo technique is considered that needs high frequencies and implies local measurements. In order to avoid this limitation, we propose to use surface acoustic waves in a frequency range up to 45 MHz. The samples consist of a micrometric gold layer deposited on silicon substrates. In a first part, using dispersion analysis, theoretical and experimental results clearly reveal that the first Rayleigh mode allows the detection of film thickness variations and open cracks. In a second part, a localized adhesion defect is introduced in a similar sample. The effects of such a flaw on the Rayleigh modes dispersion curves are theoretically described. Finally, we experimentally show that the first Rayleigh mode allows the defect detection only under specific conditions.

Directed polymers on a disordered tree with a defect subtree

NASA Astrophysics Data System (ADS)

Madras, Neal; Yıldırım, Gökhan

2018-04-01

We study the question of how the competition between bulk disorder and a localized microscopic defect affects the macroscopic behavior of a system in the directed polymer context at the free energy level. We consider the directed polymer model on a disordered d-ary tree and represent the localized microscopic defect by modifying the disorder distribution at each vertex in a single path (branch), or in a subtree, of the tree. The polymer must choose between following the microscopic defect and finding the best branches through the bulk disorder. We describe three possible phases, called the fully pinned, partially pinned and depinned phases. When the microscopic defect is associated only with a single branch, we compute the free energy and the critical curve of the model, and show that the partially pinned phase does not occur. When the localized microscopic defect is associated with a non-disordered regular subtree of the disordered tree, the picture is more complicated. We prove that all three phases are non-empty below a critical temperature, and that the partially pinned phase disappears above the critical temperature.

Templates Aid Removal Of Defects From Castings

NASA Technical Reports Server (NTRS)

Hendrickson, Robert G.

1992-01-01

Templates used to correlate defects in castings with local wall thicknesses. Placed on part to be inspected after coated with penetrant dye. Positions of colored spots (indicative of defects) noted. Ultrasonic inspector measures thickness of wall at unacceptable defects only - overall inspection not necessary.

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 local strength of individual alumina particles

NASA Astrophysics Data System (ADS)

Pejchal, Václav; Fornabaio, Marta; Žagar, Goran; Mortensen, Andreas

2017-12-01

We implement the C-shaped sample test method and micro-cantilever beam testing to measure the local strength of microscopic, low-aspect-ratio ceramic particles, namely high-purity vapor grown α-alumina Sumicorundum® particles 15-30 μm in diameter, known to be attractive reinforcing particles for aluminum. Individual particles are shaped by focused ion beam micromachining so as to probe in tension a portion of the particle surface that is left unaffected by ion-milling. Mechanical testing of C-shaped specimens is done ex-situ using a nanoindentation apparatus, and in the SEM using an in-situ nanomechanical testing system for micro-cantilever beams. The strength is evaluated for each individual specimen using bespoke finite element simulation. Results show that, provided the particle surface is free of readily observable defects such as pores, twins or grain boundaries and their associated grooves, the particles can achieve local strength values that approach those of high-perfection single-crystal alumina whiskers, on the order of 10 GPa, outperforming high-strength nanocrystalline alumina fibers and nano-thick alumina platelets used in bio-inspired composites. It is also shown that by far the most harmful defects are grain boundaries, leading to the general conclusion that alumina particles must be single-crystalline or alternatively nanocrystalline to fully develop their potential as a strong reinforcing phase in composite materials.

Modeling of dislocation channel width evolution in irradiated metals

DOE PAGES

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2017-11-08

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

Modeling of dislocation channel width evolution in irradiated metals

NASA Astrophysics Data System (ADS)

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2018-02-01

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Further, examinations of the effect of the so-called "source-broadening" mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.

Modeling of dislocation channel width evolution in irradiated metals

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

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

Direct observation of local magnetic properties in strain engineered lanthanum cobaltate thin films

NASA Astrophysics Data System (ADS)

Park, S.; Wu, Weida; Freeland, J. W.; Ma, J. X.; Shi, J.

2009-03-01

Strain engineered thin film devices with emergent properties have significant impacts on both technical application and material science. We studied strain-induced modification of magnetic properties (Co spin state) in epitaxially grown lanthanum cobaltate (LaCoO3) thin films with a variable temperature magnetic force microscopy (VT-MFM). The real space observation confirms long range magnetic ordering on a tensile-strained film and non-magnetic low-spin configuration on a low-strained film at low temperature. Detailed study of local magnetic properties of these films under various external magnetic fields will be discussed. Our results also demonstrate that VT-MFM is a very sensitive tool to detect the nanoscale strain induced magnetic defects.

Anderson localization of graphene by helium ion irradiation

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

Naitou, Y., E-mail: yu-naitou@aist.go.jp; Ogawa, S.

Irradiation of a single-layer graphene (SLG) with accelerated helium ions (He{sup +}) controllably generates defect distributions, which create a charge carrier scattering source within the SLG. We report direct experimental observation of metal-insulator transition in SLG on SiO{sub 2}/Si substrates induced by Anderson localization. This transition was investigated using scanning capacitance microscopy by monitoring the He{sup +} dose conditions on the SLG. The experimental data show that a defect density of more than ∼1.2% induced Anderson localization. We also investigated the localization length by determining patterned placement of the defects and estimated the length to be several dozen nanometers. Thesemore » findings provide valuable insight for patterning and designing graphene-based nanostructures using helium ion microscopy.« less

Potential Fluctuations and Localization Effects in CZTS Single Crystals, as Revealed by Optical Spectroscopy

NASA Astrophysics Data System (ADS)

Bleuse, Joël; Ducroquet, Frédérique; Mariette, Henri

2018-03-01

Reports on Cu_2 ZnSn(S_x Se_{1-x} )_4 (CZTSSe) solar cell devices all show an open-circuit voltage lower than expected, especially when compared to CuIn_x Ga_{1-x} (S,Se)_2 devices, which reduces their power efficiency and delays their development. A high concentration of intrinsic defects in CZTSSe, and their stabilization through neutral complex formation, which induces some local fluctuations, are at the origin of local energy shifts in the conduction and valence band edges. The implied band tail in Cu_2 ZnSnS_4 is studied in this work by combining three types of optical spectroscopy data: emission spectra compared to photoluminescence excitation spectroscopy, emission spectra as a function of excitation power, and time-resolved photoluminescence spectra. All these data converge to show that both the bandgap and the band tail of localized states just below are dependent on the degree of order/disorder in the Cu/Zn cation sublattice of the quaternary structure: in the more ordered structures, the bandgap increases by about 50 meV, and the energy range of the band tail is decreased from about 110 to 70 meV.

Geometry and mechanics of two-dimensional defects in amorphous materials

PubMed Central

Moshe, Michael; Levin, Ido; Aharoni, Hillel; Kupferman, Raz; Sharon, Eran

2015-01-01

We study the geometry of defects in amorphous materials and their elastic interactions. Defects are defined and characterized by deviations of the material’s intrinsic metric from a Euclidian metric. This characterization makes possible the identification of localized defects in amorphous materials, the formulation of a corresponding elastic problem, and its solution in various cases of physical interest. We present a multipole expansion that covers a large family of localized 2D defects. The dipole term, which represents a dislocation, is studied analytically and experimentally. Quadrupoles and higher multipoles correspond to fundamental strain-carrying entities. The interactions between those entities, as well as their interaction with external stress fields, are fundamental to the inelastic behavior of solids. We develop analytical tools to study those interactions. The model, methods, and results presented in this work are all relevant to the study of systems that involve a distribution of localized sources of strain. Examples are plasticity in amorphous materials and mechanical interactions between cells on a flexible substrate. PMID:26261331

Localized states in advanced dielectrics from the vantage of spin- and symmetry-polarized tunnelling across MgO.

PubMed

Schleicher, F; Halisdemir, U; Lacour, D; Gallart, M; Boukari, S; Schmerber, G; Davesne, V; Panissod, P; Halley, D; Majjad, H; Henry, Y; Leconte, B; Boulard, A; Spor, D; Beyer, N; Kieber, C; Sternitzky, E; Cregut, O; Ziegler, M; Montaigne, F; Beaurepaire, E; Gilliot, P; Hehn, M; Bowen, M

2014-08-04

Research on advanced materials such as multiferroic perovskites underscores promising applications, yet studies on these materials rarely address the impact of defects on the nominally expected materials property. Here, we revisit the comparatively simple oxide MgO as the model material system for spin-polarized solid-state tunnelling studies. We present a defect-mediated tunnelling potential landscape of localized states owing to explicitly identified defect species, against which we examine the bias and temperature dependence of magnetotransport. By mixing symmetry-resolved transport channels, a localized state may alter the effective barrier height for symmetry-resolved charge carriers, such that tunnelling magnetoresistance decreases most with increasing temperature when that state is addressed electrically. Thermal excitation promotes an occupancy switchover from the ground to the excited state of a defect, which impacts these magnetotransport characteristics. We thus resolve contradictions between experiment and theory in this otherwise canonical spintronics system, and propose a new perspective on defects in dielectrics.

Millisecond ordering of block-copolymer films via photo-thermal gradients

DOE PAGES

Majewski, Pawel W.; Yager, Kevin G.

2015-03-12

For the promise of self-assembly to be realized, processing techniques must be developed that simultaneously enable control of the nanoscale morphology, rapid assembly, and, ideally, the ability to pattern the nanostructure. Here, we demonstrate how photo-thermal gradients can be used to control the ordering of block-copolymer thin films. Highly localized laser heating leads to intense thermal gradients, which induce a thermophoretic force on morphological defects. This increases the ordering kinetics by at least 3 orders-of-magnitude, compared to conventional oven annealing. By simultaneously exploiting the thermal gradients to induce shear fields, we demonstrate uniaxial alignment of a block-copolymer film in lessmore » than a second. Finally, we provide examples of how control of the incident light-field can be used to generate prescribed configurations of block-copolymer nanoscale patterns.« less

Quench in the 1D Bose-Hubbard model: Topological defects and excitations from the Kosterlitz-Thouless phase transition dynamics

PubMed Central

Dziarmaga, Jacek; Zurek, Wojciech H.

2014-01-01

Kibble-Zurek mechanism (KZM) uses critical scaling to predict density of topological defects and other excitations created in second order phase transitions. We point out that simply inserting asymptotic critical exponents deduced from the immediate vicinity of the critical point to obtain predictions can lead to results that are inconsistent with a more careful KZM analysis based on causality – on the comparison of the relaxation time of the order parameter with the “time distance” from the critical point. As a result, scaling of quench-generated excitations with quench rates can exhibit behavior that is locally (i.e., in the neighborhood of any given quench rate) well approximated by the power law, but with exponents that depend on that rate, and that are quite different from the naive prediction based on the critical exponents relevant for asymptotically long quench times. Kosterlitz-Thouless scaling (that governs e.g. Mott insulator to superfluid transition in the Bose-Hubbard model in one dimension) is investigated as an example of this phenomenon. PMID:25091996

Alternating phase-shifting masks: phase determination and impact of quartz defects--theoretical and experimental results

NASA Astrophysics Data System (ADS)

Griesinger, Uwe A.; Dettmann, Wolfgang; Hennig, Mario; Heumann, Jan P.; Koehle, Roderick; Ludwig, Ralf; Verbeek, Martin; Zarrabian, Mardjan

2002-07-01

In optical lithography balancing the aerial image of an alternating phase shifting mask (alt. PSM) is a major challenge. For the exposure wavelengths (currently 248nm and 193nm) an optimum etching method is necessary to overcome imbalance effects. Defects play an important role in the imbalances of the aerial image. In this contribution defects will be discussed by using the methodology of global phase imbalance control also for local imbalances which are a result of quartz defects. The effective phase error can be determined with an AIMS-system by measuring the CD width between the images of deep- and shallow trenches at different focus settings. The AIMS results are analyzed in comparison to the simulated and lithographic print results of the alternating structures. For the analysis of local aerial image imbalances it is necessary to investigate the capability of detecting these phase defects with state of the art inspection systems. Alternating PSMs containing programmed defects were inspected with different algorithms to investigate the capture rate of special phase defects in dependence on the defect size. Besides inspection also repair of phase defects is an important task. In this contribution we show the effect of repair on the optical behavior of phase defects. Due to the limited accuracy of the repair tools the repaired area still shows a certain local phase error. This error can be caused either by residual quartz material or a substrate damage. The influence of such repair induced phase errors on the aerial image were investigated.

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

Spencer, B. W.; Williamson, R. L.; Stafford, D. S.

One of the important roles of cladding in light water reactor fuel rods is to prevent the release of fission products. To that end, it is essential that the cladding maintain its integrity under a variety of thermal and mechanical loading conditions. Local geometric irregularities in fuel pellets caused by manufacturing defects known as missing pellet surfaces (MPS) can in some circumstances lead to elevated cladding stresses that are sufficiently high to cause cladding failure. Accurate modeling of these defects can help prevent these types of failures. The BISON nuclear fuel performance code developed at Idaho National Laboratory can bemore » used to simulate the global thermo-mechanical fuel rod behavior, as well as the local response of regions of interest, in either 2D or 3D. In either case, a full set of models to represent the thermal and mechanical properties of the fuel, cladding and plenum gas is employed. A procedure for coupling 2D full-length fuel rod models to detailed 3D models of the region of the rod containing a MPS defect is detailed in this paper. The global and local model each contain appropriate physics and behavior models for nuclear fuel. This procedure is demonstrated on a simulation of a boiling water reactor (BWR) fuel rod containing a pellet with an MPS defect, subjected to a variety of transient events, including a control blade withdrawal and a ramp to high power. The importance of modeling the local defect using a 3D model is highlighted by comparing 3D and 2D representations of the defective pellet region. Finally, parametric studies demonstrate the effects of the choice of gaseous swelling model and of the depth and geometry of the MPS defect on the response of the cladding adjacent to the defect.« less

Hot cracking of Structural Steel during Laser Welding

NASA Astrophysics Data System (ADS)

Pineda Huitron, Rosa M.; Vuorinen, Esa

2017-10-01

Laser welding is an important technique in many industries due to its high precision in operation, its local and fast processing, narrow welds and its good weld surface quality. However, the process can involve some complications due to the rapid heating and cooling of the material processed, resulting in physical and metallurgical effects as thermal contraction during solidification, giving as a result the presence of residual stresses in the narrow weld. Formation of defects during the process is an important topic to be evaluated in order to achieve better performance of the steels in use. In the present work, defects formed during laser welding of a structural steel have been investigated. The defects formed have been identified and the causes of the defects are discussed. Possible strategies for improvement of the welding procedure and final weld result are proposed. The defects were analysed by optical and scanning electron microscopy and hardness measurement. Cracks were located in the middle of the fusion zone and followed both inter-granular and trans-granular paths. Impurities as manganese sulphides were found along the welding direction, and could act as sites for crack formation. The cracks formed during solidification of the weld are identified as solidification cracks. This kind of cracks is usually caused by solidification shrinkage and thermal contractions during the process, which appear in the fusion zone and sometimes in the heat affected zone.

Local and transient nanoscale strain mapping during in situ deformation

DOE PAGES

Gammer, C.; Kacher, J.; Czarnik, C.; ...

2016-08-26

The mobility of defects such as dislocations controls the mechanical properties of metals. This mobility is determined both by the characteristics of the defect and the material, as well as the local stress and strain applied to the defect. Therefore, the knowledge of the stress and strain during deformation at the scale of defects is important for understanding fundamental deformation mechanisms. In this paper, we demonstrate a method of measuring local stresses and strains during continuous in situ deformation with a resolution of a few nanometers using nanodiffraction strain mapping. Finally, our results demonstrate how large multidimensional data sets capturedmore » with high speed electron detectors can be analyzed in multiple ways after an in situ TEM experiment, opening the door for true multimodal analysis from a single electron scattering experiment.« less

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

NASA Astrophysics Data System (ADS)

Wang, Xuejuan; Wu, Shuhang; Liu, Yunpeng

2018-04-01

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

Microbiological profile and potential hazards associated with imported and local brands of tomato paste in Nigeria.

PubMed

Efiuvwevwere, B J; Atirike, O I

1998-03-01

Cans of three tomato paste brands (two of which are imported and one produced locally) showing defective or normal appearance were purchased from various retail outlets and analysed for microbial composition and pH values. Substantially higher total viable counts were observed in samples from defective cans but the lowest population was found in the local brand. Ratio of mesophilic to thermophilic micro-organisms increased in samples obtained from cans showing visible defects. Anaerobic spore counts were higher than the aerobic population in both normal and defective cans, but the counts varied with the brands. Four dominant bacterial genera (Bacillus, Clostridium, Lactobacillus and Leuconostoc) were isolated from the samples with the greater proportion being spore-formers. Percentage occurrence of Clostridium thermosaccharolyticum was appreciably higher in samples from defective cans while a preponderance of Lactobacillus occurred in samples from normal cans. Of the moulds isolated, Absidia and Aspergillus fumigatus showed a higher percentage in defective cans. pH values higher than the critical safe level of 4.6 were found in cans with visible defects and greater microbial diversity with higher microbial load was more often associated with these samples. Imported brands showed more undesirable microbial quality and pH values, making them potentially hazardous.

Possible association of first and high birth order of pregnant women with the risk of isolated congenital abnormalities in Hungary - a population-based case-matched control study.

PubMed

Csermely, Gyula; Susánszky, Éva; Czeizel, Andrew E; Veszprémi, Béla

2014-08-01

In epidemiological studies at the estimation of risk factors in the origin of specified congenital abnormalities in general birth order (parity) is considered as confounder. The aim of this study was to analyze the possible association of first and high (four or more) birth order with the risk of congenital abnormalities in a population-based case-matched control data set. The large dataset of the Hungarian Case-Control Surveillance of Congenital Abnormalities included 21,494 cases with different isolated congenital abnormality and their 34,311 matched controls. First the distribution of birth order was compared of 24 congenital abnormality groups and their matched controls. In the second step the possible association of first and high birth order with the risk of congenital abnormalities was estimated. Finally some subgroups of neural-tube defects, congenital heart defects and abdominal wall's defects were evaluated separately. A higher risk of spina bifida aperta/cystica, esophageal atresia/stenosis and clubfoot was observed in the offspring of primiparous mothers. Of 24 congenital abnormality groups, 14 had mothers with larger proportion of high birth order. Ear defects, congenital heart defects, cleft lip± palate and obstructive defects of urinary tract had a linear trend from a lower proportion of first born cases to the larger proportion of high birth order. Birth order showed U-shaped distribution of neural-tube defects and clubfoot, i.e. both first and high birth order had a larger proportion in cases than in their matched controls. Birth order is a contributing factor in the origin of some isolated congenital abnormalities. The higher risk of certain congenital abnormalities in pregnant women with first or high birth order is worth considering in the clinical practice, e.g. ultrasound scanning. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Ligand field splittings in core level transitions for transition metal (TM) oxides: Tanabe-Sugano diagrams and (TM) dangling bonds in vacated O-atom defects

NASA Astrophysics Data System (ADS)

Lucovsky, Gerry; Wu, Kun; Pappas, Brian; Whitten, Jerry

2013-04-01

Defect states in the forbidden band-gap below the conduction band edge are active as electron traps in nano-grain high-) transition metal (TM) oxides with thickness >0.3 nm, e.g., ZrO2 and HfO2. These oxides have received considerable attention as gate-dielectrics in complementary metal oxide semiconductor (CMOS) devices, and more recently are emerging as candidates for charge storage and memory devices. To provide a theoretical basis for device functionality, ab-initio many-electron theory is combined with X-ray absorption spectroscopy (XAS) to study O K edge and TM core level transitions. These studies identify ligand field splittings (ΔLF) for defect state features,. When compared with those obtained from O-atom and TM-atom core spectroscopic transitions, this provides direct information about defect state sun-nm bonding arrangements. comparisons are made for (i) elemental TiO2 and Ti2O3 with different formal ionic charges, Ti4+ and Ti3+ and for (ii) Magneli Phase alloys, TinO2n-1, n is an integer 9>=n>3, and (TiO2)x(HfO2)1-x alloys. The alloys display multi-valent behavior from (i) different ionic-charge states, (ii} local bond-strain, and (iii) metallic hopping transport. The intrinsic bonding defects in TM oxides are identified as pairs of singly occupied dangling bonds. For 6-fold coordinated Ti-oxides defect excited states in 2nd derivative O K pre-edge spectra are essentially the same as single Ti-atom d2 transitions in Tanabe-Sugano (T-S) diagrams. O-vacated site defects in 8-fold coordinated ZrO2 and HfO2 are described by d8 T-S diagrams. T-S defect state ordering and splittings are functions of the coordination and symmetry of vacated site bordering TM atoms. ΔLF values from the analysis of T-S diagrams indicate medium range order (MRO) extending to 3rd and 4th nearest-neighbor (NN) TM-atoms. Values are different for 6-fold Ti, and 8-fold ZrO2 and HfO2, and scale inversely with differences in respective formal ionic radii. O-vacated site bonding defects in TM nano-grain oxides are qualitatively similar to vacant-site defects in non-crystalline SiO2 and GeO2 for ulta-thin films, < 0.2 nm thick, and yield similar performance in MOSCAPs on Ge substrates heralding applications in aggressively-scale CMOS devices.

Interplay of defect doping and Bernal-Fowler rules: A simulation study of the dynamics on ice lattices

NASA Astrophysics Data System (ADS)

Köster, K. W.; Klocke, T.; Wieland, F.; Böhmer, R.

2017-10-01

Protonic defects on ice lattices induced by doping with acids such as HCl and HF or bases such as KOH can facilitate order-disorder transitions. In laboratory experiments KOH doping is efficient in promoting the ordering transition from hexagonal ice I to ice XI, but it is ineffective for other known ice phases, for which HCl can trigger hydrogen ordering. Aiming at understanding these differences, random-walk simulations of the defect diffusion are performed on two- and three-dimensional ice lattices under the constraints imposed by the Bernal-Fowler ice rules. Effective defect diffusion coefficients are calculated for a range of dopants, concentrations, and ice phases. The interaction of different defects, incorporated by different dopants, is investigated to clarify the particular motion-enhancing role played by complementary defect pairs.

Study of lattice defect vibration

NASA Technical Reports Server (NTRS)

Elliott, R. J.

1969-01-01

Report on the vibrations of defects in crystals relates how defects, well localized in a crystal but interacting strongly with the other atoms, change the properties of a perfect crystal. The methods used to solve defect problems relate the properties of an imperfect lattice to the properties of a perfect lattice.

Identification of a limiting mechanism in GaSb-rich superlattice midwave infrared detector

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

Delmas, Marie; Rodriguez, Jean-Baptiste; Rossignol, Rémi

2016-05-07

GaSb-rich superlattice (SL) p-i-n photodiodes grown by molecular beam epitaxy were studied theoretically and experimentally in order to understand the poor dark current characteristics typically obtained. This behavior, independent of the SL-grown material quality, is usually attributed to the presence of defects due to Ga-related bonds, limiting the SL carrier lifetime. By analyzing the photoresponse spectra of reverse-biased photodiodes at 80 K, we have highlighted the presence of an electric field, breaking the minibands into localized Wannier-Stark states. Besides the influence of defects in such GaSb-rich SL structures, this electric field induces a strong tunneling current at low bias which canmore » be the main limiting mechanism explaining the high dark current density of the GaSb-rich SL diode.« less

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

Optimal lot sizing in screening processes with returnable defective items

NASA Astrophysics Data System (ADS)

Vishkaei, Behzad Maleki; Niaki, S. T. A.; Farhangi, Milad; Rashti, Mehdi Ebrahimnezhad Moghadam

2014-07-01

This paper is an extension of Hsu and Hsu (Int J Ind Eng Comput 3(5):939-948, 2012) aiming to determine the optimal order quantity of product batches that contain defective items with percentage nonconforming following a known probability density function. The orders are subject to 100 % screening process at a rate higher than the demand rate. Shortage is backordered, and defective items in each ordering cycle are stored in a warehouse to be returned to the supplier when a new order is received. Although the retailer does not sell defective items at a lower price and only trades perfect items (to avoid loss), a higher holding cost incurs to store defective items. Using the renewal-reward theorem, the optimal order and shortage quantities are determined. Some numerical examples are solved at the end to clarify the applicability of the proposed model and to compare the new policy to an existing one. The results show that the new policy provides better expected profit per time.

The Business Case for Automated Software Engineering

NASA Technical Reports Server (NTRS)

Menzies, Tim; Elrawas, Oussama; Hihn, Jairus M.; Feather, Martin S.; Madachy, Ray; Boehm, Barry

2007-01-01

Adoption of advanced automated SE (ASE) tools would be more favored if a business case could be made that these tools are more valuable than alternate methods. In theory, software prediction models can be used to make that case. In practice, this is complicated by the 'local tuning' problem. Normally. predictors for software effort and defects and threat use local data to tune their predictions. Such local tuning data is often unavailable. This paper shows that assessing the relative merits of different SE methods need not require precise local tunings. STAR 1 is a simulated annealer plus a Bayesian post-processor that explores the space of possible local tunings within software prediction models. STAR 1 ranks project decisions by their effects on effort and defects and threats. In experiments with NASA systems. STARI found one project where ASE were essential for minimizing effort/ defect/ threats; and another project were ASE tools were merely optional.

3D modeling of missing pellet surface defects in BWR fuel

DOE PAGES

Spencer, B. W.; Williamson, R. L.; Stafford, D. S.; ...

2016-07-26

One of the important roles of cladding in light water reactor fuel rods is to prevent the release of fission products. To that end, it is essential that the cladding maintain its integrity under a variety of thermal and mechanical loading conditions. Local geometric irregularities in fuel pellets caused by manufacturing defects known as missing pellet surfaces (MPS) can in some circumstances lead to elevated cladding stresses that are sufficiently high to cause cladding failure. Accurate modeling of these defects can help prevent these types of failures. The BISON nuclear fuel performance code developed at Idaho National Laboratory can bemore » used to simulate the global thermo-mechanical fuel rod behavior, as well as the local response of regions of interest, in either 2D or 3D. In either case, a full set of models to represent the thermal and mechanical properties of the fuel, cladding and plenum gas is employed. A procedure for coupling 2D full-length fuel rod models to detailed 3D models of the region of the rod containing a MPS defect is detailed in this paper. The global and local model each contain appropriate physics and behavior models for nuclear fuel. This procedure is demonstrated on a simulation of a boiling water reactor (BWR) fuel rod containing a pellet with an MPS defect, subjected to a variety of transient events, including a control blade withdrawal and a ramp to high power. The importance of modeling the local defect using a 3D model is highlighted by comparing 3D and 2D representations of the defective pellet region. Finally, parametric studies demonstrate the effects of the choice of gaseous swelling model and of the depth and geometry of the MPS defect on the response of the cladding adjacent to the defect.« less

Maternal characteristics and birth outcomes of pregnant women who had offspring with congenital ear abnormalities - a population-based case-control study.

PubMed

Paput, László; Bánhidy, Ferenc; Czeizel, Andrew E

2011-09-01

To describe the maternal characteristics and birth outcomes of newborn infants affected with isolated ear congenital abnormalities (IECA), mainly isolated anotia/microtia and unclassified multiple congenital abnormalities (CAs) including anotia/microtia (UMAM). Cases with IECA and UMAM were compared with their matched controls and all controls without any defect and malformed controls affected with other defects in the population-based large dataset of the Hungarian Case-Control Surveillance of Congenital Abnormalities. The mothers of 354 cases with IECA did not show significant difference in age, but their mean birth order was higher while their socio-economic status based on the maternal employment status was lower compared to the figures of their matched controls. There was a male excess among cases with microtia and mainly with UMAM. The evaluation of birth outcomes of newborns affected with IECA indicated intrauterine fetal growth retardation. Newborn infants with isolated microtia had intrauterine growth retardation and the association of this developmental defect localized for a small region of head with the general fetal development raises interesting theoretical question.

Delayed closure of the palatal defect using buccal inversion and palatal rotation flaps after maxillectomy.

PubMed

Jung, Seunggon; Kook, Min-Suk; Park, Hong-Ju; Oh, Hee-Kyun

2013-03-01

Maxillectomy leaves oronasal and oroantral defects that result in functional impairment of mastication, deglutition, and speech. Many treatment options are suggested and tried including the palatal flap as local flap. Although palatal flaps have been used to repair various oral cavity defects, they have certain limitations due to the dimensions. The amount and location of the palatal tissues available are important for palatal repair. Secondary intentional healing after maxillectomy will allow the epithelialization of the defect margin adjacent to remained palate, and there will be more mucosa that is available for closure of the defect. We delayed the closure of the palatal defect, while the patient underwent prosthetic treatment for functional recovery in 5 maxillectomy patients. Delayed closure of palatal defect with local flap was done at 10.8 ± 7.9 months after the maxillectomy. While delayed closure in hemimaxillectomy patients left postoperative fistula, it provided separation of the oral cavity and nasal/sinus cavity and adequate surface for prosthesis in partial maxillectomy patients.

Finite Element Creep Damage Analyses and Life Prediction of P91 Pipe Containing Local Wall Thinning Defect

NASA Astrophysics Data System (ADS)

Xue, Jilin; Zhou, Changyu

2016-03-01

Creep continuum damage finite element (FE) analyses were performed for P91 steel pipe containing local wall thinning (LWT) defect subjected to monotonic internal pressure, monotonic bending moment and combined internal pressure and bending moment by orthogonal experimental design method. The creep damage lives of pipe containing LWT defect under different load conditions were obtained. Then, the creep damage life formulas were regressed based on the creep damage life results from FE method. At the same time a skeletal point rupture stress was found and used for life prediction which was compared with creep damage lives obtained by continuum damage analyses. From the results, the failure lives of pipe containing LWT defect can be obtained accurately by using skeletal point rupture stress method. Finally, the influence of LWT defect geometry was analysed, which indicated that relative defect depth was the most significant factor for creep damage lives of pipe containing LWT defect.

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.

Phases and interfaces from real space atomically resolved data: Physics-based deep data image analysis

DOE PAGES

Vasudevan, Rama K.; Ziatdinov, Maxim; Jesse, Stephen; ...

2016-08-12

Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with ~1–10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysismore » is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. Furthermore, this method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure–property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters.« less

Improved damage imaging in aerospace structures using a piezoceramic hybrid pin-force wave generation model

NASA Astrophysics Data System (ADS)

Ostiguy, Pierre-Claude; Quaegebeur, Nicolas; Masson, Patrice

2014-03-01

In this study, a correlation-based imaging technique called "Excitelet" is used to monitor an aerospace grade aluminum plate, representative of an aircraft component. The principle is based on ultrasonic guided wave generation and sensing using three piezoceramic (PZT) transducers, and measurement of reflections induced by potential defects. The method uses a propagation model to correlate measured signals with a bank of signals and imaging is performed using a roundrobin procedure (Full-Matrix Capture). The formulation compares two models for the complex transducer dynamics: one where the shear stress at the tip of the PZT is considered to vary as a function of the frequency generated, and one where the PZT is discretized in order to consider the shear distribution under the PZT. This method allows taking into account the transducer dynamics and finite dimensions, multi-modal and dispersive characteristics of the material and complex interactions between guided wave and damages. Experimental validation has been conducted on an aerospace grade aluminum joint instrumented with three circular PZTs of 10 mm diameter. A magnet, acting as a reflector, is used in order to simulate a local reflection in the structure. It is demonstrated that the defect can be accurately detected and localized. The two models proposed are compared to the classical pin-force model, using narrow and broad-band excitations. The results demonstrate the potential of the proposed imaging techniques for damage monitoring of aerospace structures considering improved models for guided wave generation and propagation.

Method for mask repair using defect compensation

DOEpatents

Sweeney, Donald W.; Ray-Chaudhuri, Avijit K.

2001-01-01

A method for repair of amplitude and/or phase defects in lithographic masks. The method involves modifying or altering a portion of the absorber pattern on the surface of the mask blank proximate to the mask defect to compensate for the local disturbance (amplitude or phase) of the optical field due to the defect.

Hidden Order as a Source of Interface Superconductivity

NASA Astrophysics Data System (ADS)

Moor, Andreas; Volkov, Anatoly; Efetov, Konstantin

2015-03-01

We propose a new mechanism of the interfacial superconductivity observed in many heterostructures composed of different materials including high-temperature superconductors. Our proposal is based on the use of the Ginzburg-Landau equations applicable to a wide class of systems. The system under consideration is assumed to have, alongside the superconducting order parameter, also another competing order that might be a charge- or spin-density wave. At certain temperatures or doping level the superconducting state is not realized (thus, ``hidden''), while the amplitude of another order parameter corresponds to a minimum of the free energy. We also assume that at an interface or at a defect, the non-superconducting order parameter is suppressed (strongly or weakly), e.g., due to an enhanced impurity scattering. The local superconductivity is shown to emerge at the interface, and the spatial dependence of the corresponding order parameter is described by the Gross-Pitaevskii equation. The quantized values of the temperature and doping levels, at which Δ (x) arises, are determined by the ``energy'' levels of the linearized Gross-Pitaevskii equation, i.e., of the Schrodinger equation. Interestingly, the local superconductivity arises even at a small suppression of the rival order. We appreciate the support from DFG via the Projekt EF 11/8-1; K. B. E. gratefully acknowledges the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST ``MISiS.''

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.

Tight-binding molecular-dynamics study of point defects in GaAs

NASA Astrophysics Data System (ADS)

Seong, Hyangsuk; Lewis, Laurent J.

1995-08-01

Tight-binding molecular-dynamics simulations at 0 K have been performed in order to study the effect of defects (vacancies and antisites) in different states of charge on the electronic and structural properties of GaAs. Relaxations are fully included in the model, and for each defect we calculate the local atomic structure, the volume change upon relaxing, the formation energy (including chemical potential contributions), and the ionization levels. We find Ga vacancies to relax by an amount which is independent of the state of charge, consistent with positron lifetime measurements. Our calculations also predict Ga vacancies to exhibit a negative-U effect, and to assume a triply negative charge state for most values of the electron chemical potential. The relaxation of As vacancies, on the contrary, depends sensitively on the state of charge. The model confirms the two experimentally observed ionization levels for this defect, just below the conduction-band minimum. Likewise, Ga antisites exhibit large relaxations. In fact, in the neutral state, relaxation is so large that it leads to a ``broken-bond'' configuration, in excellent accord with the first-principles calculations of Zhang and Chadi [Phys. Rev. Lett. 64, 1789 (1990)]. This system also exhibits a negative-U effect, for values of the electron chemical potential near midgap. For As antisites, we find only a weak relaxation, independent of the charge. The model predicts the neutral state of the defect to be the ground state for values of the electron chemical potential near and above midgap, which supports the view that the EL2 defect is a neutral As antisite. Upon comparing the formation energies of the various defects we finally find that, for all values of the atomic chemical potentials, antisites are most likely to occur than vacancies.

Microstructure and phase behavior in colloids and liquid crystals

NASA Astrophysics Data System (ADS)

Lohr, Matthew Alan

This thesis describes our investigation of microstructure and phase behavior in colloids and liquid crystals. The first set of experiments explores the phase behavior of helical packings of thermoresponsive microspheres inside glass capillaries as a function of volume fraction. Stable helical packings are observed with long-range orientational order. Some of these packings evolve abruptly to disordered states as the volume fraction is reduced. We quantify these transitions using correlation functions and susceptibilities of an orientational order parameter. The emergence of coexisting metastable packings, as well as coexisting ordered and disordered states, is also observed. These findings support the notion of phase-transition-like behavior in quasi-one-dimensional systems. The second set of experiments investigates cross-over behavior from glasses with attractive interactions to sparse gel-like states. In particular, the vibrational modes of quasi-two-dimensional disordered colloidal packings of hard colloidal spheres with short-range attractions are measured as a function of packing fraction. A crossover from glassy to sparse gel-like states is indicated by an excess of low-frequency phonon modes. This change in vibrational mode distribution appears to arise from highly localized vibrations that tend to involve individual and/or small clusters of particles with few local bonds. These mode behaviors and corresponding structural insights may serve as a useful signature for glass-gel transitions in wider classes of attractive packings. A third set of experiments explores the director structures of aqueous lyotropic chromonic liquid crystal (LCLC) films created on square lattice cylindrical-micropost substrates. The structures are manipulated by modulating of the concentration-dependent elastic properties of LCLC s via drying. Nematic LCLC films exhibit preferred bistable alignment along the diagonals of the micropost lattice. Columnar LCLC films form two distinct director and defect configurations: a diagonally aligned director pattern with local squares of defects, and an off-diagonal configuration with zig-zag defects. The formation of these patterns appears to be tied to the relative free energy costs of splay and bend deformations in the precursor nematic films. The observed nematic and columnar configurations are understood numerically using a Landau-de Gennes free energy model. This work provides first examples of quasi-2D micropatterning of LC films in the columnar phase and the first micropatterning of lyotropic LC films in general, as well as demonstrating alignment and configuration switching of typically difficult-to-align LCLC films via bulk elastic properties.

Textural defect detect using a revised ant colony clustering algorithm

NASA Astrophysics Data System (ADS)

Zou, Chao; Xiao, Li; Wang, Bingwen

2007-11-01

We propose a totally novel method based on a revised ant colony clustering algorithm (ACCA) to explore the topic of textural defect detection. In this algorithm, our efforts are mainly made on the definition of local irregularity measurement and the implementation of the revised ACCA. The local irregular measurement defined evaluates the local textural inconsistency of each pixel against their mini-environment. In our revised ACCA, the behaviors of each ant are divided into two steps: release pheromone and act. The quantity of pheromone released is proportional to the irregularity measurement; the actions of the ants to act next are chosen independently of each other in a stochastic way according to some evaluated heuristic knowledge. The independency of ants implies the inherent parallel computation architecture of this algorithm. We apply the proposed method in some typical textural images with defects. From the series of pheromone distribution map (PDM), it can be clearly seen that the pheromone distribution approaches the textual defects gradually. By some post-processing, the final distribution of pheromone can demonstrate the shape and area of the defects well.

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.

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.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Strain effects on oxygen vacancy energetics in KTaO 3

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

Xi, Jianqi; Xu, Haixuan; Zhang, Yanwen

Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO 3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V 2+O) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO 3. Wemore » find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra- and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. Lastly, these anisotropic diffusion processes can further enhance site preferences.« less

Strain effects on oxygen vacancy energetics in KTaO 3

DOE PAGES

Xi, Jianqi; Xu, Haixuan; Zhang, Yanwen; ...

2017-02-07

Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO 3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V 2+O) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO 3. Wemore » find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra- and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. Lastly, these anisotropic diffusion processes can further enhance site preferences.« less

Synergy of elastic and inelastic energy loss on ion track formation in SrTiO 3

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

Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.

2015-01-12

While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontiummore » titanate (SrTiO 3), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.« less

Photonic Sorting of Aligned, Crystalline Carbon Nanotube Textiles.

PubMed

Bulmer, John S; Gspann, Thurid S; Orozco, Francisco; Sparkes, Martin; Koerner, Hilmar; Di Bernardo, A; Niemiec, Arkadiusz; Robinson, J W A; Koziol, Krzysztof K; Elliott, James A; O'Neill, William

2017-10-11

Floating catalyst chemical vapor deposition uniquely generates aligned carbon nanotube (CNT) textiles with individual CNT lengths magnitudes longer than competing processes, though hindered by impurities and intrinsic/extrinsic defects. We present a photonic-based post-process, particularly suited for these textiles, that selectively removes defective CNTs and other carbons not forming a threshold thermal pathway. In this method, a large diameter laser beam rasters across the surface of a partly aligned CNT textile in air, suspended from its ends. This results in brilliant, localized oxidation, where remaining material is an optically transparent film comprised of few-walled CNTs with profound and unique improvement in microstructure alignment and crystallinity. Raman spectroscopy shows substantial D peak suppression while preserving radial breathing modes. This increases the undoped, specific electrical conductivity at least an order of magnitude to beyond that of single-crystal graphite. Cryogenic conductivity measurements indicate intrinsic transport enhancement, opposed to simply removing nonconductive carbons/residual catalyst.

Properties of amorphous GaN from first-principles simulations

NASA Astrophysics Data System (ADS)

Cai, B.; Drabold, D. A.

2011-08-01

Amorphous GaN (a-GaN) models are obtained from first-principles simulations. We compare four a-GaN models generated by “melt-and-quench” and the computer alchemy method. We find that most atoms tend to be fourfold, and a chemically ordered continuous random network is the ideal structure for a-GaN albeit with some coordination defects. Where the electronic structure is concerned, the gap is predicted to be less than 1.0 eV, underestimated as usual by a density functional calculation. We observe a highly localized valence tail and a remarkably delocalized exponential conduction tail in all models generated. Based upon these results, we speculate on potential differences in n- and p-type doping. The structural origin of tail and defect states is discussed. The vibrational density of states and dielectric function are computed and seem consistent with experiment.

Correlation pattern recognition: optimal parameters for quality standards control of chocolate marshmallow candy

NASA Astrophysics Data System (ADS)

Flores, Jorge L.; García-Torales, G.; Ponce Ávila, Cristina

2006-08-01

This paper describes an in situ image recognition system designed to inspect the quality standards of the chocolate pops during their production. The essence of the recognition system is the localization of the events (i.e., defects) in the input images that affect the quality standards of pops. To this end, processing modules, based on correlation filter, and segmentation of images are employed with the objective of measuring the quality standards. Therefore, we designed the correlation filter and defined a set of features from the correlation plane. The desired values for these parameters are obtained by exploiting information about objects to be rejected in order to find the optimal discrimination capability of the system. Regarding this set of features, the pop can be correctly classified. The efficacy of the system has been tested thoroughly under laboratory conditions using at least 50 images, containing 3 different types of possible defects.

Energy Dispersive X-ray Diffraction (EDXRD) of Li1.1V3O8 Electrochemical Cell

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

Zhang, Qing; Bruck, Andrea M.; Bock, David C.

2017-01-01

ABSTRACT In this study, we conducted the first energy dispersive x-ray diffraction (EDXRD) experiments on Li/Li 1.1V 3O 8coin cells discharged to different lithiation levels in order to investigate the phase transitions upon electrochemical reduction. The phase transformation from layered Li-poor α to Li-rich α to defect rock-salt β phase was confirmed with cells of different lithiation stages. No spatial localization of phase formation was observed throughout the cathodes under the conditions of this measurement.

Energy Dispersive X-ray Diffraction (EDXRD) of Li1.1V3O8 Electrochemical Cell

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

Zhang, Qing; Bruck, Andrea M.; Bock, David C.

ABSTRACT In this study, we conducted the first energy dispersive x-ray diffraction (EDXRD) experiments on Li/Li 1.1V 3O 8coin cells discharged to different lithiation levels in order to investigate the phase transitions upon electrochemical reduction. The phase transformation from layered Li-poor α to Li-rich α to defect rock-salt β phase was confirmed with cells of different lithiation stages. No spatial localization of phase formation was observed throughout the cathodes under the conditions of this measurement.

Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

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

Specht, Eliot D; Ma, Jie; Delaire, Olivier A

2015-01-01

Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

Investigation of intrinsic defect magnetic properties in wurtzite ZnO materials

NASA Astrophysics Data System (ADS)

Fedorov, A. S.; Visotin, M. A.; Kholtobina, A. S.; Kuzubov, A. A.; Mikhaleva, N. S.; Hsu, Hua Shu

2017-10-01

Theoretical and experimental investigations of the ferromagnetism induced by intrinsic defects inside wurtzite zinc oxide structures are performed using magnetic field-dependent circular dichroism (MCD-H), direct magnetization measurement (M-H) by superconducting quantum interference device (SQUID) as well as by generalized gradient density functional theory (GGA-DFT). To investigate localized magnetic moments of bulk material intrinsic defects - vacancies, interstitial atoms and Frenkel defects, various-size periodic supercells are calculated. It is shown that oxygen interstitial atoms (Oi) or zinc vacancies (Znv) generate magnetic moments of 1,98 и 1,26 μB respectively, however, the magnitudes are significantly reduced when the distance between defects increases. At the same time, the magnetic moments of oxygen Frenkel defects are large ( 1.5-1.8 μB) and do not depend on the distance between the defects. It is shown that the origin of the induced ferromagnetism in bulk ZnO is the extra spin density on the oxygen atoms nearest to the defect. Also dependence of the magnetization of ZnO (10 1 ̅ 0) and (0001) thin films on the positions of Oi and Znv in subsurface layers were investigated and it is shown that the magnetic moments of both defects are significantly different from the values inside bulk material. In order to check theoretical results regarding the defect induced ferromagnetism in ZnO, two thin films doped by carbon (C) and having Zn interstitials and oxygen vacancies were prepared and annealed in vacuum and air, respectively. According to the MCD-H and M-H measurements, the film, which was annealed in air, exhibits a ferromagnetic behavior, while the other does not. One can assume annealing of ZnO in vacuum should create oxygen vacancies or Zn interstitial atoms. At that annealing of the second C:ZnO film in air leads to essential magnetization, probably by annihilation of oxygen vacancies, formation of interstitial oxygen atoms or zinc vacancies. Thus, our experimental results confirm our theoretical conclusions that ZnO magnetization origin are Oi or Znv defects.

Studying plastic shear localization in aluminum alloys under dynamic loading

NASA Astrophysics Data System (ADS)

Bilalov, D. A.; Sokovikov, M. A.; Chudinov, V. V.; Oborin, V. A.; Bayandin, Yu. V.; Terekhina, A. I.; Naimark, O. B.

2016-12-01

An experimental and theoretical study of plastic shear localization mechanisms observed under dynamic deformation using the shear-compression scheme on a Hopkinson-Kolsky bar has been carried out using specimens of AMg6 alloy. The mechanisms of plastic shear instability are associated with collective effects in the microshear ensemble in spatially localized areas. The lateral surface of the specimens was photographed in the real-time mode using a CEDIP Silver 450M high-speed infrared camera. The temperature distribution obtained at different times allowed us to trace the evolution of the localization of the plastic strain. Based on the equations that describe the effect of nonequilibrium transitions on the mechanisms of structural relaxation and plastic flow, numerical simulation of plastic shear localization has been performed. A numerical experiment relevant to the specimen-loading scheme was carried out using a system of constitutive equations that reflect the part of the structural relaxation mechanisms caused by the collective behavior of microshears with the autowave modes of the evolution of the localized plastic flow. Upon completion of the experiment, the specimens were subjected to microstructure analysis using a New View-5010 optical microscope-interferometer. After the dynamic deformation, the constancy of the Hurst exponent, which reflects the relationship between the behavior of defects and roughness induced by the defects on the surfaces of the specimens is observed in a wider range of spatial scales. These investigations revealed the distinctive features in the localization of the deformation followed by destruction to the script of the adiabatic shear. These features may be caused by the collective multiscale behavior of defects, which leads to a sharp decrease in the stress-relaxation time and, consequently, a localized plastic flow and generation of fracture nuclei in the form of adiabatic shear. Infrared scanning of the localization zone of the plastic strain in situ and the subsequent study of the defect structure corroborated the hypothesis about the decisive role of non-equilibrium transitions in defect ensembles during the evolution of a localized plastic flow.

Ordered defect compounds in CuInSe{sub 2} for photovoltaic solar cell application

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

Sato, K.; Katayama-Yoshida, H.

2014-02-21

Due to the complete compensation, defect complex (2V{sub Cu}+In{sub Cu}), namely two Cu vacancies and In located at Cu site, is stable in CuInSe{sub 2} (CIS). It is known that the series of ordered defect compounds (ODC) are constracted by ordering the defect complex. Based on the total energy calcalation by using the Korringa-Kohn-Rostoker coherent potential approxiamtion (KKR-CPA) method, we discuss phase separation of the CIS with the defect complexes into ODC and CIS. Since the band alignment between ODC and CIS is calculated to be type 2, effective electron-hole separation at the interface between ODC and CIS can bemore » expected. This causes the enhancement of conversion efficiency of CIS-based solar cell materials.« less

Discriminating a deep gallium antisite defect from shallow acceptors in GaAs using supercell calculations

DOE PAGES

Schultz, Peter A.

2016-03-01

For the purposes of making reliable first-principles predictions of defect energies in semiconductors, it is crucial to distinguish between effective-mass-like defects, which cannot be treated accurately with existing supercell methods, and deep defects, for which density functional theory calculations can yield reliable predictions of defect energy levels. The gallium antisite defect GaAs is often associated with the 78/203 meV shallow double acceptor in Ga-rich gallium arsenide. Within a conceptual framework of level patterns, analyses of structure and spin stabilization can be used within a supercell approach to distinguish localized deep defect states from shallow acceptors such as B As. Thismore » systematic approach determines that the gallium antisite supercell results has signatures inconsistent with an effective mass state and cannot be the 78/203 shallow double acceptor. Lastly, the properties of the Ga antisite in GaAs are described, total energy calculations that explicitly map onto asymptotic discrete localized bulk states predict that the Ga antisite is a deep double acceptor and has at least one deep donor state.« less

The preparation of high quality alumina defective photonic crystals and their application of photoluminescence enhancement

NASA Astrophysics Data System (ADS)

An, Yu-Ying; Wang, Jian; Zhou, Wen-Ming; Jin, Hong-Xia; Li, Jian-Feng; Wang, Cheng-Wei

2018-07-01

The high quality anodic aluminum oxide (AAO) defective photonic crystals (DPCs) have been successfully prepared by using a modified periodic pulse anodization technique including an effective voltage compensating strategy. The test results confirmed that the AAO DPCs were with a perfect regular layered-structure and had a narrow defective photonic band gap (DPBG) with a high quality defective mode. When the rhodamine B (rhB) was absorbed onto the pore walls of the AAO DPCs, it was found that the DPBG blue edge and localized defective mode inside could significantly enhance the photoluminescence (PL) intensity of rhodamine B (rhB), while they were carefully regulated to match with the emission peak position of rhB respectively. Even more intriguing was that the localized defective peak in DPBG had more notable effect on rhB's photoluminescence, 3.1 times higher than that of the control samples under the same conditions. The corresponding mechanism for photoluminescence enhancement was also discussed in detail.

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

Schultz, Peter A.

For the purposes of making reliable first-principles predictions of defect energies in semiconductors, it is crucial to distinguish between effective-mass-like defects, which cannot be treated accurately with existing supercell methods, and deep defects, for which density functional theory calculations can yield reliable predictions of defect energy levels. The gallium antisite defect GaAs is often associated with the 78/203 meV shallow double acceptor in Ga-rich gallium arsenide. Within a conceptual framework of level patterns, analyses of structure and spin stabilization can be used within a supercell approach to distinguish localized deep defect states from shallow acceptors such as B As. Thismore » systematic approach determines that the gallium antisite supercell results has signatures inconsistent with an effective mass state and cannot be the 78/203 shallow double acceptor. Lastly, the properties of the Ga antisite in GaAs are described, total energy calculations that explicitly map onto asymptotic discrete localized bulk states predict that the Ga antisite is a deep double acceptor and has at least one deep donor state.« less

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 ).

Intersecting surface defects and two-dimensional CFT

NASA Astrophysics Data System (ADS)

Gomis, Jaume; Le Floch, Bruno; Pan, Yiwen; Peelaers, Wolfger

2017-08-01

We initiate the study of intersecting surface operators/defects in 4D quantum field theories (QFTs). We characterize these defects by coupled 4D/2D/0D theories constructed by coupling the degrees of freedom localized at a point and on intersecting surfaces in spacetime to each other and to the 4D QFT. We construct supersymmetric intersecting surface defects preserving just two supercharges in N =2 gauge theories. These defects are amenable to exact analysis by localization of the partition function of the underlying 4D/2D/0D QFT. We identify the 4D/2D/0D QFTs that describe intersecting surface operators in N =2 gauge theories realized by intersecting M2 branes ending on N M5 branes wrapping a Riemann surface. We conjecture and provide evidence for an explicit equivalence between the squashed four-sphere partition function of these intersecting defects and correlation functions in Liouville/Toda CFT with the insertion of arbitrary degenerate vertex operators, which are labeled by two representations of S U (N ).

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

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

Detection and Spectroscopy of Single Pentacene Molecules in a p- Terphenyl Crystal by Means of Fluorescence Excitation

DTIC Science & Technology

1991-07-22

suggesting that the effect may be ite td’ phonon-assisted transitions of local degrees of freedom around the pentacene defect whose source remains to...the effect may be due to phonon-assisted transitions of local degrees of freedom around the pentacene defect whose source remains to be identified...single molecule of pentacene in p-terphenyl is an exquisitely sensitive probe of the detailed local environment around the impurity molecule. It appears

Polariton Local States in Periodic Bragg Multiple Quantum Well Structures

NASA Astrophysics Data System (ADS)

Deych, Lev; Yamilov, Alexey; Lisyansky, Alexander

2000-11-01

We analytically study defect polariton states in Bragg MQW structures, and defect induced changes in transmission and reflection spectra. Defect layers can differ from the host layers in three different ways: in the exciton-light coupling strength, in the exciton resonance frequency, and in interwell spacing. We show that a single defect leads to two local polariton modes in the photonic band gap. These modes lead to peculiarities in reflection and transmission spectra. Each type of defect can be reproduced experimentally, and we show that each of them play distinctly different roles in the optical properties of the system. We obtain closed analytical expressions for respective local frequencies, as well as for reflection and transmission coefficients. On the basis of the results obtained, we give practical recommendation for experimental observation of the studied effects in samples used in Refs. [1,2]. [1] M.Hübner, J. Kuhl, T. Stroucken, A. Knorr, S.W. Koch, R. Hey, K. Ploog, Phys. Rev. Lett. 76, 4199 (1996). [2] M.Hübner, J.P. Prineas, C. Ell, P. Brick, E.S. Lee, G. Khitrova, H.M. Gibbs, S.W. Koch, Phys. Rev. Lett. 83, 2841 (1999).

Special Features of Strain Localization and Nanodipoles of Partial Disclinations in the Region of Elastic Distortions

NASA Astrophysics Data System (ADS)

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

2018-02-01

In the zones of strain localization in the region of elastic distortions and nanodipoles of partial disclinations representing the defects of elastically deformed medium, a theoretical analysis of the elastically stressed state and the energy of these defects, including the cases of their transformation into more complex ensembles of interrelated disclinations, is performed. Using the analytical results, the mechanisms of strain localization are discussed in the stages of nucleation and propagation of the bands of elastic and plastic strain localization formed in these zones (including the cases of nanocrystalline structure formation).

Quasi-conformal remapping for compensation of human visual field defects - Advances in image remapping for human field defects

NASA Technical Reports Server (NTRS)

Juday, Richard D.; Loshin, David S.

1989-01-01

Image coordinate transformations are investigated for possible use in a low vision aid for human patients. These patients typically have field defects with localized retinal dysfunction predominately central (age related maculopathy) or peripheral (retinitis pigmentosa). Previously simple eccentricity-only remappings which do not maintain conformality were shown. Initial attempts on developing images which hold quasi-conformality after remapping are presented. Although the quasi-conformal images may have less local distortion, there are discontinuities in the image which may counterindicate this type of transformation for the low vision application.

The use of light emission in failure analysis of CMOS ICs

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

Hawkins, C.F.; Soden, J.M.; Cole, E.I. Jr.

1990-01-01

The use of photon emission for analyzing failure mechanisms and defects in CMOS ICs is presented. Techniques are given for accurate identification and spatial localization of failure mechanisms and physical defects, including defects such as short and open circuits which do not themselves emit photons.

Amorphization resistance of nano-engineered SiC under heavy ion irradiation

NASA Astrophysics Data System (ADS)

Imada, Kenta; Ishimaru, Manabu; Xue, Haizhou; Zhang, Yanwen; Shannon, Steven C.; Weber, William J.

2016-09-01

Silicon carbide (SiC) with a high-density of planar defects (hereafter, 'nano-engineered SiC') and epitaxially-grown single-crystalline 3C-SiC were simultaneously irradiated with Au ions at room temperature, in order to compare their relative resistance to radiation-induced amorphization. It was found that the local threshold dose for amorphization is comparable for both samples under 2 MeV Au ion irradiation; whereas, nano-engineered SiC exhibits slightly greater radiation tolerance than single crystalline SiC under 10 MeV Au irradiation. Under 10 MeV Au ion irradiation, the dose for amorphization increased by about a factor of two in both nano-engineered and single crystal SiC due to the local increase in electronic energy loss that enhanced dynamic recovery.

Electromagnetically induced acoustic emission—novel NDT technique for damage evaluation

NASA Astrophysics Data System (ADS)

Finkel, P.; Godinez, V.; Miller, R.; Finlayson, R.

2001-04-01

A recently developed electromagnetically induced acoustic emission technique (EM AE) which can be used for damage assessment of thin walled conducting structures is described. This technique allows a structure to be loaded locally by applying an electromagnetic field in order to produce an AE response, which may be captured by conventional or fiber optic (FO) AE sensors. The advantage of this technique is that the localized dynamic stresses induced by a short current pulse in the presence of an external magnetic field aid in the detection of cracks. Also, it is shown that electromagnetic stimulation can be applied to enhance conventional ultrasonics by modulation of the scattered signal from the defect (EM UT). Experimental data is presented for the case of a fatigue crack near rivet holes in thin walled aluminum structures.

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

Liu, Geyuan

My research projects are focused on application of photonics, optics and micro- fabrication technology in energy related fields. Photonic crystal fabrication research has the potential to help us generate and use light more efficiently. In order to fabricate active 3D woodpile photonic structure devices, a woodpile template is needed to enable the crystal growth process. We developed a silica woodpile template fabrication process based on two polymer transfer molding technique. A silica woodpile template is demonstrated to work with temperature up to 900 C. It provides a more economical way to explore making better 3D active woodpile photonic devices likemore » 3D photonic light emitting diodes (LED). Optical research on solar cell testing has the potential to make our energy generation more e cient and greener. PL imaging and LBIC mapping are used to measure CdTe solar cells with different back contacts. A strong correlation between PL image defects and LBIC map defects is observed. This opens up potential application for PL imaging in fast solar cell inspection. 2D laser IV scan shows its usage in 2D parameter mapping. We show its ability to generate important information about solar cell performance locally around PL image defects.« less

Computational study of hydroxyapatite structures, properties and defects

NASA Astrophysics Data System (ADS)

Bystrov, V. S.; Coutinho, J.; Bystrova, A. V.; Dekhtyar, Yu D.; Pullar, R. C.; Poronin, A.; Palcevskis, E.; Dindune, A.; Alkan, B.; Durucan, C.; Paramonova, E. V.

2015-03-01

Hydroxyapatite (HAp) was studied from a first principle approach using the local density approximation (LDA) method in AIMPRO code, in combination with various quantum mechanical (QM) and molecular mechanical (MM) methods from HypemChem 7.5/8.0. The data obtained were used for studies of HAp structures, the physical properties of HAp (density of electronic states—DOS, bulk modulus etc) and defects in HAp. Computed data confirmed that HAp can co-exist in different phases—hexagonal and monoclinic. Ordered monoclinic structures, which could reveal piezoelectric properties, are of special interest. The data obtained allow us to characterize the properties of the following defects in HAp: O, H and OH vacancies; H and OH interstitials; substitutions of Ca by Mg, Sr, Mn or Se, and P by Si. These properties reveal the appearance of additional energy levels inside the forbidden zone, shifts of the top of the valence band or the bottom of the conduction band, and subsequent changes in the width of the forbidden zone. The data computed are compared with other known data, both calculated and experimental, such as alteration of the electron work functions under different influences of various defects and treatments, obtained by photoelectron emission. The obtained data are very useful, and there is an urgent need for such analysis of modified HAp interactions with living cells and tissues, improvement of implant techniques and development of new nanomedical applications.

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

Patterning of leaf vein networks by convergent auxin transport pathways.

PubMed

Sawchuk, Megan G; Edgar, Alexander; Scarpella, Enrico

2013-01-01

The formation of leaf vein patterns has fascinated biologists for centuries. Transport of the plant signal auxin has long been implicated in vein patterning, but molecular details have remained unclear. Varied evidence suggests a central role for the plasma-membrane (PM)-localized PIN-FORMED1 (PIN1) intercellular auxin transporter of Arabidopsis thaliana in auxin-transport-dependent vein patterning. However, in contrast to the severe vein-pattern defects induced by auxin transport inhibitors, pin1 mutant leaves have only mild vein-pattern defects. These defects have been interpreted as evidence of redundancy between PIN1 and the other four PM-localized PIN proteins in vein patterning, redundancy that underlies many developmental processes. By contrast, we show here that vein patterning in the Arabidopsis leaf is controlled by two distinct and convergent auxin-transport pathways: intercellular auxin transport mediated by PM-localized PIN1 and intracellular auxin transport mediated by the evolutionarily older, endoplasmic-reticulum-localized PIN6, PIN8, and PIN5. PIN6 and PIN8 are expressed, as PIN1 and PIN5, at sites of vein formation. pin6 synthetically enhances pin1 vein-pattern defects, and pin8 quantitatively enhances pin1pin6 vein-pattern defects. Function of PIN6 is necessary, redundantly with that of PIN8, and sufficient to control auxin response levels, PIN1 expression, and vein network formation; and the vein pattern defects induced by ectopic PIN6 expression are mimicked by ectopic PIN8 expression. Finally, vein patterning functions of PIN6 and PIN8 are antagonized by PIN5 function. Our data define a new level of control of vein patterning, one with repercussions on other patterning processes in the plant, and suggest a mechanism to select cell files specialized for vascular function that predates evolution of PM-localized PIN proteins.

Chromophores in phenylenevinylene-based conjugated polymers: role of conformational kinks and chemical defects.

PubMed

Hennebicq, Emmanuelle; Deleener, Caroline; Brédas, Jean-Luc; Scholes, Gregory D; Beljonne, David

2006-08-07

The influence of chemical defects and conformational kinks on the nature of the lowest electronic excitations in phenylenevinylene-based polymers is assessed at the semiempirical quantum-chemical level. The amount of excited-state localization and the amplitude of through-space (Coulomb-like) versus through-bond (charge-transfer-like) interactions have been quantified by comparing the results provided by excitonic and supermolecular models. While excitation delocalization among conjugated segments delineated by the defects occurs in the acceptor configuration, self-confinement on individual chromophores follows from geometric relaxation in the excited-state donor configuration. The extent of excited-state localization is found to be sensitive to both the nature of the defect and the length of the conjugated chains. Implications for resonant energy transfer along conjugated polymer chains are discussed.

[The repair of bulky tissue defect of forearm with skin flaps].

PubMed

Huang, Xiaoyuan; Long, Jianhong; Xie, Tinghong; Zhang, Minghua; Zhang, Pihong; Yang, Xinghua; Zhong, Keqin

2002-12-01

To evaluate the repairing methods of bulky tissue defect of forearm with flaps. Twenty-one burned patients with wounds in the forearm were enrolled in this study. The injury causes were high-voltage electricity, hot press or crush injury. After local debridement, the forearm defects were repaired with pedicled complex flaps, latissimus dorsi musculocutaneous island flaps or large thoraco-abdominal flaps immediately. All the flaps survived very well with satisfactory results except for 1 patient in whom local ischemic necrosis and sub-flap infection at the distal end of the flap occurred. Early debridement followed by skin flaps with pedicles or musculocutaneous flaps transfer could be simple, safe and reliable treatment strategies in the management of bulky tissue defects of the forearm due to burn, electric injury, or other devastating injuries.

One-Dimensional Quantum Walks with One Defect

NASA Astrophysics Data System (ADS)

Cantero, M. J.; Grünbaum, F. A.; Moral, L.; Velázquez, L.

The CGMV method allows for the general discussion of localization properties for the states of a one-dimensional quantum walk, both in the case of the integers and in the case of the nonnegative integers. Using this method we classify, according to such localization properties, all the quantum walks with one defect at the origin, providing explicit expressions for the asymptotic return probabilities to the origin.

Effect of Casting Defect on Mechanical Properties of 17-4PH Stainless Steel

NASA Astrophysics Data System (ADS)

Kim, Jong-Yup; Lee, Joon-Hyun; Nahm, Seung-Hoon

Damage and integrity evaluation techniques should be developed steadily in order to ensure the reliability and the economic efficiency of gas turbine engines. Casting defects may exist in most casting components of gas turbine engines, and the defects could give serious effect on mechanical properties and fracture toughness. Therefore, it is very important to understand the effect of casting defects on the above properties in order to predict the safety and life of components. In this study, specimens with internal casting defects, made from 17-4PH stainless steel, were prepared and evaluated and characterized based on the volume fraction of defects. The relation between mechanical properties such as tensile, low cycle fatigue and fracture toughness and volume fraction of defect has been investigated. As a result of the analysis, the mechanical properties of 17-4PH decreased as the defect volume fraction increased with very good linearity. The mechanical properties also showed an inversely proportional relationship to electrical resistivity.

Biocatalytic induction of supramolecular order

NASA Astrophysics Data System (ADS)

Hirst, Andrew R.; Roy, Sangita; Arora, Meenakshi; Das, Apurba K.; Hodson, Nigel; Murray, Paul; Marshall, Stephen; Javid, Nadeem; Sefcik, Jan; Boekhoven, Job; van Esch, Jan H.; Santabarbara, Stefano; Hunt, Neil T.; Ulijn, Rein V.

2010-12-01

Supramolecular gels, which demonstrate tunable functionalities, have attracted much interest in a range of areas, including healthcare, environmental protection and energy-related technologies. Preparing these materials in a reliable manner is challenging, with an increased level of kinetic defects observed at higher self-assembly rates. Here, by combining biocatalysis and molecular self-assembly, we have shown the ability to more quickly access higher-ordered structures. By simply increasing enzyme concentration, supramolecular order expressed at molecular, nano- and micro-levels is dramatically enhanced, and, importantly, the gelator concentrations remain identical. Amphiphile molecules were prepared by attaching an aromatic moiety to a dipeptide backbone capped with a methyl ester. Their self-assembly was induced by an enzyme that hydrolysed the ester. Different enzyme concentrations altered the catalytic activity and size of the enzyme clusters, affecting their mobility. This allowed structurally diverse materials that represent local minima in the free energy landscape to be accessed based on a single gelator structure.

Growth of two-dimensional decagonal colloidal quasicrystals

NASA Astrophysics Data System (ADS)

Martinsons, M.; Schmiedeberg, M.

2018-06-01

The growth of quasicrystals, i.e. structures with long-range positional order but no periodic translational symmetry, is more complex than the growth of periodic crystals. By employing Brownian dynamics simulations in two dimensions for colloidal particles that interact according to an isotropic pair potential with two incommensurate lengths, we study the growth of quasicrystalline structures by sequentially depositing particles at their surface. We quantify the occurrence of quasicrystalline order as a function of the temperature and the rate of added particles. In addition, we explore defects like local triangular order or gaps within the quasicrystalline structure. Furthermore, we analyze the shapes of the surfaces in grown structures which tend to build straight lines along the symmetry axes of the quasicrystal. Finally, we identify phasonic flips which are rearrangements of the particles due to additional degrees of freedom. The number of phasonic flips decreases with the distance to the surface.

Surgical reconstruction of post-tumoral facial defects.

PubMed

Tamaş, Camelia; Pintilie, Cătălina Teodora; Atănăsoae, Ionuţ Vivi; Corduneanu, Andreea Mioara; Dabija, Iulia; Olaru, Florin Ştefan; Hreniuc, Irina Mihaela; Tecuceanu, Angela; Munteanu, Ioana; Dobre, Costel; Moraru, Dan Cristian; Ianole, Victor; Tamaş, Ioana; Costan, Victor Vlad

2018-01-01

The face is an unfortunate location for any type of tumor - malignant or not - with significant esthetic and functional outcomes. To reconstruct a facial defect may seem simple, but can be rather complicated. The aim of this study is to analyze and discuss our results in order to conclude with specific surgical strategies correlated with the morphopathological results. The most important objective for us is to offer the highest level of expertise to our patients and to prove that the symbiosis between the surgical treatment and the work of the Department of Morphopathology is essential in order to maximize the quality of medical care provided for our patients. A retrospective study was conducted on 116 patients diagnosed with facial malignant tumors, 70 of which were confirmed as basal cell carcinomas (BCCs), 35 confirmed as squamous cell carcinomas (SCCs) and 11 malignant melanomas (MMs). Most BCC cases (57) showed ulceration, with a long clinical evolution (more than 10 years) in 48 cases. Only in 12 SCC cases, patients showed inflammation and ulceration, with a shorter evolution period (2-5 years). For complete microscopic diagnosis, immunohistochemical (IHC) examination was necessary in 46 cases. The BCC "deceiving" clinical behavior and the generally aggressive character of the MM were found in our patients as well. The most frequent sites were the orbital region (27 cases) and the nasolabial sulcus (26 cases). In order to reconstruct the postexcisional defects, we had to perform local flaps in 62 cases (14 frontal flaps for orbital defects, 32 glabellar flaps for medial epicanthus, lower lid and nasal region, 15 nasolabial flaps for lower lid or nasal alae and one "Z"-plasty for the submental region). Oncological follow-up was performed in all patients and in 15 cases re-excision was necessary (11 BCCs, two SCCs and two MMs). Cervical lymph node metastasis occurred in six cases (three BCCs, one SCC and two MMs). The cooperation between surgeons and pathologists allowed for good outcomes and the pathology examination can guide the surgical approach towards better results both functionally and esthetically.

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.

Local Burn Injury Promotes Defects in the Epidermal Lipid and Antimicrobial Peptide Barriers in Human Autograft Skin and Burn Margin: Implications for Burn Wound Healing and Graft Survival

PubMed Central

Plichta, Jennifer K.; Holmes, Casey J.; Gamelli, Richard L.; Radek, Katherine A.

2016-01-01

Burn injury increases the risk of morbidity and mortality by promoting severe hemodynamic shock and risk for local or systemic infection. Graft failure due to poor wound healing or infection remains a significant problem for burn subjects. The mechanisms by which local burn injury compromises the epithelial antimicrobial barrier function in the burn margin, containing the elements necessary for healing of the burn site, and in distal unburned skin, which serves as potential donor tissue, are largely unknown. The objective of this study was to establish defects in epidermal barrier function in human donor skin and burn margin, in order to identify potential mechanisms that may lead to graft failure and/or impaired burn wound healing. In the present study, we established that epidermal lipids and respective lipid synthesis enzymes were significantly reduced in both donor skin and burn margin. We further identified diverse changes in the gene expression and protein production of several candidate skin antimicrobial peptides (AMPs) in both donor skin and burn margin. These results also parallel changes in cutaneous AMP activity against common burn wound pathogens, aberrant production of epidermal proteases known to regulate barrier permeability and AMP activity, and greater production of pro-inflammatory cytokines known to be induced by AMPs. These findings suggest that impaired epidermal lipid and AMP regulation could contribute to graft failure and infectious complications in subjects with burn or other traumatic injury. PMID:27183442

Defect-driven localization crossovers in MBE-grown La-doped SrSn O3 films

NASA Astrophysics Data System (ADS)

Wang, Tianqi; Thoutam, Laxman Raju; Prakash, Abhinav; Nunn, William; Haugstad, Greg; Jalan, Bharat

2017-11-01

Through systematic control of cation stoichiometry using a hybrid molecular beam epitaxy method, we show a crossover from weak to strong localization of electronic carriers in La-doped SrSn O3 films on LaAl O3 (001). We demonstrate that substrate-induced dislocations in these films can have a strong influence on the electron phase coherence length resulting in two-dimensional to three-dimensional weak localization crossover. We discuss the correlation between electronic transport, and defects associated with nonstoichiometry and dislocations.

"Palmar pivot flap" for resurfacing palmar lateral defects of the fingers.

PubMed

Yam, Andrew; Peng, Yeong-Pin; Pho, Robert Wan-Heng

2008-12-01

Soft tissue defects on the lateral borders of the digits are difficult to reconstruct using local or local-regional flaps. We describe a "palmar pivot flap" to resurface an adjacent defect on the palmar-lateral aspect of the digit. The surgical technique is described. This flap is an axial pattern flap based on the subcutaneous transverse branches of the digital artery. The flap is pivoted up to 90 degrees on the neurovascular bundle in its base, into an adjacent defect. The flap can be raised from either the proximal or the middle phalangeal segments. It can cover defects sited from the level of the proximal interphalangeal joint up to the fingertip. The donor defect is limited to the same digit and is covered with a full-thickness skin graft. We have used this flap on 3 patients with defects at the middle phalangeal segment, the distal interphalangeal joint, and the fingertip. All healed primarily. One patient had a mild flexion contracture of the proximal interphalangeal joint, whereas the other 2 had no complications. The patients with distal interphalangeal joint and fingertip defects had excellent sensation in the flap (2-point discrimination of 5-6 mm). The palmar pivot flap is useful for resurfacing otherwise difficult defects on the lateral borders of the digits around and distal to the proximal interphalangeal joint, including those at the fingertip. It provides sensate, glabrous skin. The donor defect is on the same digit and is well hidden, producing an aesthetic and functional reconstruction.

Quantitative In Situ TEM Studies of Small-Scale Plasticity in Irradiated and Unirradiated Metals

NASA Astrophysics Data System (ADS)

Chisholm, Claire

In this work, unirradiated and irradiated model body centered cubic (BCC) and face centered cubic (FCC) materials are investigated using advanced electron microscopy techniques to quantitatively measure local stresses and strains around defects, with the overarching goal of obtaining a fundamental understanding of defect physics. Quantitative in-situ transmission electron microscopy (TEM) tensile tests are performed with Molybdenum-alloy nano-fibers, functioning as a model BCC structural material. Local true stress and strain around an active Frank-Read type dislocation source are obtained using quantitative load-displacement data and digital image correlation. A mixed Frank-Read dislocation source, b=a/2[-1-11](112) with a line direction 20° from a screw orientation and length 177 nm, is observed to begin operating at a measured local stress of 1.38 GPa. The measured local true stress values compare very well to estimated stresses using dislocation radius of curvature, and a line-tension model of a large bow-out configuration, with differences of only ˜1%. The degree to which the local true stresses can be measured is highly promising. However, the ultimate failure mode of these fibers, sudden strain softening after dislocation starvation and exhaustion, cannot be captured at the typical camera frame rate of 30 frames per second. Thus, fibers are mechanically tested while under observation with the Gatan K2-IS direct electron detector camera, where the frame rate is an order of magnitude larger at 400 fps. Though the increase in frame rate adds to the overall understanding of the sudden failure, by definitively showing that the nano-fibers break rather than strain soften, the failure mechanism still operates too quickly to be observed. In the final investigation of this BCC model structural alloy, the mechanical behavior of heavily dislocated, but unirradiated, and He1+ and Ni 2+ irradiated nano-fibers are compared. Remarkable similarities are found in the mechanical data, as the two defect conditions exhibit similar yield strengths, ultimate tensile strengths, and number and size of load-drops. This similarity implies that, even if materials contain dissimilar individual defects, the collective defect behavior can result in similar mechanical properties. Thus, the origin of mechanical properties can be ambiguous and caution should be taken when extrapolating to different size scales. Furthermore, such similarities highlight the importance of in-situ observation during deformation. These experiments provide a key test of theory, by providing a local test of behavior, which is much more stringent than testing behaviors averaged over many regions. Advanced electron microscopy imaging techniques and quantitative in-situ TEM tensile tests are performed with Au thin-film as a model FCC structural material. These investigations highlight the various hurdles experimental studies must overcome in order to probe defect behavior at a fundamental level. Two novelly-applied strain mapping techniques are performed to directly measure the matrix strain around helium bubbles in He1+ implanted Au thin-film. Dark-field inline holography (DFIH) is applied here for the first time to a metal, and nano-beam electron diffraction (NBED) transient strain mapping is shown to be experimentally feasible using the high frame rate Gatan K2 camera. The K2 camera reduces scan times from ˜18 minutes to 82 seconds for a 128x256 pixel scan at 400 fps. Both methods measure a peak strain around 10 nm bubbles of 0.7%, correlating to an internal pressure of 580 MPa, or a vacancy to helium ion ratio of 1V:2.4He. Previous studies have relied on determining the appropriate equation of state to relate measured or approximated helium density to internal bubble pressure and thus strain. Direct measurement of the surrounding matrix strain through DFIH and NBED methods effectively bypasses this step, allowing for easier defect interaction modeling as the bubble can be effectively simplified to its matrix strain. Furthermore, this study demonstrates the feasibility of fully strain mapping, in four dimensions, any in-situ TEM experiment. The final set of experiments with this model FCC structural material shows the attempted correlation of defect interactions and deformation behavior at the nano-scale. Experimental comparison of mechanical behavior from quantitative in-situ TEM tensile tests of focused ion beam (FIB) shaped, He1+ implanted, and FIB-shaped He1+ implanted Au thin-film show a wide range of behavior that could not be directly linked to irradiation condition. This is due to the large role that overall microstructural features, such as grain boundary orientation and texture, play in mechanical behavior at this size scale. However, these tests are some of the first to in-situ TEM mechanically strain single grain-boundaries free of FIB-damage. It is expected that, with well-defined grain orientations and boundaries, real conclusions can be made.

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

PubMed

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

2016-04-18

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

Helicoidal pattern in secondary cell walls and possible role of xylans in their construction.

PubMed

Reis, Danièle; Vian, Brigitte

2004-01-01

The helicoidal organization of secondary cell walls is overviewed from several examples. Both the plywood texture and the occurrence of characteristic defects strongly suggest that the wall ordering is relevant of a cholesteric liquid-crystal assembly that is rapidly and strongly consolidated by lignification. A preferential localization of glucuronoxylans, major matrix components, and in vitro re-association experiments emphasize their preeminent role: (1) during the construction of the composite as directing the cellulose microfibrils in a helicoidal array; (2) during the lignification of the composite as a host structure for lignin precursors.

Quantum confinement of zero-dimensional hybrid organic-inorganic polaritons at room temperature

NASA Astrophysics Data System (ADS)

Nguyen, H. S.; Han, Z.; Abdel-Baki, K.; Lafosse, X.; Amo, A.; Lauret, J.-S.; Deleporte, E.; Bouchoule, S.; Bloch, J.

2014-02-01

We report on the quantum confinement of zero-dimensional polaritons in perovskite-based microcavity at room temperature. Photoluminescence of discrete polaritonic states is observed for polaritons localized in symmetric sphere-like defects which are spontaneously nucleated on the top dielectric Bragg mirror. The linewidth of these confined states is found much sharper (almost one order of magnitude) than that of photonic modes in the perovskite planar microcavity. Our results show the possibility to study organic-inorganic cavity polaritons in confined microstructure and suggest a fabrication method to realize integrated polaritonic devices operating at room temperature.

Glassy dynamics of dense particle assemblies on a spherical substrate.

PubMed

Vest, Julien-Piera; Tarjus, Gilles; Viot, Pascal

2018-04-28

We study by molecular dynamics simulation a dense one-component system of particles confined on a spherical substrate. We more specifically investigate the evolution of the structural and dynamical properties of the system when changing the control parameters, the temperature and the curvature of the substrate. We find that the dynamics become glassy at low temperature, with a strong slowdown of the relaxation and the emergence of dynamical heterogeneity. The prevalent local 6-fold order is frustrated by curvature and we analyze in detail the role of the topological defects in the statics and the dynamics of the particle assembly.

[Diabetes and periodontitis: A bidirectional relationship].

PubMed

Bascones-Martínez, Antonio; Muñoz-Corcuera, Marta; Bascones-Ilundain, Jaime

2015-07-06

Diabetes mellitus is a group of metabolic diseases characterized by hyperglycemia resulting from defects in insulin secretion, a defect in insulin action or a combination of both. Periodontitis is now considered a chronic localized infection of the oral cavity that can trigger inflammatory host immune responses at local and systemic levels, and can also be a source of bacteremia. It is now known that periodontitis has an influence on the pathogenesis of certain systemic diseases. The biological relationship between diabetes and periodontal disease is well documented. In the mid-90s sufficient scientific support for the association between diabetes and periodontitis was published, and periodontitis was designated as the sixth complication of diabetes. There have been studies that show an improvement in both clinical and immunological parameters of periodontitis and glycemic control in long-term diabetes after treatment of periodontal disease. In addition, scientific evidence confirms that poorer glycemic control contributes to a worse periodontal condition. The interplay between the 2 conditions highlights the importance of the need for a good communication between the internist and dentist about diabetic patients, considering always the possibility that the 2 diseases may be occurring simultaneously in order to ensure an early diagnosis of both. Copyright © 2014 Elsevier España, S.L.U. All rights reserved.

Geometrically Nonlinear Field Fracture Mechanics and Crack Nucleation, Application to Strain Localization Fields in Al-Cu-Li Aerospace Alloys.

PubMed

Gupta, Satyapriya; Taupin, Vincent; Fressengeas, Claude; Jrad, Mohamad

2018-03-27

The displacement discontinuity arising between crack surfaces is assigned to smooth densities of crystal defects referred to as disconnections, through the incompatibility of the distortion tensor. In a dual way, the disconnections are defined as line defects terminating surfaces where the displacement encounters a discontinuity. A conservation statement for the crack opening displacement provides a framework for disconnection dynamics in the form of transport laws. A similar methodology applied to the discontinuity of the plastic displacement due to dislocations results in the concurrent involvement of dislocation densities in the analysis. Non-linearity of the geometrical setting is assumed for defining the elastic distortion incompatibility in the presence of both dislocations and disconnections, as well as for their transport. Crack nucleation in the presence of thermally-activated fluctuations of the atomic order is shown to derive from this nonlinearity in elastic brittle materials, without any algorithmic rule or ad hoc material parameter. Digital image correlation techniques applied to the analysis of tensile tests on ductile Al-Cu-Li samples further demonstrate the ability of the disconnection density concept to capture crack nucleation and relate strain localization bands to consistent disconnection fields and to the eventual occurrence of complex and combined crack modes in these alloys.

Adhesion characterization and defect sizing of sandwich honeycomb composites.

PubMed

Ndiaye, Elhadji Barra; Maréchal, Pierre; Duflo, Hugues

2015-09-01

Defects may appear in composite structures during their life cycle. A 10MHz 128 elements phased array transducer was investigated to characterize join bonds and defects in sandwich honeycomb composite structures. An adequate focal law throughout the composite skin gives the ultrasonic dispersive properties of the composite skin and glue layer behind. The resulting B-scan cartographies allow characterizing locally the honeycomb adhesion. Experimental measurements are compared in good agreement with the Debye Series Method (DSM). In the processed C-scan image, flaws are detectable and measurable, localized both in the scanning plane and in the thickness of the composite skin. Copyright © 2015 Elsevier B.V. All rights reserved.

Quasi-Conformal Remapping For Compensation Of Human Visual Field Defects: Advances In Image Remapping For Human Field Defects

NASA Astrophysics Data System (ADS)

Juday, Richard D.; Loshin, David S.

1989-06-01

We are investigating image coordinate transformations possibly to be used in a low vision aid for human patients. These patients typically have field defects with localized retinal dysfunction predominately central (age related maculopathy) or peripheral (retinitis pigmentosa). Previously we have shown simple eccentricity-only remappings which do not maintain conformality. In this report we present our initial attempts on developing images which hold quasi-conformality after remapping. Although the quasi-conformal images may have less local distortion, there are discontinuities in the image which may counterindicate this type of transformation for the low vision application.

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.

Influence of the wavelet order on proper damage location in plate structures

NASA Astrophysics Data System (ADS)

Pawlak, Zdzisław; Knitter-Piątkowska, Anna

2018-01-01

The rectangular thin plates were analyzed in the paper. The static response in plate structure subjected to the uniform load was derived by applying the finite element method. In the dynamic, experimental tests the accelerations were obtained with the use of modal hammer and DEWEsoft® software. Next, the analysis of the signal was carried out with the use of Discrete Wavelet Transform (DWT), provided that damage exists in the considered plate structure. It was assumed, that in the middle of the structure a certain area of the plate is thinner or there is a crack across the entire plate thickness. The aim of this work was to choose the appropriate wavelet order to reveal the localization of defect. The results of selected numerical example proved the efficiency of proposed approach.

Oxygen Migration and Local Structural Changes with Schottky Defects in Pure Zirconium Oxide Crystals

NASA Astrophysics Data System (ADS)

Terada, Yayoi; Mohri, Tetsuo

2018-05-01

By employing the Buckingham potential, we performed classical molecular-dynamics computer simulations at constant pressure and temperature for a pure ZrO2 crystal without any vacancies and for a pure ZrO2 crystal containing zirconium vacancies and oxygen vacancies. We examined the positions of atoms and vacancies in the steady state, and we investigated the migration behavior of atoms and the local structure of vacancies of the pure ZrO2 crystal. We found that Schottky defects (aggregates consisting of one zirconium vacancy with an effective charge of -4 and two oxygen vacancies each with an effective charge of +2 to maintain charge neutrality) are the main defects formed in the steady state in cubic ZrO2, and that oxygen migration occurs through a mechanism involving vacancies on the oxygen sublattice near such defects. We also found that several oxygen atoms near each defect are displaced far from the sublattice site and induce oxygen migration.

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.

Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride.

PubMed

Reimers, Jeffrey R; Sajid, A; Kobayashi, Rika; Ford, Michael J

2018-03-13

Defect states in 2-D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and compare results from 13 DFT and ab initio computational methods for up to 25 excited states of a paradigm system, the V N C B defect in hexagonal boron nitride (h-BN). Studied include: (i) potentially catastrophic effects for computational methods arising from the multireference nature of the closed-shell and open-shell states of the defect, which intrinsically involves broken chemical bonds, (ii) differing results from DFT and time-dependent DFT (TDDFT) calculations, (iii) comparison of cluster models to periodic-slab models of the defect, (iv) the starkly differing effects of nuclear relaxation on the various electronic states that control the widths of photoabsorption and photoemission spectra as broken bonds try to heal, (v) the effect of zero-point energy and entropy on free-energy differences, (vi) defect-localized and conduction/valence-band transition natures, and (vii) strategies needed to ensure that the lowest-energy state of a defect can be computationally identified. Averaged state-energy differences of 0.3 eV are found between CCSD(T) and MRCI energies, with thermal effects on free energies sometimes also being of this order. However, DFT-based methods can perform very poorly. Simple generalized-gradient functionals like PBE fail at the most basic level and should never be applied to defect states. Hybrid functionals like HSE06 work very well for excitations within the triplet manifold of the defect, with an accuracy equivalent to or perhaps exceeding the accuracy of the ab initio methods used. However, HSE06 underestimates triplet-state energies by on average of 0.7 eV compared to closed-shell singlet states, while open-shell singlet states are predicted to be too low in energy by 1.0 eV. This leads to misassignment of the ground state of the V N C B defect. Long-range corrected functionals like CAM-B3LYP are shown to work much better and to represent the current entry level for DFT calculations on defects. As significant differences between cluster and periodic-slab models are also found, the widespread implementation of such functionals in periodic codes is in urgent need.

The local administration of parathyroid hormone encourages the healing of bone defects in the rat calvaria: Micro-computed tomography, histological and histomorphometric evaluation.

PubMed

Auersvald, Caroline Moreira; Santos, Felipe Rychuv; Nakano, Mayara Mytie; Leoni, Graziela Bianchi; de Sousa Neto, Manoel Damião; Scariot, Rafaela; Giovanini, Allan Fernando; Deliberador, Tatiana Miranda

2017-07-01

To evaluate the effect of a single-dose local administration of PTH on bone healing in rat calvarial bone defects by means of micro-computed tomography, histological and histomorphometric analysis. Critical-size cranial osteotomy defects were created in 42 male rats. The animals were randomly divided into 3 groups. In the C Group, the bone defect was only filled with a blood clot. In the S Group, it was filled with a collagen sponge and covered with bovine cortical membrane. In the PTH Group, the defect was filled with a collagen sponge soaked with PTH and covered with bovine cortical membrane. The groups were further split in two for euthanasia 15 and 60days post-surgery. Data was statistically analyzed with t-tests for independent samples or the nonparametric Mann-Whitney test when applicable. Intragroup comparisons were analyzed with paired t-tests (p<0.05). Micro-CT analysis results did not demonstrate statistically significant intergroup differences. At 15days post-surgery, the histomorphometric analysis showed that the PTH Group exhibited a significantly higher percentage of bone formation compared with the S Group. At 60days post-surgery, a higher percentage of new bone was observed in the PTH group. The results suggest that the local administration of PTH encouraged the bone healing in critical-size calvarial defects in rats. Copyright © 2017 Elsevier Ltd. All rights reserved.

Energetics of defects formation and oxygen migration in pyrochlore compounds from first principles calculations

NASA Astrophysics Data System (ADS)

Li, Yan; Kowalski, Piotr M.

2018-07-01

In order to get better understanding of the selective order-disorder transition in pyrochlore compounds, using ab initio methods we calculated the formation energies of coupled cation anti-site and anion Frenkel pair defects and the energy barriers for the oxygen migration for number of families of A2B2 O7 pyrochlore-type compounds. While these parameters have been previously computed with force field-based methods, the ab initio results provide more reliable values that can be confidently used in subsequent analysis. We found a fairly good correlation between the formation energies of the coupled defects and the stability field of pyrochlores. In line with previous studies, the compounds that crystallize in defect fluorite structure are found to have smaller values of coupled defect formation energies than those crystallizing in the pyrochlore phase, although the correlation is not that sharp as in the case of isolated anion Frenkel pair defect. The investigation of the energy barriers for the oxygen migration shows that it is not a good, sole indicator of the tendency of the order-disorder phase transition in pyrochlores. However, we found that the oxygen migration barrier is reduced in the presence of the cation antisite defect. This points at disordering-induced enhancement of oxygen diffusion in pyrochlore compounds.

Reconstruction of large cranial defects in the presence of heavy radiation damage and infection utilizing tissue transferred by microvascular anastomoses

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

Robson, M.C.; Zachary, L.S.; Schmidt, D.R.

1989-03-01

Six cases of large defects of the scalp, skull, and dura following tumor ablation and radiation are presented. Each was accompanied by chronic infection in the irradiated defect. Efforts to reconstruct the resulting defects with local flaps were not successful. One-stage reconstruction was then accomplished in each case utilizing a latissimus dorsi musculocutaneous or myo-osteocutaneous free flap transferred by microvascular anastomoses. The versatility of the latissimus dorsi musculocutaneous and/or osseous flap allows single-stage reconstruction of these complex defects.

Non-Invasive Optical Characterization of Defects in Gallium Arsenide.

NASA Astrophysics Data System (ADS)

Cao, Xuezhong

This work is concerned with the development of a non-invasive comprehensive defect analysis system based on computer-assisted near infrared (NIR) microscopy. Focus was placed on the development of software for quantitative image analysis, contrast enhancement, automated defects density counting, and two-dimensional defect density mapping. Bright field, dark field, phase contrast, and polarized light imaging modes were explored for the analysis of striations, precipitates, decorated and undecorated dislocations, surface and subsurface damage, and local residual strain in GaAs wafers. The origin of the contrast associated with defect image formation in NIR microscopy was analyzed. The local change in the index of refraction about a defect was modelled as a mini-lens. This model can explain reversal of image contrast for dislocations in heavily doped n-type GaAs during defocusing. Defect structures in GaAs crystals grown by the conventional liquid encapsulated Czochralski (LEC) method are found to differ significantly from those grown by the horizontal Bridgman (HB) or vertical gradient freeze (VGF) method. Dislocation densities in HB and VGF GaAs are one to two orders of magnitude lower compared to those in conventional LEC GaAs. The dislocations in HB and VGF GaAs remain predominantly on the {111}/<1 |10> primary slip system and tend to form small-angle subboundaries. Much more complicated dislocation structures are found in conventional LEC GaAs. Dislocation loops, dipoles, and helices were observed, indicating strong interaction between dislocations and point defects in these materials. Precipitates were observed in bulk GaAs grown by the LEC, HB, and VGF methods. Precipitation was found to occur predominantly along dislocation lines, however, discrete particles were also observed in dislocation-free regions of the GaAs matrix. The size of discrete precipitates is much smaller than that of the precipitates along dislocations. Quenching after high temperature annealing at 1150^ circC was found effective in dissolving the precipitates but glide dislocations are generated during the quenching process. STEM/EDX analysis showed that the precipitates are essentially pure arsenic in both undoped and doped GaAs. NIR phase contrast transmission microscopy was found to be very sensitive in detecting surface and subsurface damage on commercial GaAs wafers. Wafers from a number of GaAs manufacturers were examined. It was shown that some GaAs wafers exhibit perfect surface quality, but in many instances they exhibit, to various extents, subsurface damage. Computer-assisted NIR transmission microscopy in a variety of modes is found to be a rapid and non-invasive technique suitable for wafer characterization in a fabline environment. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.) (Abstract shortened by UMI.).

Comparison of localized retinal nerve fiber layer defects between a low-teen intraocular pressure group and a high-teen intraocular pressure group in normal-tension glaucoma patients.

PubMed

Kim, Dong Myung; Seo, Je Hyun; Kim, Seok Hwan; Hwang, Seung-Sik

2007-05-01

To compare the features of localized retinal nerve fiber layer (RNFL) defects between a low-teen intraocular pressure (IOP) group and a high-teen IOP group in normal-tension glaucoma (NTG) patients. Seventy-seven eyes of 77 NTG patients showing localized RNFL defects on RNFL photographs and corresponding visual filed defects at the initial visit to a glaucoma specialist were selected for this study. Patients with range of diurnal IOP within low-teen or high-teen in both eyes were included. All participants completed refraction, diurnal IOP measurement, central corneal thickness (CCT) measurement, stereoscopic disc photography, RNFL photography, and automated perimetry. On RNFL photograph, approximation of the defect to the macula (angle alpha) and width of the defects (angle beta) were measured to represent RNFL defects. The patients were divided into 2 groups according to the level of IOP. A low-teen group had highest IOP of 15 mm Hg (group B). Age at diagnosis, percentage of male patients, systemic disease, refraction, CCT, highest IOP, angle alpha, angle beta, and mean deviation and pattern standard deviation of visual field were compared between the 2 groups. Age at diagnosis of NTG, age distribution, percentage of male patients, systemic disease, spherical equivalent of refraction, CCT, mean deviation, and pattern standard deviation were not different between the 2 groups. Highest IOP was 13.8+/-1.2 mm Hg in group A and 19.2+/-1.4 mm Hg in group B (P<0.001). Angle alpha was significantly smaller in group A than in group B (37.0+/-14.0 vs. 56.5+/-21.2 degrees, P<0.001), whereas angle beta was not different between the 2 groups (39.9+/-17.9 vs. 37.5+/-15.9 degrees, P=0.54). There were no significant correlations between spherical equivalent and angle alpha (r=-0.03, P=0.82), between spherical equivalent and angle beta (r=-0.04, P=0.74), and between angle alpha and angle beta (r=-0.21, P=0.07). Localized RNFL defect was closer to the center of the macula in group A than in group B, whereas width of defects was not different between the 2 groups. These findings provide indirect evidence to suggest that more than one pathogenic mechanism may exist in the development of RNFL defects in NTG.

Evaluation of anti-sticking layers performances for 200mm wafer scale Smart NILTM process through surface and defectivity characterizations

NASA Astrophysics Data System (ADS)

Delachat, F.; Phillipe, J.-C.; Larrey, V.; Fournel, F.; Bos, S.; Teyssèdre, H.; Chevalier, Xavier; Nicolet, Célia; Navarro, Christophe; Cayrefourcq, Ian

2018-03-01

In this work, an evaluation of various ASL processes for 200 mm wafer scale in the HERCULES® NIL equipment platform available at the CEA-Leti through the INSPIRE program is reported. The surface and adherence energies were correlated to the AFM and defectivity results in order to select the most promising ASL process for high resolution etch mask applications. The ASL performances of the selected process were evaluated by multiple working stamp fabrication using unpatterned and patterned masters though defectivity monitoring on optical based-inspection tools. Optical and SEM defect reviews were systematically performed. Multiple working stamps fabrication without degradation of the master defectivity was witnessed. This evaluation enabled to benchmark several ASL solutions based on the grafted technology develop by ARKEMA in order to reduce and optimize the soft stamp defectivity prior to its replication and therefore considerably reduce the final imprint defectivity for the Smart NIL process.

Defect Characteristics of Reverse Hill-Sachs Lesions.

PubMed

Moroder, Philipp; Tauber, Mark; Scheibel, Markus; Habermeyer, Peter; Imhoff, Andreas B; Liem, Dennis; Lill, Helmut; Buchmann, Stefan; Wolke, Julia; Guevara-Alvarez, Alberto; Salmoukas, Katharina; Resch, Herbert

2016-03-01

Little scientific evidence regarding reverse Hill-Sachs lesions (RHSLs) in posterior shoulder instability exists. Recently, standardized measurement methods of the size and localization were introduced, and the biomechanical effect of the extent and position of the defects on the risk of re-engagement was determined. To analyze the characteristics and patterns of RHSLs in a large case series using standardized measurements and to interpret the results based on the newly available biomechanical findings. Case series; Level of evidence, 4. In this multicenter study, 102 cases of RHSLs in 99 patients were collected from 7 different shoulder centers between 2004 and 2013. Patient- as well as injury-specific information was gathered, and defect characteristics in terms of the size, localization, and depth index were determined on computed tomography or magnetic resonance imaging scans by means of standardized measurements. Additionally, the position (gamma angle) of the posterior defect margin as a predictor of re-engagement was analyzed. Three types of an RHSL were distinguished based on the pathogenesis and chronicity of the lesion: dislocation (D), locked dislocation (LD), and chronic locked dislocation (CLD). While the localization of the defects did not vary significantly between the subgroups (P = .072), their mean size differed signficantly (D: 32.6° ± 11.7°, LD: 49.4° ± 17.2°, CLD: 64.1° ± 20.7°; P < .001). The mean gamma angle as a predictor of re-engagement was similarly significantly different between groups (D: 83.8° ± 14.5°, LD: 96.5° ± 17.9°, CLD: 108.7° ± 18.4°; P < .001). The orientation of the posterior defect margin was consistently quite parallel to the humeral shaft axis, with a mean difference of 0.3° ± 8.1°. The distinction between the 3 different RHSL types based on the pathogenesis and chronicity of the defect helps identify defects prone to re-engagement. The gamma angle as a measurement of the position of the posterior defect margin and therefore a predictor of re-engagement varies significantly between the defect types. © 2016 The Author(s).

Defect-induced ferromagnetism in ZnO nanoparticles prepared by mechanical milling

NASA Astrophysics Data System (ADS)

Phan, The-Long; Zhang, Y. D.; Yang, D. S.; Nghia, N. X.; Thanh, T. D.; Yu, S. C.

2013-02-01

Though ZnO is known as a diamagnetic material, recent studies have revealed that its nanostructures can be ferromagnetic (FM). The FM origin has been ascribed to intrinsic defects. This work shines light on an alternate method based on mechanical milling to induce defect-related ferromagnetism in ZnO nanoparticles (NPs) from initial diamagnetic ZnO powders. Our idea is motivated by the fact that mechanical milling introduces more defects to a ground material. We point out that the FM order increases with increasing the density of defects in ZnO NPs. The experimental results obtained from analyzing X-ray absorption, electron spin resonance, and Raman scattering spectra demonstrate that the ferromagnetism in ZnO NPs is due to intrinsic defects mainly related to oxygen and zinc vacancies. Among these, zinc vacancies play a decisive role in introducing a high FM order in ZnO NPs.

Curvature-induced defect unbinding and dynamics in active nematic toroids

NASA Astrophysics Data System (ADS)

Ellis, Perry W.; Pearce, Daniel J. G.; Chang, Ya-Wen; Goldsztein, Guillermo; Giomi, Luca; Fernandez-Nieves, Alberto

2018-01-01

Nematic order on curved surfaces is often disrupted by the presence of topological defects, which are singular regions in which the orientational order is undefined. In the presence of force-generating active materials, these defects are able to migrate through space like swimming microorganisms. We use toroidal surfaces to show that despite their highly chaotic and non-equilibrium dynamics, pairs of defects unbind and segregate in regions of opposite Gaussian curvature. Using numerical simulations, we find that the degree of defect unbinding can be controlled by tuning the system activity, and even suppressed in strongly active systems. Furthermore, by using the defects as active microrheological tracers and quantitatively comparing our experimental and theoretical results, we are able to determine material properties of the active nematic. Our results illustrate how topology and geometry can be used to control the behaviour of active materials, and introduce a new avenue for the quantitative mechanical characterization of active fluids.

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.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials

NASA Astrophysics Data System (ADS)

Hu, Wanbiao; Liu, Yun; Withers, Ray L.; Frankcombe, Terry J.; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO2 rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 104) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that ‘triangular’ In23+VO••Ti3+ and ‘diamond’ shaped Nb25+Ti3+ATi (A  =  Ti3+/In3+/Ti4+) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO2. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials.

PubMed

Hu, Wanbiao; Liu, Yun; Withers, Ray L; Frankcombe, Terry J; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO₂ rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 10(4)) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that 'triangular' In₂(3+)Vo(••)Ti(3+) and 'diamond' shaped Nb₂(5+)Ti(3+)A(Ti) (A = Ti(3+)/In(3+)/Ti(4+)) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO₂. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Amorphization resistance of nano-engineered SiC under heavy ion irradiation

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

Imada, Kenta; Ishimaru, Manabu; Xue, Haizhou

Silicon carbide (SiC) with a high-density of planar defects (hereafter, ‘nano-engineered SiC’) and epitaxially-grown single-crystalline 3C-SiC were simultaneously irradiated with Au ions at room temperature, in order to compare their relative resistance to radiation-induced amorphization. Furthermore, it was found that the local threshold dose for amorphization is comparable for both samples under 2 MeV Au ion irradiation; whereas, nano-engineered SiC exhibits slightly greater radiation tolerance than single crystalline SiC under 10 MeV Au irradiation. Under 10 MeV Au ion irradiation, the dose for amorphization increased by about a factor of two in both nano-engineered and single crystal SiC due tomore » the local increase in electronic energy loss that enhanced dynamic recovery.« less

Amorphization resistance of nano-engineered SiC under heavy ion irradiation

DOE PAGES

Imada, Kenta; Ishimaru, Manabu; Xue, Haizhou; ...

2016-06-19

Silicon carbide (SiC) with a high-density of planar defects (hereafter, ‘nano-engineered SiC’) and epitaxially-grown single-crystalline 3C-SiC were simultaneously irradiated with Au ions at room temperature, in order to compare their relative resistance to radiation-induced amorphization. Furthermore, it was found that the local threshold dose for amorphization is comparable for both samples under 2 MeV Au ion irradiation; whereas, nano-engineered SiC exhibits slightly greater radiation tolerance than single crystalline SiC under 10 MeV Au irradiation. Under 10 MeV Au ion irradiation, the dose for amorphization increased by about a factor of two in both nano-engineered and single crystal SiC due tomore » the local increase in electronic energy loss that enhanced dynamic recovery.« less

The electronic transport properties of defected bilayer sliding armchair graphene nanoribbons

NASA Astrophysics Data System (ADS)

Mohammadi, Amin; Haji-Nasiri, Saeed

2018-04-01

By applying non-equilibrium Green's functions (NEGF) in combination with tight-binding (TB) model, we investigate and compare the electronic transport properties of perfect and defected bilayer armchair graphene nanoribbons (BAGNRs) under finite bias. Two typical defects which are placed in the middle of top layer (i.e. single vacancy (SV) and stone wale (SW) defects) are examined. The results reveal that in both perfect and defected bilayers, the maximum current refers to β-AB, AA and α-AB stacking orders, respectively, since the intermolecular interactions are stronger in them. Moreover it is observed that a SV decreases the current in all stacking orders, but the effects of a SW defect is nearly unpredictable. Besides, we introduced a sequential switching behavior and the effects of defects on the switching performance is studied as well. We found that a SW defect can significantly improve the switching behavior of a bilayer system. Transmission spectrum, band structure, molecular energy spectrum and molecular projected self-consistent Hamiltonian (MPSH) are analyzed subsequently to understand the electronic transport properties of these bilayer devices which can be used in developing nano-scale bilayer systems.

Solving Upwind-Biased Discretizations: Defect-Correction Iterations

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

1999-01-01

This paper considers defect-correction solvers for a second order upwind-biased discretization of the 2D convection equation. The following important features are reported: (1) The asymptotic convergence rate is about 0.5 per defect-correction iteration. (2) If the operators involved in defect-correction iterations have different approximation order, then the initial convergence rates may be very slow. The number of iterations required to get into the asymptotic convergence regime might grow on fine grids as a negative power of h. In the case of a second order target operator and a first order driver operator, this number of iterations is roughly proportional to h-1/3. (3) If both the operators have the second approximation order, the defect-correction solver demonstrates the asymptotic convergence rate after three iterations at most. The same three iterations are required to converge algebraic error below the truncation error level. A novel comprehensive half-space Fourier mode analysis (which, by the way, can take into account the influence of discretized outflow boundary conditions as well) for the defect-correction method is developed. This analysis explains many phenomena observed in solving non-elliptic equations and provides a close prediction of the actual solution behavior. It predicts the convergence rate for each iteration and the asymptotic convergence rate. As a result of this analysis, a new very efficient adaptive multigrid algorithm solving the discrete problem to within a given accuracy is proposed. Numerical simulations confirm the accuracy of the analysis and the efficiency of the proposed algorithm. The results of the numerical tests are reported.

The hydration structure at yttria-stabilized cubic zirconia (110)-water interface with sub-Ångström resolution

DOE PAGES

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; ...

2016-06-15

The interfacial hydration structure of yttria-stabilized cubic zirconia (110) surface in contact with water was determined with ~0.5 Å resolution by high-resolution X-ray reflectivity measurement. The terminal layer shows a reduced electron density compared to the following substrate lattice layers, which indicates there are additional defects generated by metal depletion as well as intrinsic oxygen vacancies, both of which are apparently filled by water species. Above this top surface layer, two additional adsorbed layers are observed forming a characteristic interfacial hydration structure. The first adsorbed layer shows abnormally high density as pure water and likely includes metal species, whereas themore » second layer consists of pure water. The observed interfacial hydration structure seems responsible for local equilibration of the defective surface in water and eventually regulating the long-term degradation processes. As a result, the multitude of water interactions with the zirconia surface results in the complex but highly ordered interfacial structure constituting the reaction front.« less

Reducing the nucleation barrier in magnetocaloric Heusler alloys by nanoindentation

NASA Astrophysics Data System (ADS)

Niemann, R.; Hahn, S.; Diestel, A.; Backen, A.; Schultz, L.; Nielsch, K.; Wagner, M. F.-X.; Fähler, S.

2016-06-01

Magnetocaloric materials are promising as solid state refrigerants for more efficient and environmentally friendly cooling devices. The highest effects have been observed in materials that exhibit a first-order phase transition. These transformations proceed by nucleation and growth which lead to a hysteresis. Such irreversible processes are undesired since they heat up the material and reduce the efficiency of any cooling application. In this article, we demonstrate an approach to decrease the hysteresis by locally changing the nucleation barrier. We created artificial nucleation sites and analyzed the nucleation and growth processes in their proximity. We use Ni-Mn-Ga, a shape memory alloy that exhibits a martensitic transformation. Epitaxial films serve as a model system, but their high surface-to-volume ratio also allows for a fast heat transfer which is beneficial for a magnetocaloric regenerator geometry. Nanoindentation is used to create a well-defined defect. We quantify the austenite phase fraction in its proximity as a function of temperature which allows us to determine the influence of the defect on the transformation.

Reconstruction With Pedicled Anterolateral Thigh Flap After Wide Local Excision of Penoscrotal Extramammary Paget's Disease: A Case Report and Comprehensive Literature Review

PubMed Central

Skinner, Eila C.; Lee, Gordon K.

2015-01-01

Objective: The clinical characteristics, management, and prognostic indicators of penoscrotal extramammary Paget's disease are not clearly defined. Surgical excision is often an effective treatment modality but results in a large wound after resection of all involved tissues. Methods: Reconstruction of large penoscrotal soft-tissue defects after wide local excision remains a challenge to the reconstructive surgeon. The use of the anterolateral thigh flap for penoscrotal reconstruction after resection of extramammary Paget's disease is infrequent as a reconstruction tool throughout the literature. Results: We discuss a case where the anterolateral thigh flap was effectively used for reconstruction of a large penoscrotal defect after wide local excision of penoscrotal extramammary Paget's disease and present a comprehensive literature review of extramammary Paget's disease key features, diagnosis, prognosis, and treatment. Conclusions: The anterolateral thigh flap is a useful tool for penoscrotal defect reconstruction. PMID:26171098

Electronic structure of oxygen-vacancy defects in amorphous In-Ga-Zn-O semiconductors

NASA Astrophysics Data System (ADS)

Noh, Hyeon-Kyun; Chang, K. J.; Ryu, Byungki; Lee, Woo-Jin

2011-09-01

We perform first-principles density functional calculations to investigate the atomic and electronic properties of various O-vacancy (VO) defects in amorphous indium gallium zinc oxides (a-IGZO). The formation energies of VO have a tendency to increase with increasing number of neighboring Ga atoms, whereas they are generally low in the environment surrounded with In atoms. Thus, adding Ga atoms suppresses the formation of O-deficiency defects, which are considered as the origin of device instability in a-IGZO-based thin film transistors. The conduction band edge state is characterized by the In s orbital and insensitive to disorder, in good agreement with the experimental finding that increasing the In content enhances the carrier density and mobility. In a-IGZO, while most VO defects are deep donors, some of the defects act as shallow donors due to local environments different from those in crystalline oxides. As ionized O vacancies can capture electrons, it is suggested that these defects are responsible for positive shifts of the threshold voltage observed under positive gate bias stress. Under light illumination stress, VO defects can be ionized, becoming VO2+ defects due to the negative-U behavior. When electrons are captured by applying a negative bias voltage, ionized VO2+ defects return to the original neutral charge state. Through molecular dynamics simulations, we find that the initial neutral state is restored by annealing, in good agreement with experiments, although the annealing temperature depends on the local environment. Our calculations show that VO defects play an important role in the instability of a-IGZO-based devices.

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

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

Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu; Groh, S.

2014-08-14

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

Collimator optimization in myocardial perfusion SPECT using the ideal observer and realistic background variability for lesion detection and joint detection and localization tasks

NASA Astrophysics Data System (ADS)

Ghaly, Michael; Du, Yong; Links, Jonathan M.; Frey, Eric C.

2016-03-01

In SPECT imaging, collimators are a major factor limiting image quality and largely determine the noise and resolution of SPECT images. In this paper, we seek the collimator with the optimal tradeoff between image noise and resolution with respect to performance on two tasks related to myocardial perfusion SPECT: perfusion defect detection and joint detection and localization. We used the Ideal Observer (IO) operating on realistic background-known-statistically (BKS) and signal-known-exactly (SKE) data. The areas under the receiver operating characteristic (ROC) and localization ROC (LROC) curves (AUCd, AUCd+l), respectively, were used as the figures of merit for both tasks. We used a previously developed population of 54 phantoms based on the eXtended Cardiac Torso Phantom (XCAT) that included variations in gender, body size, heart size and subcutaneous adipose tissue level. For each phantom, organ uptakes were varied randomly based on distributions observed in patient data. We simulated perfusion defects at six different locations with extents and severities of 10% and 25%, respectively, which represented challenging but clinically relevant defects. The extent and severity are, respectively, the perfusion defect’s fraction of the myocardial volume and reduction of uptake relative to the normal myocardium. Projection data were generated using an analytical projector that modeled attenuation, scatter, and collimator-detector response effects, a 9% energy resolution at 140 keV, and a 4 mm full-width at half maximum (FWHM) intrinsic spatial resolution. We investigated a family of eight parallel-hole collimators that spanned a large range of sensitivity-resolution tradeoffs. For each collimator and defect location, the IO test statistics were computed using a Markov Chain Monte Carlo (MCMC) method for an ensemble of 540 pairs of defect-present and -absent images that included the aforementioned anatomical and uptake variability. Sets of test statistics were computed for both tasks and analyzed using ROC and LROC analysis methodologies. The results of this study suggest that collimators with somewhat poorer resolution and higher sensitivity than those of a typical low-energy high-resolution (LEHR) collimator were optimal for both defect detection and joint detection and localization tasks in myocardial perfusion SPECT for the range of defect sizes investigated. This study also indicates that optimizing instrumentation for a detection task may provide near-optimal performance on the more challenging detection-localization task.

Impact of vacancy ordering on thermal transport in crystalline phase-change materials.

PubMed

Siegert, K S; Lange, F R L; Sittner, E R; Volker, H; Schlockermann, C; Siegrist, T; Wuttig, M

2015-01-01

Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge-Sb-Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb2Te3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more 'crystal-like' thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials.

Impact of vacancy ordering on thermal transport in crystalline phase-change materials

NASA Astrophysics Data System (ADS)

Siegert, K. S.; Lange, F. R. L.; Sittner, E. R.; Volker, H.; Schlockermann, C.; Siegrist, T.; Wuttig, M.

2015-01-01

Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge-Sb-Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb2Te3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more ‘crystal-like’ thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials.

Transitional behaviour of thickness effects in shipbuilding materials (MS plate)

NASA Astrophysics Data System (ADS)

Mahmud, S. M. Ikhtiar; Razib, Amirul Hasan; Rahman, Md. Rabab Raiyatur

2017-12-01

Majority of the crack propagation in ships and offshore structures are caused due to fatigue. Previously, it was known that fatigue strength of notched specimen is dependent on size, but recently it came to light that fatigue strength of some welded joints depends on the thickness. Much investigation is done on the fatigue growth of welded joints. Fatigue often results in fracture accidents, which starts from the sites of structural discontinuities because of the reason that they may induce local stress concentrations. Structural discontinuities include notches, holes, sharp corners, and weld defects. Weld defects include undercut, porosity, lack of fusion, slag inclusion, incomplete weld root penetration, and misalignments. In order to investigate the effects of plate thickness on fatigue strength, semi-elliptical side notches (U and V shaped) in plates are studied in the present research. First consider a simple problem of crack emanating from notches in plates where the solution of stress intensity factor is given by an empirical formula so that the thickness effect on fatigue strength can easily be investigated for a variety of geometrical parameters. The present study aims to investigate the transitional behaviour of thickness effect in plates on fatigue strength. In order to calculate the stress, finite element analysis is carried by using ANSYS.

Elastic interactions between two-dimensional geometric defects

NASA Astrophysics Data System (ADS)

Moshe, Michael; Sharon, Eran; Kupferman, Raz

2015-12-01

In this paper, we introduce a methodology applicable to a wide range of localized two-dimensional sources of stress. This methodology is based on a geometric formulation of elasticity. Localized sources of stress are viewed as singular defects—point charges of the curvature associated with a reference metric. The stress field in the presence of defects can be solved using a scalar stress function that generalizes the classical Airy stress function to the case of materials with nontrivial geometry. This approach allows the calculation of interaction energies between various types of defects. We apply our methodology to two physical systems: shear-induced failure of amorphous materials and the mechanical interaction between contracting cells.

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.

A multi-year survey of stem-end chip defect in chipping potatoes (Solanum tuberosum L.)

USDA-ARS?s Scientific Manuscript database

One of the most serious tuber quality concerns of US chip potato growers is stem-end chip defect, which is defined as a localized post-fry discoloration in and adjacent to the vasculature on the stem end portion of potato chips. The incidence and severity of stem-end chip defect vary with growing lo...

Modeling and experimental methods to predict oxygen distribution in bone defects following cell transplantation.

PubMed

Heylman, Christopher M; Santoso, Sharon; Krebs, Melissa D; Saidel, Gerald M; Alsberg, Eben; Muschler, George F

2014-04-01

We have developed a mathematical model that allows simulation of oxygen distribution in a bone defect as a tool to explore the likely effects of local changes in cell concentration, defect size or geometry, local oxygen delivery with oxygen-generating biomaterials (OGBs), and changes in the rate of oxygen consumption by cells within a defect. Experimental data for the oxygen release rate from an OGB and the oxygen consumption rate of a transplanted cell population are incorporated into the model. With these data, model simulations allow prediction of spatiotemporal oxygen concentration within a given defect and the sensitivity of oxygen tension to changes in critical variables. This information may help to minimize the number of experiments in animal models that determine the optimal combinations of cells, scaffolds, and OGBs in the design of current and future bone regeneration strategies. Bone marrow-derived nucleated cell data suggest that oxygen consumption is dependent on oxygen concentration. OGB oxygen release is shown to be a time-dependent function that must be measured for accurate simulation. Simulations quantify the dependency of oxygen gradients in an avascular defect on cell concentration, cell oxygen consumption rate, OGB oxygen generation rate, and OGB geometry.

Operative treatment of functional facial skin disorders

PubMed Central

Scheithauer, Marc Oliver; Rettinger, Gerhard

2005-01-01

The skin is the principal interface between the body and the surrounding world and thus serves as a protective barrier against trauma, temperature extremes and radiation. With receptors for pressure, movement, heat and cold, it also acts as sensory organ and through sweat secretion plays a role in thermoregulation and electrolyte metabolism. Not all of these functions are relevant to facial skin, however, cosmetic aspects are of vital importance. Disorders primarily affect the protective skin function in defect and scar areas. For operative correction, the following principles should be applied: Minimization of scar development by adherence to indicated incision lines in the face, preferred use of local skin flaps for defect coverage in order to obtain optimal results regarding texture, complexion and sensitivity of skin, as well as consideration of aesthetic units. Recent developments in this field are tissue culture, occlusive dressings, and the use of growth factors. Age-related skin changes with impairment of cosmetic function are characterized by the development of creases and looseness of skin. Rejuvenation has become an important segment of skin surgery. For surface treatment, especially of creases and acne scars, various types of laser treatment are employed. Deeper lines can be filled with filler materials. The integration of the superficial musculoaponeurotic system (SMAS) into face lift procedures has lead to more viable and natural results. Due to protruding tissue, blepharoplasty of the upper lid is often carried out in combination with forehead lift and eyebrow lift procedures. The optimized use of growth factors and synthetic materials, which serve as a matrix, are aimed at skin replacement which mimics the quality and functions of skin as closely as possible. On the whole, however, the reconstruction of defect through local tissue transfer is still considered as the treatment of choice. PMID:22073066

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.

Site-selective local fluorination of graphene induced by focused ion beam irradiation.

PubMed

Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas; Sanyal, Biplab; Eriksson, Olle; Aubel, Dominique; Hajjar-Garreau, Samar; Simon, Laurent; Leifer, Klaus

2016-01-29

The functionalization of graphene remains an important challenge for numerous applications expected by this fascinating material. To keep advantageous properties of graphene after modification or functionalization of its structure, local approaches are a promising road. A novel technique is reported here that allows precise site-selective fluorination of graphene. The basic idea of this approach consists in the local radicalization of graphene by focused ion beam (FIB) irradiation and simultaneous introduction of XeF2 gas. A systematic series of experiments were carried out to outline the relation between inserted defect creation and the fluorination process. Based on a subsequent X-ray photoelectron spectroscopy (XPS) analysis, a 6-fold increase of the fluorine concentration on graphene under simultaneous irradiation was observed when compared to fluorination under normal conditions. The fluorine atoms are predominately localized at the defects as indicated from scanning tunneling microscopy (STM). The experimental findings are confirmed by density functional theory which predicts a strong increase of the binding energy of fluorine atoms when bound to the defect sites. The developed technique allows for local fluorination of graphene without using resists and has potential to be a general enabler of site-selective functionalization of graphene using a wide range of gases.

Site-selective local fluorination of graphene induced by focused ion beam irradiation

NASA Astrophysics Data System (ADS)

Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas; Sanyal, Biplab; Eriksson, Olle; Aubel, Dominique; Hajjar-Garreau, Samar; Simon, Laurent; Leifer, Klaus

2016-01-01

The functionalization of graphene remains an important challenge for numerous applications expected by this fascinating material. To keep advantageous properties of graphene after modification or functionalization of its structure, local approaches are a promising road. A novel technique is reported here that allows precise site-selective fluorination of graphene. The basic idea of this approach consists in the local radicalization of graphene by focused ion beam (FIB) irradiation and simultaneous introduction of XeF2 gas. A systematic series of experiments were carried out to outline the relation between inserted defect creation and the fluorination process. Based on a subsequent X-ray photoelectron spectroscopy (XPS) analysis, a 6-fold increase of the fluorine concentration on graphene under simultaneous irradiation was observed when compared to fluorination under normal conditions. The fluorine atoms are predominately localized at the defects as indicated from scanning tunneling microscopy (STM). The experimental findings are confirmed by density functional theory which predicts a strong increase of the binding energy of fluorine atoms when bound to the defect sites. The developed technique allows for local fluorination of graphene without using resists and has potential to be a general enabler of site-selective functionalization of graphene using a wide range of gases.

Electronic excitations and defects in fluoroperovskite LiBaF3

NASA Astrophysics Data System (ADS)

Springis, Maris; Brikmane, Liga; Tale, Ivar; Kulis, Peteris

2003-08-01

A survey of the present situation with respect to knowledge of lattice defects, electronic excitations, such as excitons and localized excitons, as well as energy storage and transfer phenomena in LiBaF3 crystals is given. Both phenomenological models and experimental interpretations of optical absorption bands, tentatively associated with F-type (electron) centers created by X-ray or electron irradiation, is reviewed. Interpretation of three radiative processes (super-fast core-valence transitions, slow trapped exciton luminescence and luminescence of structure defects) observed in undoped LiBaF3 crystals is analyzed with respect to practical application. Attention is paid to the behavior of ultraviolet emission so far ascribed to self-trapped exciton luminescence and also observed as a result of electron recombination with localized hole at various temperatures (even at room temperature), depending on crystal purity and growth conditions. Finally, some aspects of ionic processes in thermal relaxation of defects are pointed to.

Characterization of micron-sized, optical coating defects by photothermal deflection microscopy

NASA Astrophysics Data System (ADS)

Abate, J. A.; Schmid, A. W.; Guardalben, M. G.; Smith, D. J.; Jacobs, S. D.

1984-04-01

Information about the localized absorbing defects in optical thin films is required for a better understanding of laser induced damage. Photothermal deflection microscopy offers a nondestructive optical diagnostic which yields spatially resolved absorption data on simple and multiple layer AR and HR dielectric coatings. The computer controlled apparatus used to generate absorption maps of dielectric thin films and an experiment in which a partial correlation between localized absorption sites and damage caused by nanosecond laser irradiation at 351 nm is established are described. An absolute calibration of absorption for our measurement technique is presented here. Micron sized absorbtive defects of Cu were introduced into our coatings to provide a means of calibration. Also presented here are some preliminary data on the modification of the absorption signatures measured by photothermal deflection as a function of the location of the defect within the coating layers.

SrFe1‑xMoxO2+δ : parasitic ferromagnetism in an infinite-layer iron oxide with defect structures induced by interlayer oxygen

NASA Astrophysics Data System (ADS)

Guo, Jianhui; Shi, Lei; Zhao, Jiyin; Wang, Yang; Yuan, Xueyou; Li, Yang; Wu, Liang

2018-04-01

The recent discovered compound SrFeO2 is an infinite-layer-structure iron oxide with unusual square-planar coordination of Fe2+ ions. In this study, SrFe1‑xMoxO2+δ (x < 0.12) is obtained by crystal transformation from SrFe1‑xMoxO3‑δ perovskite via low-temperature (≤380 °C) topotactic reduction. The parasitic ferromagnetism of the compound and its relationship to the defect structures are investigated. It is found that substitution of high-valent Mo6+ for Fe2+ results in excess oxygen anions O2‑ inserted at the interlayer sites for charge compensation, which further causes large atomic displacements along the c-axis. Due to the robust but flexible Fe-O-Fe framework, the samples are well crystallized within the ab-plane, but are significantly poorer crystallized along the c-axis. Defect structures including local lattice distortions and edge dislocations responsible for the lowered crystallinity are observed by high resolution transmission electron microscopy. Both the magnetic measurements and electron spin resonance spectra provide the evidence of a parasitic ferromagnetism (FM). The week FM interaction originated from the imperfect antiferromagnetic (AFM) ordering could be ascribed to the introduction of uncompensated magnetic moments due to substitution of Mo6+ (S = 0) for Fe2+ (S = 2) and the canted/frustrated spins resulted from defect structures.

Promotion of cooperation in evolutionary game dynamics with local information.

PubMed

Liu, Xuesong; Pan, Qiuhui; He, Mingfeng

2018-01-21

In this paper, we propose a strategy-updating rule driven by local information, which is called Local process. Unlike the standard Moran process, the Local process does not require global information about the strategic environment. By analyzing the dynamical behavior of the system, we explore how the local information influences the fixation of cooperation in two-player evolutionary games. Under weak selection, the decreasing local information leads to an increase of the fixation probability when natural selection does not favor cooperation replacing defection. In the limit of sufficiently large selection, the analytical results indicate that the fixation probability increases with the decrease of the local information, irrespective of the evolutionary games. Furthermore, for the dominance of defection games under weak selection and for coexistence games, the decreasing of local information will lead to a speedup of a single cooperator taking over the population. Overall, to some extent, the local information is conducive to promoting the cooperation. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

Radzihovsky, Leo

Motivated by a realization of imbalanced Feshbach-resonant atomic Fermi gases, we formulate a low-energy theory of the Fulde-Ferrell and the Larkin-Ovchinnikov (LO) states and use it to analyze fluctuations, stability, and phase transitions in these enigmatic finite momentum-paired superfluids. Focusing on the unidirectional LO pair-density-wave state, which spontaneously breaks the continuous rotational and translational symmetries, we show that it is characterized by two Goldstone modes, corresponding to a superfluid phase and a smectic phonon. Because of the liquid-crystalline ''softness'' of the latter, at finite temperature the three-dimensional state is characterized by a vanishing LO order parameter, quasi-Bragg peaks in themore » structure and momentum distribution functions, and a ''charge''-4, paired-Cooper-pairs, off-diagonal long-range order, with a superfluid-stiffness anisotropy that diverges near a transition into a nonsuperfluid state. In addition to conventional integer vortices and dislocations, the LO superfluid smectic exhibits composite half-integer vortex-dislocation defects. A proliferation of defects leads to a rich variety of descendant states, such as the charge-4 superfluid and Fermi-liquid nematics and topologically ordered nonsuperfluid states, that generically intervene between the LO state and the conventional superfluid and the polarized Fermi liquid at low and high imbalance, respectively. The fermionic sector of the LO gapless superconductor is also quite unique, exhibiting a Fermi surface of Bogoliubov quasiparticles associated with the Andreev band of states, localized on the array of the LO domain walls.« less

High-speed mapping of grown-in defects and their influence in large-area silicon photovoltaic devices

NASA Astrophysics Data System (ADS)

Sopori, Bhushan; Wei, Chen; Yi, Zhang; Madjdpour, Jamal

2000-03-01

A scanning system for mapping defects, and for measuring their influence on the photovoltaic of Si solar cells, is described. The system uses optical scattering patterns to identify the nature of defects. The local density of the defects is statistically determined from the integrated scattered light. The optical system can also measure the reflectance and the light-induced current which is then used to yield maps of the internal photoresponse of the device.

Tunable hybrid optical modes in a bounded cholesteric liquid crystal with a twist defect

NASA Astrophysics Data System (ADS)

Pyatnov, Maxim V.; Vetrov, Stepan Ya.; Timofeev, Ivan V.

2018-03-01

Coupling between the defect mode of a cholesteric liquid crystal and the localized mode of a cholesteric liquid crystal-phase plate-metal structure is theoretically demonstrated. It is shown that the transmittance spectrum can be tuned by changing the twist-defect angle and helix pitch, which are governed by external factors. The spectra for different circular polarizations of the incident light are different; specifically, at the nondiffracting polarization, there is no defect-mode transmittance peak.

Skull defect reconstruction based on a new hybrid level set.

PubMed

Zhang, Ziqun; Zhang, Ran; Song, Zhijian

2014-01-01

Skull defect reconstruction is an important aspect of surgical repair. Historically, a skull defect prosthesis was created by the mirroring technique, surface fitting, or formed templates. These methods are not based on the anatomy of the individual patient's skull, and therefore, the prosthesis cannot precisely correct the defect. This study presented a new hybrid level set model, taking into account both the global optimization region information and the local accuracy edge information, while avoiding re-initialization during the evolution of the level set function. Based on the new method, a skull defect was reconstructed, and the skull prosthesis was produced by rapid prototyping technology. This resulted in a skull defect prosthesis that well matched the skull defect with excellent individual adaptation.

Characterization of emission microscopy and liquid crystal thermography in IC fault localization

NASA Astrophysics Data System (ADS)

Lau, C. K.; Sim, K. S.

2013-05-01

This paper characterizes two fault localization techniques - Emission Microscopy (EMMI) and Liquid Crystal Thermography (LCT) by using integrated circuit (IC) leakage failures. The majority of today's semiconductor failures do not reveal a clear visual defect on the die surface and therefore require fault localization tools to identify the fault location. Among the various fault localization tools, liquid crystal thermography and frontside emission microscopy are commonly used in most semiconductor failure analysis laboratories. Many people misunderstand that both techniques are the same and both are detecting hot spot in chip failing with short or leakage. As a result, analysts tend to use only LCT since this technique involves very simple test setup compared to EMMI. The omission of EMMI as the alternative technique in fault localization always leads to incomplete analysis when LCT fails to localize any hot spot on a failing chip. Therefore, this research was established to characterize and compare both the techniques in terms of their sensitivity in detecting the fault location in common semiconductor failures. A new method was also proposed as an alternative technique i.e. the backside LCT technique. The research observed that both techniques have successfully detected the defect locations resulted from the leakage failures. LCT wass observed more sensitive than EMMI in the frontside analysis approach. On the other hand, EMMI performed better in the backside analysis approach. LCT was more sensitive in localizing ESD defect location and EMMI was more sensitive in detecting non ESD defect location. Backside LCT was proven to work as effectively as the frontside LCT and was ready to serve as an alternative technique to the backside EMMI. The research confirmed that LCT detects heat generation and EMMI detects photon emission (recombination radiation). The analysis results also suggested that both techniques complementing each other in the IC fault localization. It is necessary for a failure analyst to use both techniques when one of the techniques produces no result.

Novel rattling of K atoms in aluminium-doped defect pyrochlore tungstate

NASA Astrophysics Data System (ADS)

Shoko, Elvis; Kearley, Gordon J.; Peterson, Vanessa K.; Mutka, Hannu; Koza, Michael M.; Yamaura, Jun-ichi; Hiroi, Zenji; Thorogood, Gordon J.

2014-07-01

Rattling dynamics have been identified as fundamental to superconductivity in defect pyrochlore osmates and aluminium vanadium intermetallics, as well as low thermal conductivity in clathrates and filled skutterudites. Combining inelastic neutron scattering (INS) measurements and ab initio molecular dynamics (MD) simulations, we use a new approach to investigate rattling in the Al-doped defect pyrochlore tungstates: AAl0.33W1.67O6 (A = K, Rb, Cs). We find that although all the alkali metals rattle, the rattling of the K atoms is unique, not only among the tungstates but also among the analogous defect osmates, KOs2O6 and RbOs2O6. Detailed analysis of the MD trajectories reveals that two unique features set the K dynamics apart from the rest, namely, (1) quasi one-dimensional local diffusion within a cage, and (2) vibration at a range of frequencies. The local diffusion is driven by strongly anharmonic local potentials around the K atoms exhibiting a double-well structure in the direction of maximum displacement, which is also the direction of local diffusion. On the other hand, vibration at a range of frequencies is a consequence of the strong anisotropy in the local potentials around the K atoms as revealed by directional magnitude spectra. We present evidence to show that it is the smaller size rather than the smaller mass of the K rattler which leads to the unusual dynamics. Finally, we suggest that the occurrence of local diffusion and vibration at a range of frequencies in the dynamics of a single rattler, as found here for the K atoms, may open new possibilities for phonon engineering in thermoelectric materials.

Modified Oxygen Defect Chemistry at Transition Metal Oxide Heterostructures Probed by Hard X-ray Photoelectron Spectroscopy and X-ray Diffraction

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

Chen, Yan; Fong, Dillon D.; Herbert, F. William

Transition metal oxide hetero-structures are interesting due to the distinctly different properties that can arise from their interfaces, such as superconductivity, high catalytic activity and magnetism. Oxygen point defects can play an important role at these interfaces in inducing potentially novel properties. The design of oxide hetero-structures in which the oxygen defects are manipulated to attain specific functionalities requires the ability to resolve the state and concentration of local oxygen defects across buried interfaces. In this work, we utilized a novel combination of hard x-ray photoelectron spectroscopy (HAXPES) and high resolution xray diffraction (HRXRD) to probe the local oxygen defectmore » distribution across the buried interfaces of oxide heterolayers. This approach provides a non-destructive way to qualitatively probe locally the oxygen defects in transition metal oxide hetero-structures. We studied two trilayer structures as model systems - the La 0.8Sr 0.2CoO 3-δ/(La 0.5Sr 0.5) 2CoO 4/La 0.8Sr 0.2CoO 3-δ (LSC 113/LSC 214) and the La 0.8Sr 0.2CoO 3-δ/La 2NiO 4+δ/La 0.8Sr 0.2CoO 3-δ (LSC 113/LNO 214) on SrTiO 3(001) single crystal substrates. We found that the oxygen defect chemistry of these transition metal oxides was strongly impacted by the presence of interfaces and the properties of the adjacent phases. Under reducing conditions, the LSC 113 in the LSC 113/LNO 214 tri-layer had less oxygen vacancies than the LSC 113 in the LSC 113/LSC 214 tri-layer and the LSC 113 single phase film. On the other hand, LSC 214 and LNO 214 were more reduced in the two tri-layer structures when in contact with the LSC 113 layer compared to their single phase counterparts. Furthermore, the results point out a potential way to modify the local oxygen defect states at oxide hetero-interfaces.« less

Modified Oxygen Defect Chemistry at Transition Metal Oxide Heterostructures Probed by Hard X-ray Photoelectron Spectroscopy and X-ray Diffraction

DOE PAGES

Chen, Yan; Fong, Dillon D.; Herbert, F. William; ...

2018-04-17

Transition metal oxide hetero-structures are interesting due to the distinctly different properties that can arise from their interfaces, such as superconductivity, high catalytic activity and magnetism. Oxygen point defects can play an important role at these interfaces in inducing potentially novel properties. The design of oxide hetero-structures in which the oxygen defects are manipulated to attain specific functionalities requires the ability to resolve the state and concentration of local oxygen defects across buried interfaces. In this work, we utilized a novel combination of hard x-ray photoelectron spectroscopy (HAXPES) and high resolution xray diffraction (HRXRD) to probe the local oxygen defectmore » distribution across the buried interfaces of oxide heterolayers. This approach provides a non-destructive way to qualitatively probe locally the oxygen defects in transition metal oxide hetero-structures. We studied two trilayer structures as model systems - the La 0.8Sr 0.2CoO 3-δ/(La 0.5Sr 0.5) 2CoO 4/La 0.8Sr 0.2CoO 3-δ (LSC 113/LSC 214) and the La 0.8Sr 0.2CoO 3-δ/La 2NiO 4+δ/La 0.8Sr 0.2CoO 3-δ (LSC 113/LNO 214) on SrTiO 3(001) single crystal substrates. We found that the oxygen defect chemistry of these transition metal oxides was strongly impacted by the presence of interfaces and the properties of the adjacent phases. Under reducing conditions, the LSC 113 in the LSC 113/LNO 214 tri-layer had less oxygen vacancies than the LSC 113 in the LSC 113/LSC 214 tri-layer and the LSC 113 single phase film. On the other hand, LSC 214 and LNO 214 were more reduced in the two tri-layer structures when in contact with the LSC 113 layer compared to their single phase counterparts. Furthermore, the results point out a potential way to modify the local oxygen defect states at oxide hetero-interfaces.« less

Thickness-dependence of block copolymer coarsening kinetics

DOE PAGES

Black, Charles T.; Forrey, Christopher; Yager, Kevin G.

2017-03-31

In spite of active research, many fundamental aspects of block copolymer ordering remain unresolved. We studied the thickness-dependence of block copolymer grain coarsening kinetics, and find that thinner films order more rapidly than thicker films. Bilayer films, or monolayers with partial layers of islands, order more slowly than monolayers because of the greater amount of material that must rearrange in a coordinated fashion. Sub-monolayer films order much more rapidly than monolayers, exhibiting considerably smaller activation energies, as well as larger exponents for the time-growth power-law. Furthermore, by using molecular dynamics simulations, we directly study the motion of defects in thesemore » film regimes. Here, we attribute the enhanced grain growth in sub-monolayers to the film boundaries, where defects can be spontaneously eliminated. The boundaries thus act as efficient sinks for morphological defects, pointing towards methods for engineering rapid ordering of self-assembling thin films.« less

Thickness-dependence of block copolymer coarsening kinetics

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

Black, Charles T.; Forrey, Christopher; Yager, Kevin G.

In spite of active research, many fundamental aspects of block copolymer ordering remain unresolved. We studied the thickness-dependence of block copolymer grain coarsening kinetics, and find that thinner films order more rapidly than thicker films. Bilayer films, or monolayers with partial layers of islands, order more slowly than monolayers because of the greater amount of material that must rearrange in a coordinated fashion. Sub-monolayer films order much more rapidly than monolayers, exhibiting considerably smaller activation energies, as well as larger exponents for the time-growth power-law. Furthermore, by using molecular dynamics simulations, we directly study the motion of defects in thesemore » film regimes. Here, we attribute the enhanced grain growth in sub-monolayers to the film boundaries, where defects can be spontaneously eliminated. The boundaries thus act as efficient sinks for morphological defects, pointing towards methods for engineering rapid ordering of self-assembling thin films.« less

Anisotropic polaron localization and spontaneous symmetry breaking: Comparison of cation-site acceptors in GaN and ZnO

NASA Astrophysics Data System (ADS)

Sun, Y. Y.; Abtew, Tesfaye A.; Zhang, Peihong; Zhang, S. B.

2014-10-01

The behavior of cation substitutional hole doping in GaN and ZnO is investigated using hybrid density functional calculations. Our results reveal that Mg substitution for Ga (MgGa) in GaN can assume three different configurations. Two of the configurations are characterized by the formation of defect-bound small polaron (i.e., a large structural distortion accompanied by hole localization on one of the neighboring N atoms). The third one has a relatively small but significant distortion that is characterized by highly anisotropic polaron localization. In this third configuration, MgGa exhibits both effective-mass-like and noneffective-mass-like characters. In contrast, a similar defect in ZnO, LiZn, cannot sustain the anisotropic polaron in the hybrid functional calculation, but undergoes spontaneous breaking of a mirror symmetry through a mechanism driven by the hole localization. Finally, using NaZn in ZnO as an example, we show that the deep acceptor levels of the small-polaron defects could be made shallower by applying compressive strain to the material.

119Sn Mössbauer spectroscopy for assessing the local stress and defect state towards the tuning of Ni-Mn-Sn alloys

NASA Astrophysics Data System (ADS)

Unzueta, I.; López-García, J.; Sánchez-Alarcos, V.; Recarte, V.; Pérez-Landazábal, J. I.; Rodríguez-Velamazán, J. A.; Garitaonandia, J. S.; García, J. A.; Plazaola, F.

2017-05-01

The influence of defects and local stresses on the magnetic properties and martensitic transformation in Ni50Mn35Sn15 is studied at macroscopic and atomic scale levels. We show that both the structural and magnetic properties of the alloy are very sensitive to slight microstructural distortions. Even though no atomic disorder is induced by milling, the antiphase boundaries linked to dislocations promote the antiferromagnetic coupling of Mn, resulting in a significant decrease in the saturation magnetization. On the other hand, the temperature range of the transformation is considerably affected by the mechanically induced local stresses, which in turn does not affect the equilibrium temperature between the austenitic and martensitic phases. Finally, we demonstrate that the recovery of the martensitic transformation is directly related to the intensity of the non-magnetic component revealed by 119Sn Mössbauer spectroscopy. This result opens the possibility of quantifying the whole contribution of defects and the local stresses on the martensitic transformation in Ni-Mn-Sn alloys.

Functional Characterization of G12, a Gene Required for Mitotic Progression during Gastrulation in Zebrafish

NASA Technical Reports Server (NTRS)

Reinsch, Sigrid; Conway, Gregory; Dalton, Bonnie P. (Technical Monitor)

2002-01-01

In a differential RNA display screen we have isolated a zebrafish gene, G12, for which homologs can only be found in DNA databases for vertebrates, but not invertebrates. This suggests that this is a gene required specifically in vertebrates. G12 expression is upregulated at mid-blastula transition (MBT). Morpholino inactivation of this gene by injection into 1-cell embryos results in mitotic defects and apoptosis shortly after MBT. Nuclei in morpholino treated embryos also display segregation defects. We have characterized the localization of this gene as a GFP fusion in live and fixed embryos. Overexpression of G12-GFP is non-toxic. Animals retain GFP expression for at least 7 days with no developmental defects, Interestingly in these animals G12-GFP is never detectable in blood cells though blood is present. In the deep cells of early embryos, G 12GFP is localized to nuclei and cytoskeletal elements in interphase and to the centrosome and spindle apparatus during mitosis. In the EVL, G12-GFP shows additional localization to the cell periphery, especially in mitosis. In the yolk syncytium, G12-GFP again localizes to nuclei and strongly to cytoplasmic microtubules of migrating nuclei at the YSL margin. Morpholinc, injection specifically into the YSL after cellularization blocks epiboly and nuclei of the YSL show mitotic defects while deep cells show no mitotic defects and continue to divide. Rescue experiments in which morpholino and G12-GFP RNA are co-injected indicate partial rescue by the G12-GFP. The rescue is cell autonomous; that is, regions of the embryo with higher G12-GFP expression show fewer mitotic defects. Spot 14, the human bomolog of G12, has been shown to be amplified in aggressive breast tumors. This finding, along with our functional and morphological data suggest that G12 and spot 14 are vertebrate-specific and may function either as mitotic checkpoints or as structural components of the spindle apparatus.

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

NASA Astrophysics Data System (ADS)

Giombi, Simone; Komatsu, Shota

2018-05-01

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

Galilean-invariant preconditioned central-moment lattice Boltzmann method without cubic velocity errors for efficient steady flow simulations

NASA Astrophysics Data System (ADS)

Hajabdollahi, Farzaneh; Premnath, Kannan N.

2018-05-01

Lattice Boltzmann (LB) models used for the computation of fluid flows represented by the Navier-Stokes (NS) equations on standard lattices can lead to non-Galilean-invariant (GI) viscous stress involving cubic velocity errors. This arises from the dependence of their third-order diagonal moments on the first-order moments for standard lattices, and strategies have recently been introduced to restore Galilean invariance without such errors using a modified collision operator involving corrections to either the relaxation times or the moment equilibria. Convergence acceleration in the simulation of steady flows can be achieved by solving the preconditioned NS equations, which contain a preconditioning parameter that can be used to tune the effective sound speed, and thereby alleviating the numerical stiffness. In the present paper, we present a GI formulation of the preconditioned cascaded central-moment LB method used to solve the preconditioned NS equations, which is free of cubic velocity errors on a standard lattice, for steady flows. A Chapman-Enskog analysis reveals the structure of the spurious non-GI defect terms and it is demonstrated that the anisotropy of the resulting viscous stress is dependent on the preconditioning parameter, in addition to the fluid velocity. It is shown that partial correction to eliminate the cubic velocity defects is achieved by scaling the cubic velocity terms in the off-diagonal third-order moment equilibria with the square of the preconditioning parameter. Furthermore, we develop additional corrections based on the extended moment equilibria involving gradient terms with coefficients dependent locally on the fluid velocity and the preconditioning parameter. Such parameter dependent corrections eliminate the remaining truncation errors arising from the degeneracy of the diagonal third-order moments and fully restore Galilean invariance without cubic defects for the preconditioned LB scheme on a standard lattice. Several conclusions are drawn from the analysis of the structure of the non-GI errors and the associated corrections, with particular emphasis on their dependence on the preconditioning parameter. The GI preconditioned central-moment LB method is validated for a number of complex flow benchmark problems and its effectiveness to achieve convergence acceleration and improvement in accuracy is demonstrated.

Long palatal connective tissue rolled pedicle graft with demineralized freeze-dried bone allograft plus platelet-rich fibrin combination: A novel technique for ridge augmentation - Three case reports

PubMed Central

Reddy, Pathakota Krishnajaneya; Bolla, Vijayalakshmi; Koppolu, Pradeep; Srujan, Peruka

2015-01-01

Replacement of missing maxillary anterior tooth with localized residual alveolar ridge defect is challenging, considering the high esthetic demand. Various soft and hard tissue procedures were proposed to correct alveolar ridge deformities. Novel techniques have evolved in treating these ridge defects to improve function and esthetics. In the present case reports, a novel technique using long palatal connective tissue rolled pedicle graft with demineralized freeze-dried bone allografts (DFDBAs) plus Platelet-rich fibrin (PRF) combination was proposed to correct the Class III localized anterior maxillary anterior alveolar ridge defect. The present technique resulted in predictable ridge augmentation, which can be attributed to the soft and hard tissue augmentation with a connective tissue pedicle and DFDBA plus PRF combination. This technique suggests a variation in roll technique with DFDBA plus PRF and appears to promise in gaining predictable volume in the residual ridge defect and can be considered for the treatment of moderate to severe maxillary anterior ridge defects. PMID:26015679

Island composite nasal flap for nasal dorsum skin defects.

PubMed

Skitarelić, Neven; Mladina, Ranko; Mraovic, Boris; Simurina, Tatjana; Skitarelić, Nataa; Vuković, Katarina

2009-08-01

Skin defects on the nasal dorsum remain a challenge for the plastic surgeon. There are few local nasal flap options for the repair of proximally positioned nasal skin defects. During a 3-year period, 22 patients were treated after excision of skin cancer in the proximal two-thirds of the nose. Nine patients (41%) were female and 13 (59%) were male, with an average age of 69 years. All patients were operated on under local anesthesia. The average follow-up was 25 months. In all patients, after tumor ablation, the skin defect was closed with an island composite nasal skin flap. Pathohistologic analysis confirmed that the margins of the removed tumor were free of malignant cells. Six patients (27.3%) had squamous cell and 16 (72.7%) had basal cell carcinoma. There was no total or partial flap loss. None of the patients has suffered from recurrence of the tumor. The island composite nasal flap is a reliable technique for the closure of proximal nasal skin defects. Complications in the elevation of the island composite flap were rare, and the final result was acceptable.

Localization of congenital tegmen tympani defects.

PubMed

Tóth, Miklós; Helling, Kai; Baksa, Gábor; Mann, Wolf

2007-12-01

This study sets out to demonstrate the normal developmental steps of the tegmen tympani and thus explains the typical localization of congenital tegmental defects. For this study, 79 macerated and formalin-fixed human temporal bones from 14th fetal week to adults were observed and prepared. Macroscopic and microscopic examination of the prenatal and postnatal changes of the tegmen tympani during its development. Temporal bones from 14th fetal week to adults underwent descriptive anatomic studies to understand the normal development of the tegmen tympani and to find a possible cause of its congenital defects. The medial part of the tegmen tympani develops from the otic capsule during chondral ossification, thus forming the tegmental process of the petrous part. The lateral part shows membranous ossification. The tegmental process cases a temporary bony dehiscence lateral to the geniculate ganglion between the 23rd and 25th fetal week. Congenital defects develop near the geniculate ganglion and seem to be due to an incomplete development of tegmental process of otic capsule. Because of that, congenital lesion of the tegmen tympani can be defined as an inner ear defect.

Su-Schrieffer-Heeger chain with one pair of [Formula: see text]-symmetric defects.

PubMed

Jin, L; Wang, P; Song, Z

2017-07-19

The topologically nontrivial edge states induce [Formula: see text] transition in Su-Schrieffer-Heeger (SSH) chain with one pair of gain and loss at boundaries. In this study, we investigated a pair of [Formula: see text]-symmetric defects located inside the SSH chain, in particular, the defects locations are at the chain centre. The [Formula: see text] symmetry breaking of the bound states leads to the [Formula: see text] transition, the [Formula: see text]-symmetric phases and the localized states were studied. In the broken [Formula: see text]-symmetric phase, all energy levels break simultaneously in topologically trivial phase; however, two edge states in topologically nontrivial phase are free from the influence of the [Formula: see text]-symmetric defects. We discovered [Formula: see text]-symmetric bound states induced by the [Formula: see text]-symmetric local defects at the SSH chain centre. The [Formula: see text]-symmetric bound states significantly increase the [Formula: see text] transition threshold and coalesce to the topologically protected zero mode with vanishing probabilities on every other site of the left-half chain and the right-half chain, respectively.

Total Scattering Analysis of Disordered Nanosheet Materials

NASA Astrophysics Data System (ADS)

Metz, Peter C.

Two dimensional materials are of increasing interest as building blocks for functional coatings, catalysts, and electrochemical devices. While increasingly sophisticated processing routes have been designed to obtain high-quality exfoliated nanosheets and controlled, self-assembled mesostructures, structural characterization of these materials remains challenging. This work presents a novel method of analyzing pair distribution function (PDF) data for disordered nanosheet ensembles, where supercell stacking models are used to infer atom correlations over as much as 50 A. Hierarchical models are used to reduce the parameter space of the refined model and help eliminate strongly correlated parameters. Three data sets for restacked nanosheet assemblies with stacking disorder are analyzed using these methods: simulated data for graphene-like layers, experimental data for 1 nm thick perovskite layers, and experimental data for highly defective delta-MnO2 layers. In each case, the sensitivity of the PDF to the real-space distribution of layer positions is demonstrated by exploring the fit residual as a function of stacking vectors. The refined models demonstrate that nanosheets tend towards local interlayer ordering, which is hypothesized to be driven by the electrostatic potential of the layer surfaces. Correctly accounting for interlayer atom correlations permits more accurate refinement of local structural details including local structure perturbations and defect site occupancies. In the delta-MnO2 nanosheet material, the new modeling approach identified 14% Mn vacancies while application of 3D periodic crystalline models to the < 7 A PDF region suggests a 25% vacancy concentration. In contrast, the perovskite nanosheet material is demonstrated to exhibit almost negligible structural relaxation in contrast with the bulk crystalline material from which it is derived.

Optical, electrical and elastic properties of ferroelectric domain walls in lithium niobate and lithium titanate

NASA Astrophysics Data System (ADS)

Kim, Sungwon

Ferroelectric LiNbO3 and LiTaO3 crystals have developed, over the last 50 years as key materials for integrated and nonlinear optics due to their large electro-optic and nonlinear optical coefficients and a broad transparency range from 0.4 mum-4.5 mum wavelengths. Applications include high speed optical modulation and switching in 40GHz range, second harmonic generation, optical parametric amplification, pulse compression and so on. Ferroelectric domain microengineering has led to electro-optic scanners, dynamic focusing lenses, total internal reflection switches, and quasi-phase matched (QPM) frequency doublers. Most of these applications have so far been on non-stoichiometric compositions of these crystals. Recent breakthroughs in crystal growth have however opened up an entirely new window of opportunity from both scientific and technological viewpoint. The growth of stoichiometric composition crystals has led to the discovery of many fascinating effects arising from the presence or absence of atomic defects, such as an order of magnitude changes in coercive fields, internal fields, domain backswitching and stabilization phenomenon. On the nanoscale, unexpected features such as the presence of wide regions of optical contrast and strain have been discovered at 180° domain walls. Such strong influence of small amounts of nonstoichiometric defects on material properties has led to new device applications, particularly those involving domain patterning and shaping such as QPM devices in thick bulk crystals and improved photorefractive damage compositions. The central focus of this dissertation is to explore the role of nonstoichiometry and its precise influence on macroscale and nanoscale properties in lithium niobate and tantalate. Macroscale properties are studied using a combination of in-situ and high-speed electro-optic imaging microscopy and electrical switching experiments. Local static and dynamic strain properties at individual domain walls is studied using X-ray synchrotron imaging with and without in-situ electric fields. Nanoscale optical properties are studied using Near Field Scanning Optical Microscopy(NSOM). Finite Difference Time Domain(FDTD) codes, Beam Propagation Method(BPM) codes and X-ray tracing codes have been developed to successfully simulate NSOM images and X-ray topography images to extract the local optical and strain properties, respectively. A 3-D ferroelectric domain simulation code based on Time Dependent Ginzburg Landau(TDGL) theory and group theory has been developed to understand the nature of these local wall strains and the preferred wall orientations. By combining these experimental and numerical tools, We have also proposed a defect-dipole model and a mechanism by which the defect interacts with the domain walls. This thesis has thus built a more comprehensive picture of the influence of defects on domain walls on nanoscale and macroscale, and raises new scientific questions about the exact nature of domain walls-defect interactions. Besides the specific problem of ferroelectrics, the experimental and simulation tools, developed in this thesis will have wider application in the area of materials science.

Signal quality enhancement using higher order wavelets for ultrasonic TOFD signals from austenitic stainless steel welds.

PubMed

Praveen, Angam; Vijayarekha, K; Abraham, Saju T; Venkatraman, B

2013-09-01

Time of flight diffraction (TOFD) technique is a well-developed ultrasonic non-destructive testing (NDT) method and has been applied successfully for accurate sizing of defects in metallic materials. This technique was developed in early 1970s as a means for accurate sizing and positioning of cracks in nuclear components became very popular in the late 1990s and is today being widely used in various industries for weld inspection. One of the main advantages of TOFD is that, apart from fast technique, it provides higher probability of detection for linear defects. Since TOFD is based on diffraction of sound waves from the extremities of the defect compared to reflection from planar faces as in pulse echo and phased array, the resultant signal would be quite weak and signal to noise ratio (SNR) low. In many cases the defect signal is submerged in this noise making it difficult for detection, positioning and sizing. Several signal processing methods such as digital filtering, Split Spectrum Processing (SSP), Hilbert Transform and Correlation techniques have been developed in order to suppress unwanted noise and enhance the quality of the defect signal which can thus be used for characterization of defects and the material. Wavelet Transform based thresholding techniques have been applied largely for de-noising of ultrasonic signals. However in this paper, higher order wavelets are used for analyzing the de-noising performance for TOFD signals obtained from Austenitic Stainless Steel welds. It is observed that higher order wavelets give greater SNR improvement compared to the lower order wavelets. Copyright © 2013 Elsevier B.V. All rights reserved.

Radiographic morphology of intrabony defects in the first molars of patients with localized aggressive periodontitis: Comparison with health and chronic periodontitis.

PubMed

Nibali, L; Tomlins, P; Akcalı, A

2018-04-16

The aim of this study was to describe the radiographic features of the first molars of patients with localized aggressive periodontitis (LAgP) and of their associated intrabony defects and to compare them with a control sample of chronic periodontitis cases and healthy subjects. Data from a total of 93 patients were included in this analysis. First, dental panoramic tomograms of 34 patients with LAgP (131 first molars) and 30 periodontally healthy patients (110 first molars) were compared. Then, periapical radiographs of the first molars of the same patients with LAgP and of 29 patients with chronic periodontitis affected by intrabony defects were analysed. Shorter root trunks were associated with the presence of intrabony defects in patients with LAgP (P = .002 at multilevel logistic regression), also when LAgP molars were compared with healthy subjects (P = .036). Although no difference in defect depth and angle was noted between LAgP and chronic periodontitis intrabony defects, LAgP intrabony defects appeared to be more frequently symmetrical and arch-shaped than in chronic periodontitis (P = .008), with positive predictive value and negative predictive value of for 'wide arch' defect of 87.3% (95% CI = 77.2%-93.3%) and 32.3% (95% CI = 27.7%-37.2%) respectively. First molars of patients with LAgP affected by intrabony defects may have some distinct radiographic anatomical characteristics to those of healthy subjects. The shape of intrabony defects seems to differ between LAgP and chronic periodontitis cases. Further studies need to confirm these features and investigate if they are related to the initiation and progression of periodontitis. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Platelet-Derived Growth Factor Promotes Periodontal Regeneration in Localized Osseous Defects: 36-Month Extension Results From a Randomized, Controlled, Double-Masked Clinical Trial

PubMed Central

Nevins, Myron; Kao, Richard T.; McGuire, Michael K.; McClain, Pamela K.; Hinrichs, James E.; McAllister, Bradley S.; Reddy, Michael S.; Nevins, Marc L.; Genco, Robert J.; Lynch, Samuel E.; Giannobile, William V.

2017-01-01

Background Recombinant human platelet-derived growth factor (rhPDGF) is safe and effective for the treatment of periodontal defects in short-term studies up to 6 months in duration. We now provide results from a 36-month extension study of a multicenter, randomized, controlled clinical trial evaluating the effect and long-term stability of PDGF-BB treatment in patients with localized severe periodontal osseous defects. Methods A total of 135 participants were enrolled fromsix clinical centers for an extension trial. Eighty-three individuals completed the study at 36 months and were included in the analysis. The study investigated the local application of β-tricalcium phosphate scaffold matrix with or without two different dose levels of PDGF (0.3 or 1.0 mg/mL PDGF-BB) in patients possessing one localized periodontal osseous defect. Composite analysis for clinical and radiographic evidence of treatment success was defined as percentage of cases with clinical attachment level (CAL) ≥2.7mmand linear bone growth (LBG) ≥1.1 mm. Results The participants exceeding this composite outcome benchmark in the 0.3 mg/mL rhPDGF-BB group went from 62.2% at 12 months, 75.9% at 24 months, to 87.0% at 36 months compared with 39.5%, 48.3%, and 53.8%, respectively, in the scaffold control group at these same time points (P <0.05). Although there were no significant increases in CAL and LBG at 36 months among all groups, there were continued increases in CAL gain, LBG, and percentage bone fill over time, suggesting overall stability of the regenerative response. Conclusion PDGF-BB in a synthetic scaffold matrix promotes long-term stable clinical and radiographic improvements as measured by composite outcomes for CAL gain and LBG for patients possessing localized periodontal defects (ClinicalTrials.gov no. CT01530126). PMID:22612364

A study of process-related electrical defects in SOI lateral bipolar transistors fabricated by ion implantation

NASA Astrophysics Data System (ADS)

Yau, J.-B.; Cai, J.; Hashemi, P.; Balakrishnan, K.; D'Emic, C.; Ning, T. H.

2018-04-01

We report a systematic study of process-related electrical defects in symmetric lateral NPN transistors on silicon-on-insulator (SOI) fabricated using ion implantation for all the doped regions. A primary objective of this study is to see if pipe defects (emitter-collector shorts caused by locally enhanced dopant diffusion) are a show stopper for such bipolar technology. Measurements of IC-VCE and Gummel currents in parallel-connected transistor chains as a function of post-fabrication rapid thermal anneal cycles allow several process-related electrical defects to be identified. They include defective emitter-base and collector-base diodes, pipe defects, and defects associated with a dopant-deficient region in an extrinsic base adjacent its intrinsic base. There is no evidence of pipe defects being a major concern in SOI lateral bipolar transistors.

Analysis and comparison of magnetic sheet insulation tests

NASA Astrophysics Data System (ADS)

Marion-Péra, M. C.; Kedous-Lebouc, A.; Cornut, B.; Brissonneau, P.

1994-05-01

Magnetic circuits of electrical machines are divided into coated sheets in order to limit eddy currents. The surface insulation resistance of magnetic sheets is difficult to evaluate because it depends on parameters like pressure and covers a wide range of values. Two methods of measuring insulation resistance are analyzed: the standardized 'Franklin device' and a tester developed by British Steel Electrical. Their main drawback is poor local repeatability. The Franklin method allows better quality control of industrial process because it measures only one insulating layer at a time. It also gives more accurate images of the distribution of possible defects. Nevertheless, both methods lead to similar classifications of insulation efficiency.

Machine learning for autonomous crystal structure identification.

PubMed

Reinhart, Wesley F; Long, Andrew W; Howard, Michael P; Ferguson, Andrew L; Panagiotopoulos, Athanassios Z

2017-07-21

We present a machine learning technique to discover and distinguish relevant ordered structures from molecular simulation snapshots or particle tracking data. Unlike other popular methods for structural identification, our technique requires no a priori description of the target structures. Instead, we use nonlinear manifold learning to infer structural relationships between particles according to the topology of their local environment. This graph-based approach yields unbiased structural information which allows us to quantify the crystalline character of particles near defects, grain boundaries, and interfaces. We demonstrate the method by classifying particles in a simulation of colloidal crystallization, and show that our method identifies structural features that are missed by standard techniques.

Simulation Study of the Localization of a Near-Surface Crack Using an Air-Coupled Ultrasonic Sensor Array

PubMed Central

Delrue, Steven; Aleshin, Vladislav; Sørensen, Mikael; De Lathauwer, Lieven

2017-01-01

The importance of Non-Destructive Testing (NDT) to check the integrity of materials in different fields of industry has increased significantly in recent years. Actually, industry demands NDT methods that allow fast (preferably non-contact) detection and localization of early-stage defects with easy-to-interpret results, so that even a non-expert field worker can carry out the testing. The main challenge is to combine as many of these requirements into one single technique. The concept of acoustic cameras, developed for low frequency NDT, meets most of the above-mentioned requirements. These cameras make use of an array of microphones to visualize noise sources by estimating the Direction Of Arrival (DOA) of the impinging sound waves. Until now, however, because of limitations in the frequency range and the lack of integrated nonlinear post-processing, acoustic camera systems have never been used for the localization of incipient damage. The goal of the current paper is to numerically investigate the capabilities of locating incipient damage by measuring the nonlinear airborne emission of the defect using a non-contact ultrasonic sensor array. We will consider a simple case of a sample with a single near-surface crack and prove that after efficient excitation of the defect sample, the nonlinear defect responses can be detected by a uniform linear sensor array. These responses are then used to determine the location of the defect by means of three different DOA algorithms. The results obtained in this study can be considered as a first step towards the development of a nonlinear ultrasonic camera system, comprising the ultrasonic sensor array as the hardware and nonlinear post-processing and source localization software. PMID:28441738

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.

Rotational flaps in oncologic breast surgery. Anatomical and technical considerations.

PubMed

Acea Nebril, Benigno; Builes Ramírez, Sergio; García Novoa, Alejandra; Varela Lamas, Cristina

2016-01-01

Local flaps are a group of surgical procedures that can solve the thoracic closure of large defects after breast cancer surgery with low morbidity. Its use in skin necrosis complications after conservative surgery or skin sparing mastectomies facilitates the initiation of adjuvant treatments and reduces delays in this patient group. This article describes the anatomical basis for the planning of thoracic and abdominal local flaps. Also, the application of these local flaps for closing large defects in the chest and selective flaps for skin coverage by necrosis in breast conserving surgery. Copyright © 2016 AEC. Publicado por Elsevier España, S.L.U. All rights reserved.

Foam flows through a local constriction

NASA Astrophysics Data System (ADS)

Chevalier, T.; Koivisto, J.; Shmakova, N.; Alava, M. J.; Puisto, A.; Raufaste, C.; Santucci, S.

2017-11-01

We present an experimental study of the flow of a liquid foam, composed of a monolayer of millimetric bubbles, forced to invade an inhomogeneous medium at a constant flow rate. To model the simplest heterogeneous fracture medium, we use a Hele-Shaw cell consisting of two glass plates separated by a millimetric gap, with a local constriction. This single defect localized in the middle of the cell reduces locally its gap thickness, and thus its local permeability. We investigate here the influence of the geometrical property of the defect, specifically its height, on the average steady-state flow of the foam. In the frame of the flowing foam, we can observe a clear recirculation around the obstacle, characterized by a quadrupolar velocity field with a negative wake downstream the obstacle, which intensity evolves systematically with the obstacle height.

An analysis of the effect of defect structures on catalytic surfaces by the boundary element technique

NASA Astrophysics Data System (ADS)

Peirce, Anthony P.; Rabitz, Herschel

1988-08-01

The boundary element (BE) technique is used to analyze the effect of defects on one-dimensional chemically active surfaces. The standard BE algorithm for diffusion is modified to include the effects of bulk desorption by making use of an asymptotic expansion technique to evaluate influences near boundaries and defect sites. An explicit time evolution scheme is proposed to treat the non-linear equations associated with defect sites. The proposed BE algorithm is shown to provide an efficient and convergent algorithm for modelling localized non-linear behavior. Since it exploits the actual Green's function of the linear diffusion-desorption process that takes place on the surface, the BE algorithm is extremely stable. The BE algorithm is applied to a number of interesting physical problems in which non-linear reactions occur at localized defects. The Lotka-Volterra system is considered in which the source, sink and predator-prey interaction terms are distributed at different defect sites in the domain and in which the defects are coupled by diffusion. This example provides a stringent test of the stability of the numerical algorithm. Marginal stability oscillations are analyzed for the Prigogine-Lefever reaction that occurs on a lattice of defects. Dissipative effects are observed for large perturbations to the marginal stability state, and rapid spatial reorganization of uniformly distributed initial perturbations is seen to take place. In another series of examples the effect of defect locations on the balance between desorptive processes on chemically active surfaces is considered. The effect of dynamic pulsing at various time-scales is considered for a one species reactive trapping model. Similar competitive behavior between neighboring defects previously observed for static adsorption levels is shown to persist for dynamic loading of the surface. The analysis of a more complex three species reaction process also provides evidence of competitive behavior between neighboring defect sites. The proposed BE algorithm is shown to provide a useful technique for analyzing the effect of defect sites on chemically active surfaces.

The 'double headed slug flap': a simple technique to reconstruct large helical rim defects.

PubMed

Masud, D; Tzafetta, K

2012-10-01

Reconstructing partial defects of the ear can be challenging, balancing the creation of the details of the ear with scarring, morbidity and number of surgical stages. Common causes of ear defects are human bites, tumour excision and burn injuries. Reconstructing defects of the ear with tube pedicled flaps and other local flaps requires an accurate measurement of size of the defect with little room for error, particularly under estimation. We present a simple method of reconstruction for partial defects of the ear using a two-stage technique with post auricular transposition flaps. This allows for under or over estimation of size defects permitting accurate tissue usage giving good aesthetic outcomes. Copyright © 2012 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

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

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2011-06-15

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.« less

Comparison of Node-Centered and Cell-Centered Unstructured Finite-Volume Discretizations: Inviscid Fluxes

NASA Technical Reports Server (NTRS)

Diskin, Boris; Thomas, James L.

2010-01-01

Cell-centered and node-centered approaches have been compared for unstructured finite-volume discretization of inviscid fluxes. The grids range from regular grids to irregular grids, including mixed-element grids and grids with random perturbations of nodes. Accuracy, complexity, and convergence rates of defect-correction iterations are studied for eight nominally second-order accurate schemes: two node-centered schemes with weighted and unweighted least-squares (LSQ) methods for gradient reconstruction and six cell-centered schemes two node-averaging with and without clipping and four schemes that employ different stencils for LSQ gradient reconstruction. The cell-centered nearest-neighbor (CC-NN) scheme has the lowest complexity; a version of the scheme that involves smart augmentation of the LSQ stencil (CC-SA) has only marginal complexity increase. All other schemes have larger complexity; complexity of node-centered (NC) schemes are somewhat lower than complexity of cell-centered node-averaging (CC-NA) and full-augmentation (CC-FA) schemes. On highly anisotropic grids typical of those encountered in grid adaptation, discretization errors of five of the six cell-centered schemes converge with second order on all tested grids; the CC-NA scheme with clipping degrades solution accuracy to first order. The NC schemes converge with second order on regular and/or triangular grids and with first order on perturbed quadrilaterals and mixed-element grids. All schemes may produce large relative errors in gradient reconstruction on grids with perturbed nodes. Defect-correction iterations for schemes employing weighted least-square gradient reconstruction diverge on perturbed stretched grids. Overall, the CC-NN and CC-SA schemes offer the best options of the lowest complexity and secondorder discretization errors. On anisotropic grids over a curved body typical of turbulent flow simulations, the discretization errors converge with second order and are small for the CC-NN, CC-SA, and CC-FA schemes on all grids and for NC schemes on triangular grids; the discretization errors of the CC-NA scheme without clipping do not converge on irregular grids. Accurate gradient reconstruction can be achieved by introducing a local approximate mapping; without approximate mapping, only the NC scheme with weighted LSQ method provides accurate gradients. Defect correction iterations for the CC-NA scheme without clipping diverge; for the NC scheme with weighted LSQ method, the iterations either diverge or converge very slowly. The best option in curved geometries is the CC-SA scheme that offers low complexity, second-order discretization errors, and fast convergence.

Experimental study on slow flexural waves around the defect modes in a phononic crystal beam using fiber Bragg gratings

NASA Astrophysics Data System (ADS)

Chuang, Kuo-Chih; Zhang, Zhi-Qiang; Wang, Hua-Xin

2016-12-01

This work experimentally studies influences of the point defect modes on the group velocity of flexural waves in a phononic crystal Timoshenko beam. Using the transfer matrix method with a supercell technique, the band structures and the group velocities around the defect modes are theoretically obtained. Particularly, to demonstrate the existence of the localized defect modes inside the band gaps, a high-sensitivity fiber Bragg grating sensing system is set up and the displacement transmittance is measured. Slow propagation of flexural waves via defect coupling in the phononic crystal beam is then experimentally demonstrated with Hanning windowed tone burst excitations.

Deficiency of the Survival of Motor Neuron Protein Impairs mRNA Localization and Local Translation in the Growth Cone of Motor Neurons.

PubMed

Fallini, Claudia; Donlin-Asp, Paul G; Rouanet, Jeremy P; Bassell, Gary J; Rossoll, Wilfried

2016-03-30

Spinal muscular atrophy (SMA) is a neurodegenerative disease primarily affecting spinal motor neurons. It is caused by reduced levels of the survival of motor neuron (SMN) protein, which plays an essential role in the biogenesis of spliceosomal small nuclear ribonucleoproteins in all tissues. The etiology of the specific defects in the motor circuitry in SMA is still unclear, but SMN has also been implicated in mediating the axonal localization of mRNA-protein complexes, which may contribute to the axonal degeneration observed in SMA. Here, we report that SMN deficiency severely disrupts local protein synthesis within neuronal growth cones. We also identify the cytoskeleton-associated growth-associated protein 43 (GAP43) mRNA as a new target of SMN and show that motor neurons from SMA mouse models have reduced levels ofGAP43mRNA and protein in axons and growth cones. Importantly, overexpression of two mRNA-binding proteins, HuD and IMP1, restoresGAP43mRNA and protein levels in growth cones and rescues axon outgrowth defects in SMA neurons. These findings demonstrate that SMN plays an important role in the localization and local translation of mRNAs with important axonal functions and suggest that disruption of this function may contribute to the axonal defects observed in SMA. The motor neuron disease spinal muscular atrophy (SMA) is caused by reduced levels of the survival of motor neuron (SMN) protein, which plays a key role in assembling RNA/protein complexes that are essential for mRNA splicing. It remains unclear whether defects in this well characterized housekeeping function cause the specific degeneration of spinal motor neurons observed in SMA. Here, we describe an additional role of SMN in regulating the axonal localization and local translation of the mRNA encoding growth-associated protein 43 (GAP43). This study supports a model whereby SMN deficiency impedes transport and local translation of mRNAs important for neurite outgrowth and stabilization, thus contributing to axon degeneration, muscle denervation, and motor neuron cell death in SMA. Copyright © 2016 the authors 0270-6474/16/363811-10$15.00/0.

Anisotropic Magnus Force in Type-II Superconductors with Planar Defects

NASA Astrophysics Data System (ADS)

Monroy, Ricardo Vega; Gomez, Eliceo Cortés

2015-02-01

The effect of planar defects on the Magnus force in type-II superconductors is studied. It is shown that the deformation of the vortex due to the presence of a planar defect leads to a local decrease in the mean free path of electrons in the vortex. This effect reduces the effective Magnus coefficient in normal direction to the planar defect, leading to an anisotropic regime of the Hall effect. The presented developments here can qualitatively explain experimental observations of the anisotropic Hall effect in high- T c superconductors in the mixed state.

Supersymmetric Rényi entropy and defect operators

NASA Astrophysics Data System (ADS)

Nishioka, Tatsuma; Yaakov, Itamar

2017-11-01

We describe the defect operator interpretation of the supersymmetric Rényi entropies of superconformal field theories in three, four and five dimensions. The operators involved are supersymmetric codimension-two defects in an auxiliary Z_n gauge theory coupled to n copies of the SCFT. We compute the exact expectation values of such operators using localization, and compare the results to the supersymmetric Rényi entropy. The agreement between the two implies a relationship between the partition function on a squashed sphere and the one on a round sphere in the presence of defects.

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.

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

NASA Astrophysics Data System (ADS)

Igumenshchev, I. V.; Goncharov, V. N.; Shmayda, W. T.; Harding, D. R.; Sangster, T. C.; Meyerhofer, D. D.

2013-08-01

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

Site-selective local fluorination of graphene induced by focused ion beam irradiation

PubMed Central

Li, Hu; Daukiya, Lakshya; Haldar, Soumyajyoti; Lindblad, Andreas; Sanyal, Biplab; Eriksson, Olle; Aubel, Dominique; Hajjar-Garreau, Samar; Simon, Laurent; Leifer, Klaus

2016-01-01

The functionalization of graphene remains an important challenge for numerous applications expected by this fascinating material. To keep advantageous properties of graphene after modification or functionalization of its structure, local approaches are a promising road. A novel technique is reported here that allows precise site-selective fluorination of graphene. The basic idea of this approach consists in the local radicalization of graphene by focused ion beam (FIB) irradiation and simultaneous introduction of XeF2 gas. A systematic series of experiments were carried out to outline the relation between inserted defect creation and the fluorination process. Based on a subsequent X-ray photoelectron spectroscopy (XPS) analysis, a 6-fold increase of the fluorine concentration on graphene under simultaneous irradiation was observed when compared to fluorination under normal conditions. The fluorine atoms are predominately localized at the defects as indicated from scanning tunneling microscopy (STM). The experimental findings are confirmed by density functional theory which predicts a strong increase of the binding energy of fluorine atoms when bound to the defect sites. The developed technique allows for local fluorination of graphene without using resists and has potential to be a general enabler of site-selective functionalization of graphene using a wide range of gases. PMID:26822900

Safety assessment for In-service Pressure Bending Pipe Containing Incomplete Penetration Defects

NASA Astrophysics Data System (ADS)

Wang, M.; Tang, P.; Xia, J. F.; Ling, Z. W.; Cai, G. Y.

2017-12-01

Incomplete penetration defect is a common defect in the welded joint of pressure pipes. While the safety classification of pressure pipe containing incomplete penetration defects, according to periodical inspection regulations in present, is more conservative. For reducing the repair of incomplete penetration defect, a scientific and applicable safety assessment method for pressure pipe is needed. In this paper, the stress analysis model of the pipe system was established for the in-service pressure bending pipe containing incomplete penetration defects. The local finite element model was set up to analyze the stress distribution of defect location and the stress linearization. And then, the applicability of two assessment methods, simplified assessment and U factor assessment method, to the assessment of incomplete penetration defects located at pressure bending pipe were analyzed. The results can provide some technical supports for the safety assessment of complex pipelines in the future.

Nonequilibrium Steady State Generated by a Moving Defect: The Supersonic Threshold

NASA Astrophysics Data System (ADS)

Bastianello, Alvise; De Luca, Andrea

2018-02-01

We consider the dynamics of a system of free fermions on a 1D lattice in the presence of a defect moving at constant velocity. The defect has the form of a localized time-dependent variation of the chemical potential and induces at long times a nonequilibrium steady state (NESS), which spreads around the defect. We present a general formulation that allows recasting the time-dependent protocol in a scattering problem on a static potential. We obtain a complete characterization of the NESS. In particular, we show a strong dependence on the defect velocity and the existence of a sharp threshold when such velocity exceeds the speed of sound. Beyond this value, the NESS is not produced and, remarkably, the defect travels without significantly perturbing the system. We present an exact solution for a δ -like defect traveling with an arbitrary velocity and we develop a semiclassical approximation that provides accurate results for smooth defects.

Comprehensive studies of structural, electronic and magnetic properties of Zn{sub 0.95}Co{sub 0.05}O nanopowders

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

Radisavljević, Ivana, E-mail: iva@vin.bg.ac.rs; Novaković, Nikola; Matović, Branko

2016-02-15

Highlights: • Zn{sub 0.95}Co{sub 0.05}O nanopowders are characterized by high structural order. • Co atoms show no tendency for Co–Co clustering and Co–Ov complexes formation. • Co–O–Co clustering along the c-axis has not lead to ferromagnetic order. • XMCD provides no evidence of magnetic polarization of O 2p and Co 3d states. - Abstract: X-ray absorption (XANES, EXAFS, XMCD) and photoelectron (XPS) spectroscopic techniques were employed to study local structural, electronic and magnetic properties of Zn{sub 0.95}Co{sub 0.05}O nanopowders. The substitutional Co{sup 2+} ions are incorporated in ZnO lattice at regular Zn sites and the sample is characterized by highmore » structural order. There was no sign of ferromagnetic ordering of Co magnetic moments and the sample is in paramagnetic state at all temperatures down to 5 K. The possible connection of the structural defects with the absence of ferromagnetism is discussed on the basis of theoretical calculations of the O K-edge absorption spectra.« less

Tuning the Curie temperature of L1{sub 0} ordered FePt thin films through site-specific substitution of Rh

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

Xu, Dongbin, E-mail: dongbin.xu@seagate.com; Department of Materials Science and Engineering, National University of Singapore, Singapore 117576; Sun, Cheng-Jun, E-mail: cjsun@aps.anl.gov, E-mail: msecgm@nus.edu.sg

2014-10-14

In structurally ordered magnetic thin films, the Curie temperature (T{sub C}) of ferromagnetic films depends on the exchange integral of the short range ordered neighboring atoms. The exchange integral may be adjusted by controlling the elemental substitutional concentration at the lattice site of interest. We show how to control the T{sub C} in high anisotropy L1{sub 0} Fe{sub 50}Pt{sub 50} magnetic thin films by substituting Rh into the Pt site. Rh substitution in L1{sub 0} FePt modified the local atomic environment and the corresponding electronic properties, while retaining the ordered L1{sub 0} phase. The analysis of extended x-ray Absorption Finemore » Structure spectra shows that Rh uniformly substitutes for Pt in L1{sub 0} FePt. A model of antiferromagnetic defects caused by controlled Rh substitution of the Pt site, reducing the T{sub C,} is proposed to interpret this phenomenon and its validity is further examined by ab initio density functional calculations.« less

Virtual surgical planning and three-dimensional printing in multidisciplinary oncologic chest wall resection and reconstruction: A case report.

PubMed

Sharaf, Basel; Sabbagh, M Diya; Vijayasekaran, Aparna; Allen, Mark; Matsumoto, Jane

2018-04-30

Primary sarcomas of the sternum are extremely rare and present the surgical teams involved with unique challenges. Historically, local muscle flaps have been utilized to reconstruct the resulting defect. However, when the resulting oncologic defect is larger than anticipated, local tissues have been radiated, or when preservation of chest wall muscles is necessary to optimize function, local reconstructive options are unsuitable. Virtual surgical planning (VSP) and in house three-dimensional (3D) printing provides the platform for improved understanding of the anatomy of complex tumours, communication amongst surgeons, and meticulous pre-operative planning. We present the novel use of this technology in the multidisciplinary surgical care of a 35 year old male with primary sarcoma of the sternum. Emphasis on minimizing morbidity, maintaining function of chest wall muscles, and preservation of the internal mammary vessels for microvascular anastomosis are discussed. While the majority of patients at our institution receive local or regional flaps for reconstruction of thoracic defects, advances in microvascular surgery allow the reconstructive surgeon the latitude to choose other flap options if necessary. VSP and 3D printing allowed the surgical team involved to utilize free tissue transfer to reconstruct the defect with free tissue transfer from the thigh. Perseveration of the internal mammary vessels was paramount during tumor extirpation. Virtual surgical planning and rapid prototyping is a useful adjunct to standard imaging in complex chest wall resection and reconstruction. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor.

PubMed

Madrigal, Carlos A; Branch, John W; Restrepo, Alejandro; Mery, Domingo

2017-10-02

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%.

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor

PubMed Central

Branch, John W.

2017-01-01

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%. PMID:28974037

Primordial inhomogeneities from massive defects during inflation

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

Firouzjahi, Hassan; Karami, Asieh; Rostami, Tahereh, E-mail: firouz@ipm.ir, E-mail: karami@ipm.ir, E-mail: t.rostami@ipm.ir

2016-10-01

We consider the imprints of local massive defects, such as a black hole or a massive monopole, during inflation. The massive defect breaks the background homogeneity. We consider the limit that the physical Schwarzschild radius of the defect is much smaller than the inflationary Hubble radius so a perturbative analysis is allowed. The inhomogeneities induced in scalar and gravitational wave power spectrum are calculated. We obtain the amplitudes of dipole, quadrupole and octupole anisotropies in curvature perturbation power spectrum and identify the relative configuration of the defect to CMB sphere in which large observable dipole asymmetry can be generated. Wemore » observe a curious reflection symmetry in which the configuration where the defect is inside the CMB comoving sphere has the same inhomogeneous variance as its mirror configuration where the defect is outside the CMB sphere.« less

On-Line Monitoring and Diagnostics of the Integrity of Nuclear Plant Steam Generators and Heat Exchangers

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

Belle R. Upadhyaya; J. Wesley Hines

2004-09-27

Integrity monitoring and flaw diagnostics of flat beams and tubular structures was investigated in this research task using guided acoustic signals. A piezo-sensor suite was deployed to activate and collect Lamb wave signals that propagate along metallic specimens. The dispersion curves of Lamb waves along plate and tubular structures are generated through numerical analysis. Several advanced techniques were explored to extract representative features from acoustic time series. Among them, the Hilbert-Huang transform (HHT) is a recently developed technique for the analysis of non-linear and transient signals. A moving window method was introduced to generate the local peak characters from acousticmore » time series, and a zooming window technique was developed to localize the structural flaws. The time-frequency analysis and pattern recognition techniques were combined for classifying structural defects in brass tubes. Several types of flaws in brass tubes were tested, both in the air and in water. The techniques also proved to be effective under background/process noise. A detailed theoretical analysis of Lamb wave propagation was performed and simulations were carried out using the finite element software system ABAQUS. This analytical study confirmed the behavior of the acoustic signals acquired from the experimental studies. The report presents the background the analysis of acoustic signals acquired from piezo-electric transducers for structural defect monitoring. A comparison of the use of time-frequency techniques, including the Hilbert-Huang transform, is presented. The report presents the theoretical study of Lamb wave propagation in flat beams and tubular structures, and the need for mode separation in order to effectively perform defect diagnosis. The results of an extensive experimental study of detection, location, and isolation of structural defects in flat aluminum beams and brass tubes are presented. The results of this research show the feasibility of on-line monitoring of small structural flaws by the use of transient and nonlinear acoustic signal analysis, and its implementation by the proper design of a piezo-electric transducer suite.« less

Reconstruction with a 180-degree Rotationally Divided Latissimus-dorsi-musculocutaneous Flap after the Removal of Locally Advanced Breast Cancer

PubMed Central

Kirita, Miho; Sakurai, Hiroyuki

2014-01-01

Summary: This study described a technique for reconstruction of a large lateral thoracic region defect after locally advanced breast cancer resection that allows for full coverage of the defect and primary closure of the flap donor site. The authors performed reconstruction using the newly designed 180-degree rotationally-divided latissimus-dorsi-musculocutaneous flap in a 42-year-old woman for coverage of a large skin defect (18 × 15 cm) following extensive tissue resection for locally advanced breast cancer. The latissimus-dorsi-musculocutaneous flap, consisting of two rotated skin islands (18 × 7.5 cm each) that were sutured to form a large skin island, was used for coverage of the defect. The flap was sutured without causing excessive tension in the recipient region and the donor site was closed with simple reefing. No skin grafting was necessary. The flap survived completely, shoulder joint function was intact, and esthetic outcome was satisfactory. Quick wound closure allowed postoperative irradiation to be started 1 month after surgery. The technique offered advantages over the conventional pedicled latissimus-dorsi-musculocutaneous flap, but the flap was unable to be used, when the thoracodorsal artery and vein were damaged during extensive tissue removal. Detailed planning before surgery with breast surgeons would be essential. PMID:25426400

Defects in crystalline packings of twisted filament bundles. I. Continuum theory of disclinations.

PubMed

Grason, Gregory M

2012-03-01

We develop the theory of the coupling between in-plane order and out-of-plane geometry in twisted, two-dimensionally ordered filament bundles based on the nonlinear continuum elasticity theory of columnar materials. We show that twisted textures of filament backbones necessarily introduce stresses into the cross-sectional packing of bundles and that these stresses are formally equivalent to the geometrically induced stresses generated in thin elastic sheets that are forced to adopt spherical curvature. As in the case of crystalline order on curved membranes, geometrically induced stresses couple elastically to the presence of topological defects in the in-plane order. We derive the effective theory of multiple disclination defects in the cross section of bundle with a fixed twist and show that above a critical degree of twist, one or more fivefold disclinations is favored in the elastic energy ground state. We study the structure and energetics of multidisclination packings based on models of equilibrium and nonequilibrium cross-sectional order.

Topics in Cosmic String Physics and Vacuum Stability of Field Theories

NASA Astrophysics Data System (ADS)

Dasgupta, Indranil

1998-01-01

In this thesis I examine aspects of the vacuum state of quantum field theories. Namely, I study topological defects in the vacuum which appear as localized regions of non-zero energy density if the model system is unable to relax to a homogeneous and isotropic ground state because of topological constraints. I also examine the stability of the so called false vacua in theories that have multiple vacuum states with different energy densities. I first consider topological defects in the form of strings and independently the decay of false vacua in models of particle physics where the presence of either defects or of false vacua leads to interesting phenomenology. Then I describe a situation in which the defects arising from topological properties of the vacuum in turn affect the stability of the vacuum itself. In the first part of this work (chapters 2 and 3), I explore the phenomenology of cosmic strings. I introduce new string-like topological defects that resemble pairs of strings bound together. I give an existence proof of these 'binary strings' and then develop their cosmological properties in detail. I then propose a simple extension of the Standard Model in which cosmic strings may form and then decay through baryon number violating interactions leading to baryogenesis. I show that the model has distinct and testable signatures. In the second part of this work (chapters 4 and 5), I examine the vacua of several proposed models of gauge mediated dynamical supersymmetry breaking and show that the viable vacua are often unstable. I develop a rigorous theory for approximating vacuum tunneling rates in multi-scalar field theories and by computing bounds on the decay rate of the vacua in these models obtain useful constraints on the parameter space. In the final part of this work (chapter 6), I develop a theory of vacuum tunneling induced by topological defects. I show that defects can speed up vacuum tunneling rates by seeding new kinds of bubbles during a first order phase transition. I then indicate possible phenomenological applications of this effect and develop simple approximation techniques for computing the rate of seeded tunneling.

Role of defects in BiFeO₃ multiferroic films and their local electronic structure by x-ray absorption spectroscopy

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

Ravalia, Ashish; Vagadia, Megha; Solanki, P. S.

2014-10-21

Present study reports the role of defects in the electrical transport in BiFeO₃ (BFO) multiferroic films and its local electronic structure investigated by near-edge X-ray absorption fine structure. Defects created by high energy 200 MeV Ag⁺¹⁵ ion irradiation with a fluence of ∼5 × 10¹¹ ions/cm² results in the increase in structural strain and reduction in the mobility of charge carriers and enhancement in resistive (I-V) and polarization (P-E) switching behaviour. At higher fluence of ∼5 × 10¹² ions/cm², there is a release in the structural strain due to local annealing effect, resulting in an increase in the mobility of charge carriers, which are releasedmore » from oxygen vacancies and hence suppression in resistive and polarization switching. Near-edge X-ray absorption fine structure studies at Fe L₃,₂- and O K-edges show a significant change in the spectral features suggesting the modifications in the local electronic structure responsible for changes in the intrinsic magnetic moment and electrical transport properties of BFO.« less

A coverage and slicing dependencies analysis for seeking software security defects.

PubMed

He, Hui; Zhang, Dongyan; Liu, Min; Zhang, Weizhe; Gao, Dongmin

2014-01-01

Software security defects have a serious impact on the software quality and reliability. It is a major hidden danger for the operation of a system that a software system has some security flaws. When the scale of the software increases, its vulnerability has becoming much more difficult to find out. Once these vulnerabilities are exploited, it may lead to great loss. In this situation, the concept of Software Assurance is carried out by some experts. And the automated fault localization technique is a part of the research of Software Assurance. Currently, automated fault localization method includes coverage based fault localization (CBFL) and program slicing. Both of the methods have their own location advantages and defects. In this paper, we have put forward a new method, named Reverse Data Dependence Analysis Model, which integrates the two methods by analyzing the program structure. On this basis, we finally proposed a new automated fault localization method. This method not only is automation lossless but also changes the basic location unit into single sentence, which makes the location effect more accurate. Through several experiments, we proved that our method is more effective. Furthermore, we analyzed the effectiveness among these existing methods and different faults.

Management of localized advance loss of periodontal support associated Grade II furcation and intrabony defect in chronic periodontitis patient through amalgamation of platelet-rich fibrin and hydroxyapatite bioactive glass composite granules.

PubMed

Salaria, Sanjeev Kumar; Ghuman, Simrat Kaur; Kumar, Saurabh; Sharma, Garima

2016-01-01

Periodontal disease is infectious, complex, multifactorial, chronic inflammatory disease of supporting periodontal tissues that not only alters the bone morphology but also leads to the reduction in bone height. Different types of bony deformities such as horizontal, vertical, craters, and furcation result from periodontal disease, but vertical and Grade II furcation defects are more amenable to regenerative periodontal therapy. The present case report describes the current concept of periodontal diagnosis and the clinical radiographical efficiency of platelet-rich fibrin and hydroxyapatite bioactive glass composite granules graft combination in the management of localized advance osseous defects with respect to tooth number 36 in chronic periodontitis patient at 1 year postoperatively.

A hybrid density functional study of silicon and phosphorus doped hexagonal boron nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Igumbor, E.; Chetty, N.

2016-10-01

We present a hybrid density functional study of silicon (Si) and phosphorus (P) doped hexagonal boron nitride (h-BN). The local geometry, electronic structure and thermodynamic stability of Si B , Si N , P B and P N are examined using hybrid Heyd-Scuseria- Ernzerhof (HSE) functional. The defect induced buckling and the local bond distances around the defect are sensitive to charge state modulation q = -2, -1, 0, +1 and +2. The +1 charge state is found to be the most energetically stable state and significantly reduces the buckling. Based on the charge state thermodynamic transition levels, we noted that the Si N , Si N and P B defects are too deep to be ionized, and can alter the optical properties of h-BN material.

Improving superconductivity in BaFe2As2-based crystals by cobalt clustering and electronic uniformity.

PubMed

Li, L; Zheng, Q; Zou, Q; Rajput, S; Ijaduola, A O; Wu, Z; Wang, X P; Cao, H B; Somnath, S; Jesse, S; Chi, M; Gai, Z; Parker, D; Sefat, A S

2017-04-19

Quantum materials such as antiferromagnets or superconductors are complex in that chemical, electronic, and spin phenomena at atomic scales can manifest in their collective properties. Although there are some clues for designing such materials, they remain mainly unpredictable. In this work, we find that enhancement of transition temperatures in BaFe 2 As 2 -based crystals are caused by removing local-lattice strain and electronic-structure disorder by thermal annealing. While annealing improves Néel-ordering temperature in BaFe 2 As 2 crystal (T N  = 132 K to 136 K) by improving in-plane electronic defects and reducing overall a-lattice parameter, it increases superconducting-ordering temperature in optimally cobalt-doped BaFe 2 As 2 crystal (T c  = 23 to 25 K) by precipitating-out the cobalt dopants and giving larger overall a-lattice parameter. While annealing improves local chemical and electronic uniformity resulting in higher T N in the parent, it promotes nanoscale phase separation in the superconductor resulting in lower disparity and strong superconducting band gaps in the dominant crystal regions, which lead to both higher overall T c and critical-current-density, J c .

Improving superconductivity in BaFe 2As 2-based crystals by cobalt clustering and electronic uniformity

DOE PAGES

Li, L.; Zheng, Q.; Zou, Q.; ...

2017-04-19

Quantum materials such as antiferromagnets or superconductors are complex in that chemical, electronic, and spin phenomena at atomic scales can manifest in their collective properties. Although there are some clues for designing such materials, they remain mainly unpredictable. In this work, we find that enhancement of transition temperatures in BaFe 2As 2-based crystals are caused by removing local-lattice strain and electronic-structure disorder by thermal annealing. While annealing improves Neel-ordering temperature in BaFe 2As 2 crystal (T N=132K to 136K) by improving in-plane electronic defects and reducing overall a-lattice parameter, it increases superconducting-ordering temperature in optimally cobalt-doped BaFe 2As 2 crystalmore » (T c=23 to 25K) by precipitating-out the cobalt dopants and giving larger overall a-lattice parameter. And while annealing improves local chemical and electronic uniformity resulting in higher T N in the parent, it also promotes nanoscale phase separation in the superconductor resulting in lower disparity and strong superconducting band gaps in the dominant crystal regions, which lead to both higher overall T c and critical-current-density, J c« less

Improving superconductivity in BaFe 2As 2-based crystals by cobalt clustering and electronic uniformity

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

Li, L.; Zheng, Q.; Zou, Q.

Quantum materials such as antiferromagnets or superconductors are complex in that chemical, electronic, and spin phenomena at atomic scales can manifest in their collective properties. Although there are some clues for designing such materials, they remain mainly unpredictable. In this work, we find that enhancement of transition temperatures in BaFe 2As 2-based crystals are caused by removing local-lattice strain and electronic-structure disorder by thermal annealing. While annealing improves Neel-ordering temperature in BaFe 2As 2 crystal (T N=132K to 136K) by improving in-plane electronic defects and reducing overall a-lattice parameter, it increases superconducting-ordering temperature in optimally cobalt-doped BaFe 2As 2 crystalmore » (T c=23 to 25K) by precipitating-out the cobalt dopants and giving larger overall a-lattice parameter. And while annealing improves local chemical and electronic uniformity resulting in higher T N in the parent, it also promotes nanoscale phase separation in the superconductor resulting in lower disparity and strong superconducting band gaps in the dominant crystal regions, which lead to both higher overall T c and critical-current-density, J c« less

Cranial Defects and Cranioplasty. Part 8. Chapter 194,

DTIC Science & Technology

1984-01-01

scalp incision is outlined on the skin outside the area of the defect and infiltrated with a local anesthetic containing adrenalin. (c) Margins of the...plate to repair cleft palates in the first instance of an alloplastic material to repair a defect. J. van 14eekren in 1670 is credited with the first...osteomyelitis, infected skull flaps), aseptic necrosis of skull flaps, radionecrosis and electrical burns of skull, con- genital absences of skull

Operator product expansion for conformal defects

NASA Astrophysics Data System (ADS)

Fukuda, Masayuki; Kobayashi, Nozomu; Nishioka, Tatsuma

2018-01-01

We study the operator product expansion (OPE) for scalar conformal defects of any codimension in CFT. The OPE for defects is decomposed into "defect OPE blocks", the irreducible representations of the conformal group, each of which packages the contribution from a primary operator and its descendants. We use the shadow formalism to deduce an integral representation of the defect OPE blocks. They are shown to obey a set of constraint equations that can be regarded as equations of motion for a scalar field propagating on the moduli space of the defects. By employing the Radon transform between the AdS space and the moduli space, we obtain a formula of constructing an AdS scalar field from the defect OPE block for a conformal defect of any codimension in a scalar representation of the conformal group, which turns out to be the Euclidean version of the HKLL formula. We also introduce a duality between conformal defects of different codimensions and prove the equivalence between the defect OPE block for codimension-two defects and the OPE block for a pair of local operators.

Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

NASA Astrophysics Data System (ADS)

Crocombette, Jean-Paul; Van Brutzel, Laurent; Simeone, David; Luneville, Laurence

2016-06-01

Displacement cascades have been calculated in two ordered alloys (Ni3Al and UO2) in the molecular dynamics framework using the CMDC (Cell Molecular Dynamics for Cascade) code (J.-P. Crocombette and T. Jourdan, Nucl. Instrum. Meth. B 352, 9 (2015)) for energies ranking between 0.1 and 580 keV. The defect production has been compared to the prediction of the NRT (Norgett, Robinson and Torrens) standard. One observes a decrease with energy of the number of defects compared to the NRT prediction at intermediate energies but, unlike what is commonly observed in elemental solids, the number of produced defects does not always turn to a linear variation with ballistic energy at high energies. The fragmentation of the cascade into subcascades has been studied through the analysis of surviving defect pockets. It appears that the common knowledge equivalence of linearity of defect production and subcascades division does not hold in general for alloys. We calculate the average number of subcascades and average number of defects per subcascades as a function of ballistic energy. We find an unexpected variety of behaviors for these two average quantities above the threshold for subcascade formation.

Octahedral tilt transitions in the relaxor ferroelectric Na{sub 1/2}Bi{sub 1/2}TiO{sub 3}

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

Meyer, Kai-Christian, E-mail: meyer@mm.tu-darmstadt.de; Gröting, Melanie; Albe, Karsten

2015-07-15

The kinetics of octahedral tilt transitions in the lead-free relaxor material sodium bismuth titanate Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} (NBT) is investigated by electronic structure calculations within density functional theory. Energy barriers for transitions between tetragonal, rhombohedral and orthorhombic tilts in cation configurations with [001]- and [111]-order on the A-sites are determined by nudged elastic band calculations. By tilting entire layers of octahedra simultaneously we find that the activation energy is lower for structures with 001-order compared to such with 111-order. The energetic coupling between differently tilted layers is, however, negligibly small. By introducing a single octahedral defect we create localmore » tilt disorder and find that the deformation energy of the neighboring octahedra is less in a rhombohedral than in a tetragonal structure. By successively increasing the size of clusters of orthorhombic defects in a rhombohedral matrix with 001-order, we determine a critical cluster size of about 40 Å . Thus groups of about ten octahedra can be considered as nuclei for polar nanoregions, which are the cause of the experimentally observed relaxor behavior of NBT. - Graphical abstract: Nine orthorhombic oxygen octahedral tilt defects in a rhombohedral tilt configuration. - Highlights: • Chemical order influences energy barriers of octahedral tilt transitions. • The octahedral deformation energy is lower in rhombohedral phases. • Tilt defect clusters are more likely in rhombohedral structures. • Tilt defect clusters can act as nuclei for polar nanoregions.« less

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.

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

Method for Vibration Response Simulation and Sensor Placement Optimization of a Machine Tool Spindle System with a Bearing Defect

PubMed Central

Cao, Hongrui; Niu, Linkai; He, Zhengjia

2012-01-01

Bearing defects are one of the most important mechanical sources for vibration and noise generation in machine tool spindles. In this study, an integrated finite element (FE) model is proposed to predict the vibration responses of a spindle bearing system with localized bearing defects and then the sensor placement for better detection of bearing faults is optimized. A nonlinear bearing model is developed based on Jones' bearing theory, while the drawbar, shaft and housing are modeled as Timoshenko's beam. The bearing model is then integrated into the FE model of drawbar/shaft/housing by assembling equations of motion. The Newmark time integration method is used to solve the vibration responses numerically. The FE model of the spindle-bearing system was verified by conducting dynamic tests. Then, the localized bearing defects were modeled and vibration responses generated by the outer ring defect were simulated as an illustration. The optimization scheme of the sensor placement was carried out on the test spindle. The results proved that, the optimal sensor placement depends on the vibration modes under different boundary conditions and the transfer path between the excitation and the response. PMID:23012514

The stability of vacancy-like defects in amorphous silicon

NASA Astrophysics Data System (ADS)

Joly, Jean-Francois; Mousseau, Normand

2013-03-01

The contribution of vacancy-like defects to the relaxation of amorphous silicon (a-Si) has been a matter of debate for a long time. Due to their disordered nature, there is a large number local environments in which such a defect can exists. Previous numerical studies the vacancy in a-Si have been limited to small systems and very short timescales. Here we use kinectic ART (k-ART), an off-lattice kinetic Monte-Carlo simulation method with on-the-fly catalog building to study the time evolution of 1000 different single vacancy configurations in a well-relaxed a-Si model. Our results show that most of the vacancies are annihlated quickly. In fact, while 16% of the 1000 isolated vacancies survive for more than 1 ns of simulated time, 0.043% remain after 1 ms and only 6 of them survive longer than 0.1 second. Diffusion of the full vacancy is only seen in 19% of the configurations and diffusion usually leads directly to the annihilation of the defect. The actual annihilation event, in which one of the defective atoms fills the vacancy, is usually similar in all the configurations but local bonding environment heavily influence its activation barrier and relaxation energy.

Electronic and optical properties of Cu2XSnS4 (X = Be, Mg, Ca, Mn, Fe, and Ni) and the impact of native defect pairs

NASA Astrophysics Data System (ADS)

Chen, Rongzhen; Persson, Clas

2017-05-01

Reducing or controlling cation disorder in Cu2ZnSnS4 is a major challenge, mainly due to low formation energies of the anti-site pair ( CuZn - + ZnCu +) and the compensated Cu vacancy ( VCu - + ZnCu +). We study the electronic and optical properties of Cu2XSnS4 (CXTS, with X = Be, Mg, Ca, Mn, Fe, and Ni) and the impact of defect pairs, by employing the first-principles method within the density functional theory. The calculations indicate that these compounds can be grown in either the kesterite or stannite tetragonal phase, except Cu2CaSnS4 which seems to be unstable also in its trigonal phase. In the tetragonal phase, all six compounds have rather similar electronic band structures, suitable band-gap energies Eg for photovoltaic applications, as well as good absorption coefficients α(ω). However, the formation of the defect pairs ( C u X + X Cu) and ( V Cu + X Cu) is an issue for these compounds, especially considering the anti-site pair which has formation energy in the order of ˜0.3 eV. The ( C u X + X Cu) pair narrows the energy gap by typically ΔEg ≈ 0.1-0.3 eV, but for Cu2NiSnS4, the complex yields localized in-gap states. Due to the low formation energy of ( C u X + X Cu), we conclude that it is difficult to avoid disordering from the high concentration of anti-site pairs. The defect concentration in Cu2BeSnS4 is however expected to be significantly lower (as much as ˜104 times at typical device operating temperature) compared to the other compounds, which is partly explained by larger relaxation effects in Cu2BeSnS4 as the two anti-site atoms have different sizes. The disadvantage is that the stronger relaxation has a stronger impact on the band-gap narrowing. Therefore, instead of trying to reduce the anti-site pairs, we suggest that one shall try to compensate ( C u X + X Cu) with ( V Cu + X Cu) or other defects in order to stabilize the gap energy.

A YAC contig spanning the dominant retinitis pigmentosa locus (RP9) on chromosome 7p

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

Keen, T.J.; Inglehearn, C.F.; Patel, R.J.

1995-08-10

The dominant retinitis pigmentosa locus RP9 has previously been localized to 7p13-p15, in the interval D7S526-D7S484. We now report refinement of the locus to the interval D7S795-D7S484 and YAC contig of approximately 4.8 Mb spanning this region and extending both distally and proximally from it. The contig was constructed by STS content mapping and physically orders 29 STSs in 28 YAC clones. The order of polymorphic markers in the contig is consistent with a genetic map that has been assembled using haplotype data from the CEPH pedigrees. This contig will provide a primary resource for the construction of a transcriptionalmore » map of this region and for the identification of the defective gene causing this form of adRP. 27 refs., 3 figs., 1 tab.« less

Analytical interatomic potential for modeling nonequilibrium processes in the W-C-H system

NASA Astrophysics Data System (ADS)

Juslin, N.; Erhart, P.; Träskelin, P.; Nord, J.; Henriksson, K. O. E.; Nordlund, K.; Salonen, E.; Albe, K.

2005-12-01

A reactive interatomic potential based on an analytical bond-order scheme is developed for the ternary system W-C-H. The model combines Brenner's hydrocarbon potential with parameter sets for W-W, W-C, and W-H interactions and is adjusted to materials properties of reference structures with different local atomic coordinations including tungsten carbide, W-H molecules, as well as H dissolved in bulk W. The potential has been tested in various scenarios, such as surface, defect, and melting properties, none of which were considered in the fitting. The intended area of application is simulations of hydrogen and hydrocarbon interactions with tungsten, which have a crucial role in fusion reactor plasma-wall interactions. Furthermore, this study shows that the angular-dependent bond-order scheme can be extended to second nearest-neighbor interactions, which are relevant in body-centered-cubic metals. Moreover, it provides a possibly general route for modeling metal carbides.

Manipulating multiple order parameters via oxygen vacancies: The case of E u0.5B a0.5Ti O3 -δ

NASA Astrophysics Data System (ADS)

Li, Weiwei; He, Qian; Wang, Le; Zeng, Huizhong; Bowlan, John; Ling, Langsheng; Yarotski, Dmitry A.; Zhang, Wenrui; Zhao, Run; Dai, Jiahong; Gu, Junxing; Shen, Shipeng; Guo, Haizhong; Pi, Li; Wang, Haiyan; Wang, Yongqiang; Velasco-Davalos, Ivan A.; Wu, Yangjiang; Hu, Zhijun; Chen, Bin; Li, Run-Wei; Sun, Young; Jin, Kuijuan; Zhang, Yuheng; Chen, Hou-Tong; Ju, Sheng; Ruediger, Andreas; Shi, Daning; Borisevich, Albina Y.; Yang, Hao

2017-09-01

Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition-metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combining experimental and density-functional theory studies of E u0.5B a0.5Ti O3 -δ , we demonstrate that oxygen vacancies create T i3 +3 d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4 f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the E u0.5B a0.5Ti O3 -δ .

The outbreak of cooperation among success-driven individuals under noisy conditions

PubMed Central

Helbing, Dirk; Yu, Wenjian

2009-01-01

According to Thomas Hobbes' Leviathan [1651; 2008 (Touchstone, New York), English Ed], “the life of man [is] solitary, poor, nasty, brutish, and short,” and it would need powerful social institutions to establish social order. In reality, however, social cooperation can also arise spontaneously, based on local interactions rather than centralized control. The self-organization of cooperative behavior is particularly puzzling for social dilemmas related to sharing natural resources or creating common goods. Such situations are often described by the prisoner's dilemma. Here, we report the sudden outbreak of predominant cooperation in a noisy world dominated by selfishness and defection, when individuals imitate superior strategies and show success-driven migration. In our model, individuals are unrelated, and do not inherit behavioral traits. They defect or cooperate selfishly when the opportunity arises, and they do not know how often they will interact or have interacted with someone else. Moreover, our individuals have no reputation mechanism to form friendship networks, nor do they have the option of voluntary interaction or costly punishment. Therefore, the outbreak of prevailing cooperation, when directed motion is integrated in a game-theoretical model, is remarkable, particularly when random strategy mutations and random relocations challenge the formation and survival of cooperative clusters. Our results suggest that mobility is significant for the evolution of social order, and essential for its stabilization and maintenance. PMID:19237576

The outbreak of cooperation among success-driven individuals under noisy conditions.

PubMed

Helbing, Dirk; Yu, Wenjian

2009-03-10

According to Thomas Hobbes' Leviathan [1651; 2008 (Touchstone, New York), English Ed], "the life of man [is] solitary, poor, nasty, brutish, and short," and it would need powerful social institutions to establish social order. In reality, however, social cooperation can also arise spontaneously, based on local interactions rather than centralized control. The self-organization of cooperative behavior is particularly puzzling for social dilemmas related to sharing natural resources or creating common goods. Such situations are often described by the prisoner's dilemma. Here, we report the sudden outbreak of predominant cooperation in a noisy world dominated by selfishness and defection, when individuals imitate superior strategies and show success-driven migration. In our model, individuals are unrelated, and do not inherit behavioral traits. They defect or cooperate selfishly when the opportunity arises, and they do not know how often they will interact or have interacted with someone else. Moreover, our individuals have no reputation mechanism to form friendship networks, nor do they have the option of voluntary interaction or costly punishment. Therefore, the outbreak of prevailing cooperation, when directed motion is integrated in a game-theoretical model, is remarkable, particularly when random strategy mutations and random relocations challenge the formation and survival of cooperative clusters. Our results suggest that mobility is significant for the evolution of social order, and essential for its stabilization and maintenance.

Hole localization, migration, and the formation of peroxide anion in perovskite SrTiO3

NASA Astrophysics Data System (ADS)

Chen, Hungru; Umezawa, Naoto

2014-07-01

Hybrid density functional calculations are carried out to investigate the behavior of holes in SrTiO3. As in many other oxides, it is shown that a hole tend to localize on one oxygen forming an O- anion with a concomitant lattice distortion; therefore a hole polaron. The calculated emission energy from the recombination of the localized hole and a conduction-band electron is about 2.5 eV, in good agreement with experiments. Therefore the localization of the hole or self-trapping is likely to be responsible for the green photoluminescence at low temperature, which was previously attributed to an unknown defect state. Compared to an electron, the calculated hole polaron mobility is three orders of magnitude lower at room temperature. In addition, two O- anions can bind strongly to form an O22- peroxide anion. No electronic states associated with the O22- peroxide anion are located inside the band gap or close to the band edges, indicating that it is electronically inactive. We suggest that in addition to the oxygen vacancy, the formation of the O22- peroxide anion can be an alternative to compensate acceptor doping in SrTiO3.

Optical transitions in two-dimensional topological insulators with point defects

NASA Astrophysics Data System (ADS)

Sablikov, Vladimir A.; Sukhanov, Aleksei A.

2016-12-01

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

Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

NASA Astrophysics Data System (ADS)

Lyu, Dandan; Li, Shaofan

2017-10-01

Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

Extradural myelomeningocele reconstruction using local turnover fascial flaps and midline linear skin closure.

PubMed

Patel, Kamlesh B; Taghinia, Amir H; Proctor, Mark R; Warf, Benjamin C; Greene, Arin K

2012-11-01

Myelomeningocele is the most common neural tube defect. Repair typically involves deep closure with regional muscle flaps (e.g. latissimus dorsi, gluteus maximus) and skin closure with rotation, bipedicle, or rhomboid flaps. We describe the reconstruction of large myelomeningocele defects using (1) local fascial turnover flaps with or without paraspinous muscle flaps for deep coverage of the dural repair followed by (2) linear, midline skin closure. Copyright © 2012 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Evaluate methodology to determine localized roughness.

DOT National Transportation Integrated Search

2016-03-01

The Texas Department of Transportation implements a smoothness specification based on inertial profile : measurements. This specification includes a localized roughness provision to locate defects on the final : surface based on measured surface prof...

Stable gray soliton pinned by a defect in a microcavity-polariton condensate.

PubMed

Chen, Ting-Wei; Hsieh, Wen-Feng; Cheng, Szu-Cheng

2015-09-21

We study the spatially localized dark state, called dark soliton, in a one-dimensional system of the non-resonantly pumped microcavity-polariton condensate (MPC). From the recent work by Xue and Matuszewski [Phys. Rev. Lett. 112, 216401 (2014)], we know that the dark soliton in the pure MPC system is unstable. But we find that a dark soliton pinned by a defect in the impure MPC becomes a gray soliton and can be stabilized by the presence of a defect. Moreover, the stable regime of the gray soliton is given in terms of the defect strength and pump parameter.

3D Printing of Materials with Tunable Failure via Bioinspired Mechanical Gradients.

PubMed

Kokkinis, Dimitri; Bouville, Florian; Studart, André R

2018-05-01

Mechanical gradients are useful to reduce strain mismatches in heterogeneous materials and thus prevent premature failure of devices in a wide range of applications. While complex graded designs are a hallmark of biological materials, gradients in manmade materials are often limited to 1D profiles due to the lack of adequate fabrication tools. Here, a multimaterial 3D-printing platform is developed to fabricate elastomer gradients spanning three orders of magnitude in elastic modulus and used to investigate the role of various bioinspired gradient designs on the local and global mechanical behavior of synthetic materials. The digital image correlation data and finite element modeling indicate that gradients can be effectively used to manipulate the stress state and thus circumvent the weakening effect of defect-rich interfaces or program the failure behavior of heterogeneous materials. Implementing this concept in materials with bioinspired designs can potentially lead to defect-tolerant structures and to materials whose tunable failure facilitates repair of biomedical implants, stretchable electronics, or soft robotics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlations of crystallographic defects and anisotropy with magnetotransport properties in Fe x TaS 2 single crystals ( 0.23 ≤ x ≤ 0.35 )

DOE PAGES

Chen, Chih-Wei; Chikara, Shalinee; Zapf, Vivien S.; ...

2016-08-02

Very large magnetoresistance discovered in single crystals of the ferromagnetic Fe-intercalated transition metal dichalcogenide, Fe 0.28TaS 2 was attributed to the deviation of the Fe concentration from commensurate values (x = 1/4 or 1/3), which caused magnetic moment misalignments. Here we report a study of Fe xTaS 2 crystals with 0:23 ≤ x ≤ 0:35, demonstrating that crystallographic defects lead to spin disorder, which correlates with magneto-transport properties such as switching magnetic fi eld HS, magnetoresistance MR, and even zero-field resistivity ρ0 and temperature coefficient A in ρ(T) = ρ 0 + AT 2: The ordering temperature T C andmore » Weiss temperature θ W are maximized at the superstructure composition x = 1/4, while H s, MR, ρ 0, and A are minimum. Conversely, at a composition intermediate between the superstructure compositions x = 1/4 and 1/3, the corresponding magneto-transport properties reach local maxima.« less

Correlations of crystallographic defects and anisotropy with magnetotransport properties in Fe x TaS 2 single crystals ( 0.23 ≤ x ≤ 0.35 )

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

Chen, Chih-Wei; Chikara, Shalinee; Zapf, Vivien S.

Very large magnetoresistance discovered in single crystals of the ferromagnetic Fe-intercalated transition metal dichalcogenide, Fe 0.28TaS 2 was attributed to the deviation of the Fe concentration from commensurate values (x = 1/4 or 1/3), which caused magnetic moment misalignments. Here we report a study of Fe xTaS 2 crystals with 0:23 ≤ x ≤ 0:35, demonstrating that crystallographic defects lead to spin disorder, which correlates with magneto-transport properties such as switching magnetic fi eld HS, magnetoresistance MR, and even zero-field resistivity ρ0 and temperature coefficient A in ρ(T) = ρ 0 + AT 2: The ordering temperature T C andmore » Weiss temperature θ W are maximized at the superstructure composition x = 1/4, while H s, MR, ρ 0, and A are minimum. Conversely, at a composition intermediate between the superstructure compositions x = 1/4 and 1/3, the corresponding magneto-transport properties reach local maxima.« less

A first-principles study of As doping at a disordered Si-SiO2 interface.

PubMed

Corsetti, Fabiano; Mostofi, Arash A

2014-02-05

Understanding the interaction between dopants and semiconductor-oxide interfaces is an increasingly important concern in the drive to further miniaturize modern transistors. To this end, using a combination of first-principles density-functional theory and a continuous random network Monte Carlo method, we investigate electrically active arsenic donors at the interface between silicon and its oxide. Using a realistic model of the disordered interface, we find that a small percentage (on the order of ∼10%) of the atomic sites in the first few monolayers on the silicon side of the interface are energetically favourable for segregation, and that this is controlled by the local bonding and local strain of the defect centre. We also find that there is a long-range quantum confinement effect due to the interface, which results in an energy barrier for dopant segregation, but that this barrier is small in comparison to the effect of the local environment. Finally, we consider the extent to which the energetics of segregation can be controlled by the application of strain to the interface.

Topological defects in extended inflation

NASA Technical Reports Server (NTRS)

Copeland, Edmund J.; Kolb, Edward W.; Liddle, Andrew R.

1990-01-01

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

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

NASA Astrophysics Data System (ADS)

Jiang, Bo; Selbach, Sverre M.

2017-06-01

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

Local and average structure of Mn- and La-substituted BiFeO 3

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

Jiang, Bo; Selbach, Sverre M.

2017-06-01

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

The Drosophila DOCK family protein Sponge is required for development of the air sac primordium

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

Morishita, Kazushge; Anh Suong, Dang Ngoc; Yoshida, Hideki

Dedicator of cytokinesis (DOCK) family genes are known as DOCK1-DOCK11 in mammals. DOCK family proteins mainly regulate actin filament polymerization and/or depolymerization and are GEF proteins, which contribute to cellular signaling events by activating small G proteins. Sponge (Spg) is a Drosophila counterpart to mammalian DOCK3/DOCK4, and plays a role in embryonic central nervous system development, R7 photoreceptor cell differentiation, and adult thorax development. In order to conduct further functional analyses on Spg in vivo, we examined its localization in third instar larval wing imaginal discs. Immunostaining with purified anti-Spg IgG revealed that Spg mainly localized in the air sacmore » primordium (ASP) in wing imaginal discs. Spg is therefore predicted to play an important role in the ASP. The specific knockdown of Spg by the breathless-GAL4 driver in tracheal cells induced lethality accompanied with a defect in ASP development and the induction of apoptosis. The monitoring of ERK signaling activity in wing imaginal discs by immunostaining with anti-diphospho-ERK IgG revealed reductions in the ERK signal cascade in Spg knockdown clones. Furthermore, the overexpression of D-raf suppressed defects in survival and the proliferation of cells in the ASP induced by the knockdown of Spg. Collectively, these results indicate that Spg plays a critical role in ASP development and tracheal cell viability that is mediated by the ERK signaling pathway. - Highlights: • Spg mainly localizes in the air sac primordium in wing imaginal discs. • Spg plays a critical role in air sac primordium development. • Spg positively regulates the ERK signal cascade.« less

[Prefabrication of bone transplants].

PubMed

Jagodzinski, M; Kokemüller, H; Jehn, P; Vogt, P; Gellrich, N-C; Krettek, C

2015-03-01

Prefabrication of bone transplants is a promising option for large defects of the long bones, especially if there is compromised vascularization of the defect. This is especially true for postinfection bone defects and other types of atrophic nonunion. The generation of a foreign body membrane (Masquelet's technique) has been investigated in order to ameliorate the response of the host tissue surrounding the defect. In an experimental animal study, a blood vessel within a bone construct could be used to generate customized, vascularized osteogenic constructs that can be used to treat large bone defects in the future.

Magnetorheological finishing for removing surface and subsurface defects of fused silica optics

NASA Astrophysics Data System (ADS)

Catrin, Rodolphe; Neauport, Jerome; Taroux, Daniel; Cormont, Philippe; Maunier, Cedric; Lambert, Sebastien

2014-09-01

We investigate the capacity of magnetorheological finishing (MRF) process to remove surface and subsurface defects of fused silica optics. Polished samples with engineered surface and subsurface defects were manufactured and characterized. Uniform material removals were performed with a QED Q22-XE machine using different MRF process parameters in order to remove these defects. We provide evidence that whatever the MRF process parameters are, MRF is able to remove surface and subsurface defects. Moreover, we show that MRF induces a pollution of the glass interface similar to conventional polishing processes.

Non-resonant excitation of rare-earth ions via virtual Auger process

NASA Astrophysics Data System (ADS)

Yassievich, I. N.

2011-05-01

The luminescence of rare-earth ions (REI) is often intensified by defects associated with REIs or excitons bound to these defects. In this paper we show that the presence of such a state opens the possibility of non-resonance optical pumping via the process involving virtual Auger transition. It is the second order perturbation process when an electron arrives in an virtual intermediate state due to the optical transition (the first step) and the Auger transition is the second one. We have calculated the cross-section of such an excitation process when the optical transition is accompanied by creation of the exciton bound to the defect associated with REI and obtained a simple analytical expression for the cross-section. The excess energy of the excitation quanta is taken away by multiphonon emission. The electron-phonon interaction with local phonon vibrations of the bound exciton is assumed to determine the multiphonon process. It is shown that the probability of the process under study exceeds considerably the probability of direct optical 4f-4f absorption even in the case when the energy distance between the excitation quantum energy and the exciton energy is about 0.1 of the exciton energy. The excitation mechanism considered leads to the appearance of a broad unsymmetrical band in the excitation spectrum with the red side much wider and flatter than the blue one.

Room temperature ferromagnetism in liquid-phase pulsed laser ablation synthesized nanoparticles of nonmagnetic oxides

NASA Astrophysics Data System (ADS)

Singh, S. C.; Kotnala, R. K.; Gopal, R.

2015-08-01

Intrinsic Room Temperature Ferromagnetism (RTF) has been observed in undoped/uncapped zinc oxide and titanium dioxide spherical nanoparticles (NPs) obtained by a purely green approach of liquid phase pulsed laser ablation of corresponding metal targets in pure water. Saturation magnetization values observed for zinc oxide (average size, 9 ± 1.2 nm) and titanium dioxide (average size, 4.4 ± 0.3 nm) NPs are 62.37 and 42.17 memu/g, respectively, which are several orders of magnitude larger than those of previous reports. In contrast to the previous works, no postprocessing treatments or surface modification is required to induce ferromagnetism in the case of present communication. The most important result, related to the field of intrinsic ferromagnetism in nonmagnetic materials, is the observation of size dependent ferromagnetism. Degree of ferromagnetism in titanium dioxide increases with the increase in particle size, while it is reverse for zinc oxide. Surface and volume defects play significant roles for the origin of RTF in zinc oxide and titanium dioxide NPs, respectively. Single ionized oxygen and neutral zinc vacancies in zinc oxide and oxygen and neutral/ionized titanium vacancies in titanium dioxide are considered as predominant defect centres responsible for observed ferromagnetism. It is expected that origin of ferromagnetism is a consequence of exchange interactions between localized electron spin moments resulting from point defects.

Room temperature ferromagnetism in liquid-phase pulsed laser ablation synthesized nanoparticles of nonmagnetic oxides

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

Singh, S. C., E-mail: subhash.laserlab@gmail.com; Gopal, R.; Kotnala, R. K.

2015-08-14

Intrinsic Room Temperature Ferromagnetism (RTF) has been observed in undoped/uncapped zinc oxide and titanium dioxide spherical nanoparticles (NPs) obtained by a purely green approach of liquid phase pulsed laser ablation of corresponding metal targets in pure water. Saturation magnetization values observed for zinc oxide (average size, 9 ± 1.2 nm) and titanium dioxide (average size, 4.4 ± 0.3 nm) NPs are 62.37 and 42.17 memu/g, respectively, which are several orders of magnitude larger than those of previous reports. In contrast to the previous works, no postprocessing treatments or surface modification is required to induce ferromagnetism in the case of present communication. The most important result, relatedmore » to the field of intrinsic ferromagnetism in nonmagnetic materials, is the observation of size dependent ferromagnetism. Degree of ferromagnetism in titanium dioxide increases with the increase in particle size, while it is reverse for zinc oxide. Surface and volume defects play significant roles for the origin of RTF in zinc oxide and titanium dioxide NPs, respectively. Single ionized oxygen and neutral zinc vacancies in zinc oxide and oxygen and neutral/ionized titanium vacancies in titanium dioxide are considered as predominant defect centres responsible for observed ferromagnetism. It is expected that origin of ferromagnetism is a consequence of exchange interactions between localized electron spin moments resulting from point defects.« less

Hysteretic photochromic switching of Eu-Mg defects in GaN links the shallow transient and deep ground states of the Mg acceptor.

PubMed

Singh, A K; O'Donnell, K P; Edwards, P R; Lorenz, K; Kappers, M J; Boćkowski, M

2017-02-03

Although p-type activation of GaN by Mg underpins a mature commercial technology, the nature of the Mg acceptor in GaN is still controversial. Here, we use implanted Eu as a 'spectator ion' to probe the lattice location of Mg in doubly doped GaN(Mg):Eu. Photoluminescence spectroscopy of this material exemplifies hysteretic photochromic switching (HPS) between two configurations, Eu0 and Eu1(Mg), of the same Eu-Mg defect, with a hyperbolic time dependence on 'switchdown' from Eu0 to Eu1(Mg). The sample temperature and the incident light intensity at 355 nm tune the characteristic switching time over several orders of magnitude, from less than a second at 12.5 K, ~100 mW/cm 2 to (an estimated) several hours at 50 K, 1 mW/cm 2 . Linking the distinct Eu-Mg defect configurations with the shallow transient and deep ground states of the Mg acceptor in the Lany-Zunger model, we determine the energy barrier between the states to be 27.7(4) meV, in good agreement with the predictions of theory. The experimental results further suggest that at low temperatures holes in deep ground states are localized on N atoms axially bonded to Mg acceptors.

Scalp Defect Reconstruction with Triple Rotation Flap: A Case Report.

PubMed

Shilpa, Kanathur; Divya, Gorur; Budamakuntla, Leelavathy; Lakshmi, Dammaningala Venkataramaiah

2018-01-01

Scalp surgeries are some of the surgeries frequently performed in dermatosurgery department. These surgical procedures may leave large defects, especially when performed for malignant condition in which wide margin has to be excised. Such large defects are difficult to close primarily when reconstruction with local flap is essential. Here we report a case of epithelioid angiosarcoma of the scalp in a 24-year-old man where excision and reconstruction were performed using triple rotation flap.

Fracture Mechanics Analyses of Subsurface Defects in Reinforced Carbon-Carbon Joggles Subjected to Thermo-Mechanical Loads

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Raju, Ivatury S.; Song, Kyongchan

2011-01-01

Coating spallation events have been observed along the slip-side joggle region of the Space Shuttle Orbiter wing-leading-edge panels. One potential contributor to the spallation event is a pressure build up within subsurface voids or defects due to volatiles or water vapor entrapped during fabrication, refurbishment, or normal operational use. The influence of entrapped pressure on the thermo-mechanical fracture-mechanics response of reinforced carbon-carbon with subsurface defects is studied. Plane-strain simulations with embedded subsurface defects are performed to characterize the fracture mechanics response for a given defect length when subjected to combined elevated-temperature and subsurface-defect pressure loadings to simulate the unvented defect condition. Various subsurface defect locations of a fixed-length substrate defect are examined for elevated temperature conditions. Fracture mechanics results suggest that entrapped pressure combined with local elevated temperatures have the potential to cause subsurface defect growth and possibly contribute to further material separation or even spallation. For this anomaly to occur, several unusual circumstances would be required making such an outcome unlikely but plausible.

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS2 Films.

PubMed

Precner, M; Polaković, T; Qiao, Qiao; Trainer, D J; Putilov, A V; Di Giorgio, C; Cone, I; Zhu, Y; Xi, X X; Iavarone, M; Karapetrov, G

2018-04-30

We report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the work function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2 . Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2 -based integrated electronics and indicate the importance of defect control and layer passivation.

Emergence and robustness of target waves in a neuronal network

NASA Astrophysics Data System (ADS)

Xu, Ying; Jin, Wuyin; Ma, Jun

2015-08-01

Target waves in excitable media such as neuronal network can regulate the spatial distribution and orderliness as a continuous pacemaker. Three different schemes are used to develop stable target wave in the network, and the potential mechanism for emergence of target waves in the excitable media is investigated. For example, a local pacing driven by external periodical forcing can generate stable target wave in the excitable media, furthermore, heterogeneity and local feedback under self-feedback coupling are also effective to generate continuous target wave as well. To discern the difference of these target waves, a statistical synchronization factor is defined by using mean field theory and artificial defects are introduced into the network to block the target wave, thus the robustness of these target waves could be detected. However, these target waves developed from the above mentioned schemes show different robustness to the blocking from artificial defects. A regular network of Hindmarsh-Rose neurons is designed in a two-dimensional square array, target waves are induced by using three different ways, and then some artificial defects, which are associated with anatomical defects, are set in the network to detect the effect of defects blocking on the travelling waves. It confirms that the robustness of target waves to defects blocking depends on the intrinsic properties (ways to generate target wave) of target waves.

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS 2 Films

DOE PAGES

Precner, Marian; Polakovic, T.; Qiao, Qiao; ...

2018-04-30

Here, we report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the workmore » function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2. Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2-based integrated electronics and indicate the importance of defect control and layer passivation.« less

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS 2 Films

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

Precner, Marian; Polakovic, T.; Qiao, Qiao

Here, we report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the workmore » function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2. Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2-based integrated electronics and indicate the importance of defect control and layer passivation.« less

Domain structure, localization, and function of DNA polymerase η, defective in xeroderma pigmentosum variant cells

PubMed Central

Kannouche, Patricia; Broughton, Bernard C.; Volker, Marcel; Hanaoka, Fumio; Mullenders, Leon H.F.; Lehmann, Alan R.

2001-01-01

DNA polymerase η carries out translesion synthesis past UV photoproducts and is deficient in xeroderma pigmentosum (XP) variants. We report that polη is mostly localized uniformly in the nucleus but is associated with replication foci during S phase. Following treatment of cells with UV irradiation or carcinogens, it accumulates at replication foci stalled at DNA damage. The C-terminal third of polη is not required for polymerase activity. However, the C-terminal 70 aa are needed for nuclear localization and a further 50 aa for relocalization into foci. Polη truncations lacking these domains fail to correct the defects in XP-variant cells. Furthermore, we have identified mutations in two XP variant patients that leave the polymerase motifs intact but cause loss of the localization domains. PMID:11157773

Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

NASA Astrophysics Data System (ADS)

Pedersen, Andreas; Pizzagalli, Laurent; Jónsson, Hannes

2017-06-01

Atomic structure of amorphous silicon consistent with several reported experimental measurements has been obtained from annealing simulations using electron density functional theory calculations and a systematic removal of weakly bound atoms. The excess energy and density with respect to the crystal are well reproduced in addition to radial distribution function, angular distribution functions, and vibrational density of states. No atom in the optimal configuration is locally in a crystalline environment as deduced by ring analysis and common neighbor analysis, but coordination defects are present at a level of 1%-2%. The simulated samples provide structural models of this archetypal disordered covalent material without preconceived notion of the atomic ordering or fitting to experimental data.

Etude des defauts apparaissant dans les amenagements interieurs des avions d'affaires

NASA Astrophysics Data System (ADS)

Charette, Emilie

The evolution of the aeronautic industry led to the development of new materials for these high performance applications. Among other examples, composite sandwich structures are increasingly used for interior body panels of business airplanes. These structures are assembled and fixed to the fuselage using metallic inserts bonded inside the sandwich panels with an epoxy resin adhesive. A thin film of wood veneer covers the visible side of interior furniture in order to bring sophistication and esthetic to the interior design. However, due to multiple factors, surface defects frequently appear on the veneered side of the panel where inserts are located. Moreover the defects tend to appear months after the airplane delivery causing costly reparations. The sources of defects can be mechanical ( deformation due to an excessive tightening), chemical (shrinkage of the epoxy adhesive) or the result of hygrothermal exposition. It is therefore important to understand the source of such surface defects and ultimately prevent or control their appearance. The present thesis deals with defects from chemical and hygrothermal sources appearing on the composite panels used on the interior body of business jets after aging. The main objective was to identify and quantify phenomena causing the defects on the interior panels of business planes. This research project is the first part of a project sponsored by CRIAQ and NSERC. The interaction of several materials can lead to various phenomena causing the apparition of surface defects. The project was thus divided into three parts in order to study an increasingly complex problem. the first study deals with the characterization of the different constitutive materials taken separately. This first part focused on thermal, rheological and mechanical aspects of epoxy adhesives. It was shown that the two adhesives used have different mechanical properties and cure kinetic reactions. In addition, the mechanical properties of sandwich composites panels were studied. The second study focused on the analysis of hygrothermal influence on the adhesive and the composite sandwich panels taken separately. Humidity and temperature can have an important effect on the constitutive materials, it is therefore important to know their influence. Finally, the third part deals with the influence of hygrothermal aging on a structure combining all the different materials. Sample panels including fixing zones (insert and resin) were made at the industrial partner's facility according to the industrial procedure. Subsequently, the samples have undergone an accelerated aging. By using deflectometry system, changes in local curvatures with respect to the aging conditions were observed. A correlation between the material characterization results, the aging effects and the surface defect gravity was performed to evaluate the sources and the occurrence of defects. Recommendations have also been made to ensure the project continuity. This project, carried out in an industrial context with the collaboration of Centre de Recherche Industrielle du Quebec ( CRIQ), 3M Canada and the Chaire de recherche sur les composites hautes performances (CCHP) of the department of mechanical engineering of Ecole Polytechnique de Montreal, highlights the importance of the choice of methods and materials in the manufacturing of composite structures.

DEFECTIVE TRAFFICKING OF CONE PHOTORECEPTOR CNG CHANNELS INDUCES THE UNFOLDED PROTEIN RESPONSE AND ER STRESS-ASSOCIATED CELL DEATH

PubMed Central

Duricka, Deborah L.; Brown, R. Lane; Varnum, Michael D.

2011-01-01

SYNOPSIS Mutations that perturb the function of photoreceptor cyclic nucleotide-gated (CNG) channels are associated with several human retinal disorders, but the molecular and cellular mechanisms leading to photoreceptor dysfunction and degeneration remain unclear. Many loss-of-function mutations result in intracellular accumulation of CNG channel subunits. Accumulation of proteins in the endoplasmic reticulum (ER) is known to cause ER stress and trigger the unfolded protein response (UPR), an evolutionarily conserved cellular program that results in either adaptation via increased protein processing capacity or apoptotic cell death. We hypothesize that defective trafficking of cone photoreceptor CNG channels can induce UPR-mediated cell death. To test this idea, CNGA3 subunits bearing the R563H and Q655X mutations were expressed in photoreceptor-derived 661W cells with CNGB3 subunits. Compared to wild type, R563H and Q655X subunits displayed altered degradation rates and/or were retained in the ER. ER retention was associated with increased expression of UPR-related markers of ER stress and with decreased cell viability. Chemical and pharmacological chaperones (TUDCA, 4PBA, and the cGMP analog CPT-cGMP) differentially reduced degradation and/or promoted plasma-membrane localization of defective subunits. Improved subunit maturation was concordant with reduced expression of ER stress markers and improved viability of cells expressing localization-defective channels. These results indicate that ER stress can arise from expression of localization defective CNG channels, and may represent a contributing factor for photoreceptor degeneration. PMID:21992067

Defective trafficking of cone photoreceptor CNG channels induces the unfolded protein response and ER-stress-associated cell death.

PubMed

Duricka, Deborah L; Brown, R Lane; Varnum, Michael D

2012-01-15

Mutations that perturb the function of photoreceptor CNG (cyclic nucleotide-gated) channels are associated with several human retinal disorders, but the molecular and cellular mechanisms leading to photoreceptor dysfunction and degeneration remain unclear. Many loss-of-function mutations result in intracellular accumulation of CNG channel subunits. Accumulation of proteins in the ER (endoplasmic reticulum) is known to cause ER stress and trigger the UPR (unfolded protein response), an evolutionarily conserved cellular programme that results in either adaptation via increased protein processing capacity or apoptotic cell death. We hypothesize that defective trafficking of cone photoreceptor CNG channels can induce UPR-mediated cell death. To test this idea, CNGA3 subunits bearing the R563H and Q655X mutations were expressed in photoreceptor-derived 661W cells with CNGB3 subunits. Compared with wild-type, R563H and Q655X subunits displayed altered degradation rates and/or were retained in the ER. ER retention was associated with increased expression of UPR-related markers of ER stress and with decreased cell viability. Chemical and pharmacological chaperones {TUDCA (tauroursodeoxycholate sodium salt), 4-PBA (sodium 4-phenylbutyrate) and the cGMP analogue CPT-cGMP [8-(4-chlorophenylthio)-cGMP]} differentially reduced degradation and/or promoted plasma-membrane localization of defective subunits. Improved subunit maturation was concordant with reduced expression of ER-stress markers and improved viability of cells expressing localization-defective channels. These results indicate that ER stress can arise from expression of localization-defective CNG channels, and may represent a contributing factor for photoreceptor degeneration.

Mechanical properties of highly defective graphene: from brittle rupture to ductile fracture.

PubMed

Xu, Lanqing; Wei, Ning; Zheng, Yongping

2013-12-20

Defects are generally believed to deteriorate the superlative performance of graphene-based devices but may also be useful when carefully engineered to tailor the local properties and achieve new functionalities. Central to most defect-associated applications is the defect coverage and arrangement. In this work, we investigate, by molecular dynamics simulations, the mechanical properties and fracture dynamics of graphene sheets with randomly distributed vacancies or Stone-Wales defects under tensile deformations over a wide defect coverage range. With defects presented, an sp-sp(2) bonding network and an sp-sp(2)-sp(3) bonding network are observed in vacancy-defected and Stone-Wales-defected graphene, respectively. The ultimate strength degrades gradually with increasing defect coverage and saturates in the high-ratio regime, whereas the fracture strain presents an unusual descending-saturating-improving trend. In the dense vacancy defect situation, the fracture becomes more plastic and super-ductility is observed. Further fracture dynamics analysis reveals that the crack trapping by sp-sp(2) and sp-sp(2)-sp(3) rings and the crack-tip blunting account for the ductile fracture, whereas geometric rearrangement on the entire sheet for vacancy defects and geometric rearrangement on the specific defect sites for Stone-Wales defects account for their distinctive rules of the evolution of the fracture strain.

Research on defects inspection of solder balls based on eddy current pulsed thermography.

PubMed

Zhou, Xiuyun; Zhou, Jinlong; Tian, Guiyun; Wang, Yizhe

2015-10-13

In order to solve tiny defect detection for solder balls in high-density flip-chip, this paper proposed feasibility study on the effect of detectability as well as classification based on eddy current pulsed thermography (ECPT). Specifically, numerical analysis of 3D finite element inductive heat model is generated to investigate disturbance on the temperature field for different kind of defects such as cracks, voids, etc. The temperature variation between defective and non-defective solder balls is monitored for defects identification and classification. Finally, experimental study is carried on the diameter 1mm tiny solder balls by using ECPT and verify the efficacy of the technique.

Portable Handheld Optical Window Inspection Device

NASA Technical Reports Server (NTRS)

Ihlefeld, Curtis; Dokos, Adam; Burns, Bradley

2010-01-01

The Portable Handheld Optical Window Inspection Device (PHOWID) is a measurement system for imaging small defects (scratches, pits, micrometeor impacts, and the like) in the field. Designed primarily for window inspection, PHOWID attaches to a smooth surface with suction cups, and raster scans a small area with an optical pen in order to provide a three-dimensional image of the defect. PHOWID consists of a graphical user interface, motor control subsystem, scanning head, and interface electronics, as well as an integrated camera and user display that allows a user to locate minute defects before scanning. Noise levels are on the order of 60 in. (1.5 m). PHOWID allows field measurement of defects that are usually done in the lab. It is small, light, and attaches directly to the test article in any orientation up to vertical. An operator can scan a defect and get useful engineering data in a matter of minutes. There is no need to make a mold impression for later lab analysis.

Study on the intrinsic defects in tin oxide with first-principles method

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Tingyu; Chang, Qiuxiang; Ma, Changmin

2018-04-01

First-principles and thermodynamic methods are used to study the contribution of vibrational entropy to defect formation energy and the stability of the intrinsic point defects in SnO2 crystal. According to thermodynamic calculation results, the contribution of vibrational entropy to defect formation energy is significant and should not be neglected, especially at high temperatures. The calculated results indicate that the oxygen vacancy is the major point defect in undoped SnO2 crystal, which has a higher concentration than that of the other point defect. The property of negative-U is put forward in SnO2 crystal. In order to determine the most stable defects much clearer under different conditions, the most stable intrinsic defect as a function of Fermi level, oxygen partial pressure and temperature are described in the three-dimensional defect formation enthalpy diagrams. The diagram visually provides the most stable point defects under different conditions.

Closure of the Radial Forearm Free Flap Donor Site Using the Combined Local Triangular Full-Thickness Skin Graft.

PubMed

Moreno-Sánchez, Manuel; González-García, Raúl; Ruiz-Laza, Luis; Manzano Solo de Zaldívar, Damián; Moreno-García, Carlos; Monje, Florencio

2016-01-01

Traditional donor-site closure has been associated with serious esthetic and functional morbidity. The purpose of this study was to assess morbidity in esthetics and function and measure the postoperative complications of the radial forearm free flap (RFFF) donor site after using combined local triangular full-thickness skin grafting. This prospective study of patients who underwent reconstruction of head and neck defects using an RFFF was conducted from July 2008 through December 2014. The donor site was repaired with a combined local triangular full-thickness skin graft. Quality of the scar, color match, tendon exposure, presence of necrosis, dehiscence of the suture, and presence of dysesthesia were recorded and analyzed using SPSS 21.0 software. One hundred consecutive patients (71 male and 29 female) underwent RFFF harvesting. RFFF donor-site defects ranged from 15 to 70 cm2; partial skin graft loss occurred in 7% of patients. Five patients (5%) had small dehiscences of the forearm skin graft, and 2 cases (2%) presented tendon exposure. In all cases, these sites healed secondarily by conservative management, with no final impairment of function. Esthetic results were considered excellent in 87%, good in 11%, and suboptimal in 2% of the cases. The combined local triangular full-thickness skin graft is a reliable method for closing RFFF donor-site defects because it obviates a second surgical site, it provides excellent color match and pliability, and it can be used for covering large defects of the donor site. Copyright © 2016 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

The trapezius perforator flap: an underused but versatile option in the reconstruction of local and distant soft-tissue defects.

PubMed

Sadigh, Parviz L; Chang, Li-Ren; Hsieh, Ching-Hua; Feng, Wen-Jui; Jeng, Seng-Feng

2014-09-01

The trapezius myocutaneous flap is an established reconstructive option in head and neck cases The authors present their experience with 10 trapezius perforator flaps, all raised using a freestyle technique of perforator dissection, to successfully reconstruct both local and distant soft-tissue defects. Ten patients underwent soft-tissue reconstruction using trapezius perforator flaps. After mapping the perforator with a handheld Doppler device at the intersection of a horizontal line drawn 6 to 8 cm inferior to the scapular spine and a vertical line drawn 8 to 9 cm lateral to the midline of the back, perforator flaps were raised in a freestyle fashion, with complete preservation of the trapezius muscle. The flap can be pedicled into local defects or transferred as a free flap. Six flaps were elevated as pedicled flaps and four were transferred as free flaps. Flap size ranged from 6 × 4 cm to 25 × 15 cm. The pedicle length ranged from 4 to 14 cm. The pedicle originated from the dorsal scapular artery. In one case, the authors converted from a pedicled flap to a free flap secondary to insufficient pedicle length. All donor sites were closed directly. The follow-up period ranged from 4 months to 4 years. All of the flaps survived completely with no major complications, and no patients developed any shoulder dysfunction. The trapezius perforator flap is a reliable and versatile reconstructive option that can be used to repair both local and distant soft-tissue defects. The donor-site morbidity is minimal. Therapeutic, IV.

Atomistic simulation of the trapping capability of He-vacancy defects at Ni {\\sum}^{}3\\left(1\\bar{1}2\\right)[110] grain boundary

NASA Astrophysics Data System (ADS)

Gong, Hengfeng; Wang, Chengbin; Zhang, Wei; Huai, Ping; Lu, Wei; Zhu, Zhiyuan

2016-12-01

He atoms tend to cluster and precipitate into bubbles that prefer to grow in the grain boundaries, resulting in high temperature He embrittlement with significantly degraded material properties. This is a major bottleneck in employing Ni-based alloys for applications such as molten salt reactors (MSRs). This paper focuses on understanding how the local grain boundary structure interacts with He atoms and how the local atomistic environment in the grain boundary influences the binding energy of He defects. Using molecular dynamics simulations, we have investigated the trapping capability of the Ni {\\sum}3≤ft(1 \\bar{1} 2\\right)≤ft[1 1 0\\right] grain boundary to He defects (He N ) and to He-vacancy defects (He N V M ). The two defects in the Ni grain boundary exhibit geometries with high symmetry. The binding energy of an interstitial He atom to He N V M defects is found to be generally larger in pure Ni than that in the grain boundary. We compared the binding energy of He N defects to the Ni vacancy and to the Ni grain boundary, finding that the Ni vacancy possesses a higher trapping strength to He N . We also found that the binding strength of He N to the grain boundary is stronger than that of He N V M to the grain boundary. The He-vacancy ratio in He N V M defects does not significantly affect the binding energy in the grain boundary plane. The current work will provide insight in understanding the experimentally observed He bubble formation in Ni-based alloys and bridge atomic scale events and damage with macroscopic failure.

Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7-δ thin films

NASA Astrophysics Data System (ADS)

Molina-Luna, Leopoldo; Duerrschnabel, Michael; Turner, Stuart; Erbe, Manuela; Martinez, Gerardo T.; Van Aert, Sandra; Holzapfel, Bernhard; Van Tendeloo, Gustaaf

2015-11-01

Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7-δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm-2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (˜1.5 nm) and the determination of 0.25 nm dislocation cores.

A Baseline-Free Defect Imaging Technique in Plates Using Time Reversal of Lamb Waves

NASA Astrophysics Data System (ADS)

Hyunjo, Jeong; Sungjong, Cho; Wei, Wei

2011-06-01

We present 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 imaging of a defect.

Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques

NASA Astrophysics Data System (ADS)

Singh, Shashi B.; Wang, Yu-Fu; Shao, Yu-Cheng; Lai, Hsuan-Yu; Hsieh, Shang-Hsien; Limaye, Mukta V.; Chuang, Chen-Hao; Hsueh, Hung-Chung; Wang, Hsaiotsu; Chiou, Jau-Wern; Tsai, Hung-Ming; Pao, Chih-Wen; Chen, Chia-Hao; Lin, Hong-Ji; Lee, Jyh-Fu; Wu, Chun-Te; Wu, Jih-Jen; Pong, Way-Faung; Ohigashi, Takuji; Kosugi, Nobuhiro; Wang, Jian; Zhou, Jigang; Regier, Tom; Sham, Tsun-Kong

2014-07-01

Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO.Efforts have been made to elucidate the origin of d0 magnetism in ZnO nanocactuses (NCs) and nanowires (NWs) using X-ray-based microscopic and spectroscopic techniques. The photoluminescence and O K-edge and Zn L3,2-edge X-ray-excited optical luminescence spectra showed that ZnO NCs contain more defects than NWs do and that in ZnO NCs, more defects are present at the O sites than at the Zn sites. Specifically, the results of O K-edge scanning transmission X-ray microscopy (STXM) and the corresponding X-ray-absorption near-edge structure (XANES) spectroscopy demonstrated that the impurity (non-stoichiometric) region in ZnO NCs contains a greater defect population than the thick region. The intensity of O K-edge STXM-XANES in the impurity region is more predominant in ZnO NCs than in NWs. The increase in the unoccupied (occupied) density of states at/above (at/below) the conduction-band minimum (valence-band maximum) or the Fermi level is related to the population of defects at the O sites, as revealed by comparing the ZnO NCs to the NWs. The results of O K-edge and Zn L3,2-edge X-ray magnetic circular dichroism demonstrated that the origin of magnetization is attributable to the O 2p orbitals rather than the Zn d orbitals. Further, the local density approximation (LDA) + U verified that vacancies in the form of dangling or unpaired 2p states (due to Zn vacancies) induced a significant local spin moment in the nearest-neighboring O atoms to the defect center, which was determined from the uneven local spin density by analyzing the partial density of states of O 2p in ZnO. Electronic supplementary information (ESI) available: Scanning photoelectron microscopy (SPEM) results of ZnO NCs and NWs. Computational details and calculated total and partial density of states (PDOS) of bulk wurtzite ZnO with oxygen anion vacancies (VO). See DOI: 10.1039/c4nr01961j

Local 4/5-law and energy dissipation anomaly in turbulence of incompressible MHD Equations

NASA Astrophysics Data System (ADS)

Guo, Shanshan; Tan, Zhong

2016-12-01

In this paper, we establish the longitudinal and transverse local energy balance equation of distributional solutions of the incompressible three-dimensional MHD equations. In particular, we find that the functions D_L^ɛ (u,B) and D_T^ɛ (u,B) appeared in the energy balance, all converging to the defect distribution (in the sense of distributions) D(u,B) which has been defined in Gao et al. (Acta Math Sci 33:865-871, 2013). Furthermore, we give a simpler form of defect distribution term, which is similar to the relation in turbulence theory, called the "4 / 3-law." As a corollary, we give the analogous "4 / 5-law" holds in the local sense.

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

DOE PAGES

Furrer, A.; Podlesnyak, A.; Krämer, K. W.; ...

2014-10-29

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn xMg 1-xBr 3, K 2Mn xZn 1-xF 4, and KMn xZn 1-xF 3 (x≤0.10), respectively. The transitions from the ground-state singlet to the excited triplet, split into a doublet and a singlet due to the single-ion anisotropy, exhibit remarkable fine structures. These unusual features are attributed to local structural inhomogeneities induced by the dopant Mn atoms which act like lattice defects. Statistical models support the theoretically predicted decay of atomic displacements according to 1/r 2, 1/r, and constant (for three-,more » two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. In conclusion, the observed fine structures allow a direct determination of the local exchange interactions J, and the local intradimer distances R can be derived through the linear law dJ/dR.« less

Quantum transitions driven by one-bond defects in quantum Ising rings.

PubMed

Campostrini, Massimo; Pelissetto, Andrea; Vicari, Ettore

2015-04-01

We investigate quantum scaling phenomena driven by lower-dimensional defects in quantum Ising-like models. We consider quantum Ising rings in the presence of a bond defect. In the ordered phase, the system undergoes a quantum transition driven by the bond defect between a magnet phase, in which the gap decreases exponentially with increasing size, and a kink phase, in which the gap decreases instead with a power of the size. Close to the transition, the system shows a universal scaling behavior, which we characterize by computing, either analytically or numerically, scaling functions for the low-level energy differences and the two-point correlation function. We discuss the implications of these results for the nonequilibrium dynamics in the presence of a slowly varying parallel magnetic field h, when going across the first-order quantum transition at h=0.

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).

Mutations of amino acids in the DNA-recognition domain of Epstein-Barr virus ZEBRA protein alter its sub-nuclear localization and affect formation of replication compartments

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

Park, Richard; Heston, Lee; Shedd, Duane

ZEBRA, a transcription factor and DNA replication protein encoded by the Epstein-Barr virus (EBV) BZLF1 gene, plays indispensable roles in the EBV lytic cycle. We recently described the phenotypes of 46 single amino acid substitutions introduced into the DNA-recognition region of ZEBRA [Heston, L., El-Guindy, A., Countryman, J., Dela Cruz, C., Delecluse, H.J., and Miller, G. 2006]. The 27 DNA-binding-proficient mutants exhibited distinct defects in their ability to activate expression of the kinetic classes of viral genes. Four phenotypic variants could be discerned: wild-type, defective at activating Rta, defective at activating early genes, and defective at activating late genes. Heremore » we analyze the distribution of ZEBRA within the nucleus and the localization of EA-D (the viral DNA polymerase processivity factor), an indicator of the development of replication compartments, in representatives of each phenotypic group. Plasmids encoding wild-type (WT) and mutant ZEBRA were transfected into 293 cells containing EBV-bacmids. WT ZEBRA protein was diffusely and smoothly distributed throughout the nucleus, sparing nucleoli, and partially recruited to globular replication compartments. EA-D induced by WT ZEBRA was present diffusely in some cells and concentrated in globular replication compartments in other cells. The distribution of ZEBRA and EA-D proteins was identical to WT following transfection of K188R, a mutant with a conservative change. The distribution of S186A mutant ZEBRA protein, defective for activation of Rta and EA-D, was identical to WT, except that the mutant ZEBRA was never found in globular compartments. Co-expression of Rta with S186A mutant rescued diffuse EA-D but not globular replication compartments. The most striking observation was that several mutant ZEBRA proteins defective in activating EA-D (R179A, K181A and A185V) and defective in activating lytic viral DNA replication and late genes (Y180E and K188A) were localized to numerous punctate foci. The speckled appearance of R179A and Y180E was more regular and clearly defined in EBV-positive than in EBV-negative 293 cells. The Y180E late-mutant induced EA-D, but prevented EA-D from localizing to globular replication compartments. These results show that individual amino acids within the basic domain influence localization of the ZEBRA protein and its capacity to induce EA-D to become located in mature viral replication compartments. Furthermore, these mutant ZEBRA proteins delineate several stages in the processes of nuclear re-organization which accompany lytic EBV replication.« less

Three-dimensional characterization of extreme ultraviolet mask blank defects by interference contrast photoemission electron microscopy.

PubMed

Lin, Jingquan; Weber, Nils; Escher, Matthias; Maul, Jochen; Han, Hak-Seung; Merkel, Michael; Wurm, Stefan; Schönhense, Gerd; Kleineberg, Ulf

2008-09-29

A photoemission electron microscope based on a new contrast mechanism "interference contrast" is applied to characterize extreme ultraviolet lithography mask blank defects. Inspection results show that positioning of interference destructive condition (node of standing wave field) on surface of multilayer in the local region of a phase defect is necessary to obtain best visibility of the defect on mask blank. A comparative experiment reveals superiority of the interference contrast photoemission electron microscope (Extreme UV illumination) over a topographic contrast one (UV illumination with Hg discharge lamp) in detecting extreme ultraviolet mask blank phase defects. A depth-resolved detection of a mask blank defect, either by measuring anti-node peak shift in the EUV-PEEM image under varying inspection wavelength condition or by counting interference fringes with a fixed illumination wavelength, is discussed.

Electric Field Simulation of Surge Capacitors with Typical Defects

NASA Astrophysics Data System (ADS)

Zhang, Chenmeng; Mao, Yuxiang; Xie, Shijun; Zhang, Yu

2018-03-01

The electric field of power capacitors with different typical defects in DC working condition and impulse oscillation working condition is studied in this paper. According to the type and location of defects and considering the influence of space charge, two-dimensional models of surge capacitors with different typical defects are simulated based on ANSYS. The distribution of the electric field inside the capacitor is analyzed, and the concentration of electric field and its influence on the insulation performance are obtained. The results show that the type of defects, the location of defects and the space charge all affect the electric field distribution inside the capacitor in varying degrees. Especially the electric field distortion in the local area such as sharp corners and burrs is relatively larger, which increases the probability of partial discharge inside the surge capacitor.

Defect Detection of Steel Surfaces with Global Adaptive Percentile Thresholding of Gradient Image

NASA Astrophysics Data System (ADS)

Neogi, Nirbhar; Mohanta, Dusmanta K.; Dutta, Pranab K.

2017-12-01

Steel strips are used extensively for white goods, auto bodies and other purposes where surface defects are not acceptable. On-line surface inspection systems can effectively detect and classify defects and help in taking corrective actions. For detection of defects use of gradients is very popular in highlighting and subsequently segmenting areas of interest in a surface inspection system. Most of the time, segmentation by a fixed value threshold leads to unsatisfactory results. As defects can be both very small and large in size, segmentation of a gradient image based on percentile thresholding can lead to inadequate or excessive segmentation of defective regions. A global adaptive percentile thresholding of gradient image has been formulated for blister defect and water-deposit (a pseudo defect) in steel strips. The developed method adaptively changes the percentile value used for thresholding depending on the number of pixels above some specific values of gray level of the gradient image. The method is able to segment defective regions selectively preserving the characteristics of defects irrespective of the size of the defects. The developed method performs better than Otsu method of thresholding and an adaptive thresholding method based on local properties.

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.

The Effect of High Pressure - High Temperature Treatment on Neutron Irradiation Induced Defects in Czochralski Silicon

DTIC Science & Technology

2001-01-01

Spectra by the 830cm’ Localized Vibrational Mode (LVM) band. Upon annealing , this defect is converted to the V0 2 defect responsible for a LVM band at...887cmŕ. The purpose of this work is to study the effect of various combinations of HTHP treatment prior to irradiation on the annealing behaviour of...and stacking faults. Keywords: high temperature - high pressure treatments, annealing , neutron irradiation. 1. INTRODUCTION Oxygen is one of the two

Vacancy defects in electron-irradiated ZnO studied by Doppler broadening of annihilation radiation

NASA Astrophysics Data System (ADS)

Chen, Z. Q.; Betsuyaku, K.; Kawasuso, A.

2008-03-01

Vacancy defects in ZnO induced by electron irradiation were characterized by the Doppler broadening of annihilation radiation measurements together with the local density approximation calculations. Zinc vacancies (VZn) are responsible for positron trapping in the as-irradiated state. These are annealed out below 200°C . The further annealing at 400°C results in the formation of secondary defects attributed to the complexes composed of zinc vacancies and zinc antisites (VZn-ZnO) .

Actinic defect counting statistics over 1-cm2 area of EUVL mask blank

NASA Astrophysics Data System (ADS)

Jeong, Seongtae; Lai, Chih-wei; Rekawa, Senajith; Walton, Christopher C.; Bokor, Jeffrey

2000-07-01

As a continuation of comparison experiments between EUV inspection and visible inspection of defects on EUVL mask blanks, we report on the result of an experiment where the EUV defect inspection tool is used to perform at-wavelength defect counting over 1 cm2 of EUVL mask blank. Initial EUV inspection found five defects over the scanned area and the subsequent optical scattering inspection was able to detect all of the five defects. Therefore, if there are any defects that are only detectable by EUV inspection, the density is lower than the order of unity per cm2. An upgrade path to substantially increase the overall throughput of the EUV inspection system is also identified in the manuscript.

Characterization of deep level defects and thermally stimulated depolarization phenomena in La-doped TlInS{sub 2} layered semiconductor

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

Seyidov, MirHasan Yu., E-mail: smirhasan@gyte.edu.tr; Suleymanov, Rauf A.; Mikailzade, Faik A.

2015-06-14

Lanthanum-doped high quality TlInS{sub 2} (TlInS{sub 2}:La) ferroelectric-semiconductor was characterized by photo-induced current transient spectroscopy (PICTS). Different impurity centers are resolved and identified. Analyses of the experimental data were performed in order to determine the characteristic parameters of the extrinsic and intrinsic defects. The energies and capturing cross section of deep traps were obtained by using the heating rate method. The observed changes in the Thermally Stimulated Depolarization Currents (TSDC) near the phase transition points in TlInS{sub 2}:La ferroelectric-semiconductor are interpreted as a result of self-polarization of the crystal due to the internal electric field caused by charged defects. Themore » TSDC spectra show the depolarization peaks, which are attributed to defects of dipolar origin. These peaks provide important information on the defect structure and localized energy states in TlInS{sub 2}:La. Thermal treatments of TlInS{sub 2}:La under an external electric field, which was applied at different temperatures, allowed us to identify a peak in TSDC which was originated from La-dopant. It was established that deep energy level trap BTE43, which are active at low temperature (T ≤ 156 K) and have activation energy 0.29 eV and the capture cross section 2.2 × 10{sup −14} cm{sup 2}, corresponds to the La dopant. According to the PICTS results, the deep level trap center B5 is activated in the temperature region of incommensurate (IC) phases of TlInS{sub 2}:La, having the giant static dielectric constant due to the structural disorders. From the PICTS simulation results for B5, native deep level trap having an activation energy of 0.3 eV and the capture cross section of 1.8 × 10{sup −16} cm{sup 2} were established. A substantial amount of residual space charges is trapped by the deep level localized energy states of B5 in IC-phase. While the external electric field is applied, permanent dipoles, which are originated from the charged B5 deep level defects, are aligned in the direction of the applied electric field and the equilibrium polarization can be reached in a relatively short time. When the polarization field is maintained, while cooling the temperature of sample to a sufficiently low degrees, the relaxation times of the aligned dipoles drastically increases. Practically, frozen internal electric field or electrets states remain inside the TlInS{sub 2}:La when the applied bias field is switched off. The influence of deep level defects on TSDC spectra of TlInS{sub 2}:La has been revealed for the first time.« less

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

PubMed

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

2015-04-01

The aim of this study was to investigate the influence of calcitriol on osteoinduction following local administration into mandibular bone defects. Calcitriol-loaded absorbable collagen membrane scaffolds were prepared using the polydopamine coating method and characterized by scanning electron microscopy. Composite scaffolds were implanted into rat mandibular bone defects in the following groups: no graft material (control), bare collagen membrane (CM group), collagen membrane bearing polydopamine coating (DOP/CM group), and collagen membrane bearing polydopamine coating absorbed with calcitriol (CAL/DOP/CM group). At 1, 2, 4 and 8weeks post-surgery, the osteogenic potential of calcitriol was examined by histological and immunohistochemical methods. Following in vivo implantation, calcitriol-loaded composite scaffolds underwent rapid degradation with pronounced replacement by new bone and induced reunion of the bone marrow cavity. Calcitriol showed strong potential in inhibiting osteoclastogenesis and promotion of osteogenic differentiation at weeks 1, and 2. Furthermore, statistical analysis revealed that the newly formed bone volume in the CAL/DOP/CM group was significantly higher than other groups at weeks 1, and 2. At weeks 4, and 8, the CAL/DOP/CM group showed more mineralized bone and uniform collagen structure. These data suggest that local administration of calcitriol is promising in promoting osteogenesis and mineralization for restoration of mandibular bone defects. Copyright © 2014 Elsevier B.V. All rights reserved.

Complications related to bone augmentation procedures of localized defects in the alveolar ridge. A retrospective clinical study.

PubMed

Jensen, Anders Torp; Jensen, Simon Storgård; Worsaae, Nils

2016-06-01

This retrospective clinical study aims to evaluate complications after augmentation of localized bone defects of the alveolar ridge. From standardized registrations, the following complications related to bone augmentation procedures were recorded: soft tissue dehiscence, infection, sensory disturbance, additional augmentation procedures needed, and early implant failure. A total of 223 patients (132 women, 91 men; mean age 23.5 years; range 17-65 years) with 331 bone defects had bone augmentation performed into which 350 implants were placed. Soft tissue dehiscence occurred in 1.7 % after GBR procedures, 25.9 % after staged horizontal ridge augmentation, and 18.2 % after staged vertical ridge augmentation. Infections were diagnosed in 2 % after GBR procedures, 12.5 % after sinus floor elevation (SFE) (transcrestal technique), 5 % after staged SFE, 11 % after staged horizontal ridge augmentation, and 9 % after staged vertical ridge augmentation. Additional augmentation procedures were needed in 2 % after GBR procedures, 37 % after staged horizontal ridge augmentation, and 9 % after staged vertical ridge augmentation. A total of six early implant failures occurred (1.7 %), four after GBR procedures (1.6 %), and two (12 %) after staged vertical ridge augmentation. Predictable methods exist to augment localized defects in the alveolar ridge, as documented by low complication rates and high early implant survival rates.

Investigation of Structural Re-ordering of Hydrogen Bonds in LiNbO3:Mg Crystals Around the Threshold Concentration of Magnesium

NASA Astrophysics Data System (ADS)

Sidorov, N. V.; Teplyakova, N. A.; Palatnikov, M. N.; Bobreva, L. A.

2017-09-01

Crystals of LiNbO3congr and LiNbO3:Mg (0.19-5.91 mole %) were studied by IR and Raman spectroscopy. It was found that the intensities of the bands corresponding to the stretching vibrations of the OH groups in the IR spectra of LiNbO3:Mg crystals change and components of the bands disappear with increase of the Mg content. This was explained by disappearance of the OH groups close to {Nb}_{Li}^{4+}-{V}_{Li}- defects as a result of displacement of NbLi defects by Mg cations. In the Raman spectra of the LiNbO3:Mg (5.1 mole %) compared with the congruent crystal the lines corresponding to the vibrations of oxygen atoms in the oxygen octahedra and the stretching bridge vibrations of the oxygen atoms along the polar axis become broader, and new low-intensity lines that may correspond to pseudoscalar vibrations of A2-type symmetry also appear. The broadening of the lines is due to deformation of the oxygen octahedra caused both by increase of the Mg content in the crystal structure and by change in the localization of the protons. Suppression of the photorefraction effect in the LiNbO3:Mg crystals with Mg contents above the threshold level can be explained by change in the localization of the protons in the structure and by screening of the space charge field.

Dual Functional Roles of Molecular Beacon as a MicroRNA Detector and Inhibitor*

PubMed Central

Li, Wai Ming; Chan, Ching-Man; Miller, Andrew L.; Lee, Chow H.

2017-01-01

MicroRNAs are essential in many cellular processes. The ability to detect microRNAs is important for understanding its function and biogenesis. This study is aimed at using a molecular beacon to detect miR-430 in developing zebrafish embryos as a proof of principle. miR-430 is crucial for the clearance of maternal mRNA during maternal zygotic transition in embryonic development. Despite its known function, the temporal and spatial expression of miR-430 remains unclear. We used various imaging techniques, including laser scanning confocal microscopy, spinning disk, and lightsheet microscopy, to study the localization of miR-430 and any developmental defects possibly caused by the molecular beacon. Our results show that miR-430 is expressed early in development and is localized in distinct cytoplasmic granules where its target mRNA can be detected. We also show that the designed molecular beacon can inhibit the function of miR-430 and cause developmental defect in the brain, notochord, heart, and kidney, depending on the delivery site within the embryo, suggesting that miR-430 plays a diverse role in embryonic morphogenesis. When compared with morpholino, molecular beacon is 2 orders of magnitude more potent in inhibiting miR-430. Thus, our results reveal that in addition to being used as a valuable tool for the detection of microRNAs in vivo, molecular beacons can also be employed to inhibit microRNAs in a specific manner. PMID:28100783

Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO

DOE PAGES

Sugiyama, Issei; Kim, Yunseok; Jesse, Stephen; ...

2014-10-22

Bias-induced oxygen ion dynamics underpins a broad spectrum of electroresistive and memristive phenomena in oxide materials. Although widely studied by device-level and local voltage-current spectroscopies, the relationship between electroresistive phenomena, local electrochemical behaviors, and microstructures remains elusive. Here, the interplay between history-dependent electronic transport and electrochemical phenomena in a NiO single crystalline thin film with a number of well-defined defect types is explored on the nanometer scale using an atomic force microscopy-based technique. A variety of electrochemically-active regions were observed and spatially resolved relationship between the electronic and electrochemical phenomena was revealed. The regions with pronounced electroresistive activity were furthermore » correlated with defects identified by scanning transmission electron microscopy. Using fully coupled mechanical-electrochemical modeling, we illustrate that the spatial distribution of strain plays an important role in electrochemical and electroresistive phenomena. In conclusion, these studies illustrate an approach for simultaneous mapping of the electronic and ionic transport on a single defective structure level such as dislocations or interfaces, and pave the way for creating libraries of defect-specific electrochemical responses.« less

Thermally-induced voltage alteration for integrated circuit analysis

DOEpatents

Cole, Jr., Edward I.

2000-01-01

A thermally-induced voltage alteration (TIVA) apparatus and method are disclosed for analyzing an integrated circuit (IC) either from a device side of the IC or through the IC substrate to locate any open-circuit or short-circuit defects therein. The TIVA apparatus uses constant-current biasing of the IC while scanning a focused laser beam over electrical conductors (i.e. a patterned metallization) in the IC to produce localized heating of the conductors. This localized heating produces a thermoelectric potential due to the Seebeck effect in any conductors with open-circuit defects and a resistance change in any conductors with short-circuit defects, both of which alter the power demand by the IC and thereby change the voltage of a source or power supply providing the constant-current biasing. By measuring the change in the supply voltage and the position of the focused and scanned laser beam over time, any open-circuit or short-circuit defects in the IC can be located and imaged. The TIVA apparatus can be formed in part from a scanning optical microscope, and has applications for qualification testing or failure analysis of ICs.

Noise and degradation of amorphous silicon devices

NASA Astrophysics Data System (ADS)

Bakker, J. P. R.

2003-10-01

Electrical noise measurements are reported on two devices of the disordered semiconductor hydrogenated amorphous silicon (a-Si:H). The material is applied in sandwich structures and in thin-film transistors (TFTs). In a sandwich configuration of an intrinsic layer and two thin doped layers, the observed 1/f resistance noise can be attributed to a distribution of energy levels in the system. Two candidates which eventually could explain the origin of the energy distribution are investigated: generation-recombination noise and long-range potential fluctuations. A simulation program was applied to fit the current-voltage characteristics and resolves the defect density, the energy position and width of the Gaussian distributions of deep defects. Generation-recombination (g-r) is calculated for a one-dimensional semiconductor device with traps, taking the transport of local fluctuations into account. Although the times characterizing capture and emission for deep defects are in the right (ms) range, the calculated noise intensity is five to six orders of magnitude below the measured noise level. Another noise source must cause the 1/f noise in a-Si:H. The alternative is provided by the theory of long-range potential fluctuations. The timescale of the fluctuations is again the capture or emission time for deep defects. When an electron is emitted or captured, the charge state of a deep defect fluctuates. As a result, the potential around that defect will fluctuate, being screened by the surrounding defects. Free electrons will instantaneously adjust to the local potential. The adjustment causes a resistance fluctuation, which is measured as a voltage fluctuation in presence of a constant current. The theory predicts the noise intensity accurately, without any adjustable parameters. Unlike the intensity, the spectral shape is fitted by adjustment of two parameters of the potential landscape. The complete temperature dependence of the noise spectra is consistently described by a Gaussian distribution of potential barriers, located 0.27 eV above the conduction band edge, with a halfwidth of 0.09 eV. A large number of experiments is explained by the theory of long-range potential fluctuations: the thickness dependence, the absence of an isotope effect and the analogous results for oppositely doped devices. From these experiments, it is concluded that a universal potential landscape exists in undoped a-Si:H. Further, the relation between degradation upon prolonged light-soaking and noise is studied. After degradation, the curvature of noise spectra is unaffected, while the intensity increases slightly. These observations are consistent with the theoretical predictions using the observed increase of the defect density. It seems that the potential landscape does not change significantly upon degradation. Noise measurements in the sub-threshold regime of a-Si:H TFTs turn out to yield diffusion noise. Diffusion of electrons through the one-dimensional channel is identified as the source of the noise. The drift mobility extracted from the combined noise and conduction data is below the value that characterizes the on-state. The number of free electrons as determined from combined noise and conduction measurements are in quantitative agreement with an alternative determination from conduction measurements only.

Effects of inspection on retailer's ordering policy for deteriorating items with time-dependent demand under inflationary conditions

NASA Astrophysics Data System (ADS)

Jaggi, Chandra K.; Mittal, Mandeep; Khanna, Aditi

2013-09-01

In this article, an Economic Order Quantity (EOQ) model has been developed with unreliable supply, where each received lot may have random fraction of defective items with known distribution. Thus, the inspection of lot becomes essential in almost all the situations. Moreover, its role becomes more significant when the items are deteriorating in nature. It is assumed that defective items are salvaged as a single batch after the screening process. Further, it has been observed that the demand as well as price for certain consumer items increases linearly with time, especially under inflationary conditions. Owing to this fact, this article investigates the impact of defective items on retailer's ordering policy for deteriorating items under inflation when both demand and price vary with the passage of time. The proposed model optimises the order quantity by maximising the retailer's expected profit. Results are demonstrated with the help of a numerical example and the sensitivity analysis is also presented to provide managerial insights into practice.

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.

Defect structures in ordered intermetallics; grain boundaries and surfaces in FeAl, NiAl, CoAl and TiAl

NASA Astrophysics Data System (ADS)

Mutasa, Batsirai Manyara

Ordered intermetallics based on transition metal aluminides have been proposed as structural materials for advanced aerospace applications. The development of these materials, which have the advantages of low density and high operating temperatures, have been focused on the aluminides of titanium, nickel and iron. Though these materials exhibit attractive properties at elevated temperatures, their utilization is limited due to their propensity for low temperature fracture and susceptibility to decreased ductility due to environmental effects. A major embrittlement mechanism at ambient temperatures in these aluminides has been by the loss of cohesive strength at the interfaces (intergranular failure). This study focuses on this mechanism of failure, by undertaking a systematic study of the energies and structures of specific grain boundaries in some of these compounds. The relaxed atomistic grain boundary structures in B2 aluminides, FeAl, NiAl and CoAl and L10 gamma-TiAl were investigated using molecular statics and embedded atom potentials in order to explore general trends for a series of B2 compounds as well as TiAl. The potentials used correctly predict the proper mechanism of compositional disorder of these compounds. Using these potentials, point defects, free surface energies and various grain boundary structures of similar energies in three B2 compounds, FeAl, NiAl and CoAl were studied. These B2 alloys exhibited increasing anti-phase boundary energies respectively. The misorientations chosen for detailed study correspond to the Sigma5(310) and Sigma5(210) boundaries. These boundaries were investigated with consideration given to possible variations in the local chemical composition. The effects of both boundary stoichiometry and bulk stoichiometry on grain boundary energetics were also considered. Defect energies were calculated for boundaries contained in both stoichiometric and off-stoichiometric bulk. The surface energies for these aluminides were also calculated so that trends concerning the cohesive energy of the boundaries could be studied. The implications of stoichiometry, the multiplicity of the boundary structures and possible transformations between them for grain boundary brittleness are also discussed.

Delivery of S1P Receptor-Targeted Drugs via Biodegradable Polymer Scaffolds Enhances Bone Regeneration in a Critical Size Cranial Defect*

PubMed Central

Das, Anusuya; Tanner, Shaun; Barker, Daniel A.; Green, David; Botchwey, Edward A.

2014-01-01

Biodegradable polymer scaffolds can be used to deliver soluble factors to enhance osseous remodeling in bone defects. To this end, we designed a poly(lactic-co-glycolic acid) (PLAGA) microsphere scaffold to sustain the release of FTY720, a selective agonist for sphingosine 1-phosphate (S1P) receptors. The microsphere scaffolds were created from fast degrading 50:50 PLAGA and/or from slow-degrading 85:15 PLAGA. Temporal and spatial regulation of bone remodeling depended on the use of appropriate scaffolds for drug delivery. The release profiles from the scaffolds were used to design an optimal delivery system to treat critical size cranial defects in a rodent model. The ability of local FTY720 delivery to maximize bone regeneration was evaluated with microcomputed tomography (microCT) and histology. Following 4 weeks of defect healing, FTY720 delivery from 85:15 PLAGA scaffolds resulted in a significant increase in bone volumes in the defect region compared to the controls. 85:15 microsphere scaffolds maintain their structural integrity over a longer period of time, and cause an initial burst release of FTY720 due to surface localization of the drug. This encourages cellular in-growth and an increase in new bone formation. PMID:23640833

Delivery of S1P receptor-targeted drugs via biodegradable polymer scaffolds enhances bone regeneration in a critical size cranial defect.

PubMed

Das, Anusuya; Tanner, Shaun; Barker, Daniel A; Green, David; Botchwey, Edward A

2014-04-01

Biodegradable polymer scaffolds can be used to deliver soluble factors to enhance osseous remodeling in bone defects. To this end, we designed a poly(lactic-co-glycolic acid) (PLAGA) microsphere scaffold to sustain the release of FTY720, a selective agonist for sphingosine 1-phosphate (S1P) receptors. The microsphere scaffolds were created from fast degrading 50:50 PLAGA and/or from slow-degrading 85:15 PLAGA. Temporal and spatial regulation of bone remodeling depended on the use of appropriate scaffolds for drug delivery. The release profiles from the scaffolds were used to design an optimal delivery system to treat critical size cranial defects in a rodent model. The ability of local FTY720 delivery to maximize bone regeneration was evaluated with micro-computed tomography (microCT) and histology. Following 4 weeks of defect healing, FTY720 delivery from 85:15 PLAGA scaffolds resulted in a significant increase in bone volumes in the defect region compared to the controls. A 85:15 microsphere scaffolds maintain their structural integrity over a longer period of time, and cause an initial burst release of FTY720 due to surface localization of the drug. This encourages cellular in-growth and an increase in new bone formation. Copyright © 2013 Wiley Periodicals, Inc.

Nonlinear dynamic modeling of surface defects in rolling element bearing systems

NASA Astrophysics Data System (ADS)

Rafsanjani, Ahmad; Abbasion, Saeed; Farshidianfar, Anoushiravan; Moeenfard, Hamid

2009-01-01

In this paper an analytical model is proposed to study the nonlinear dynamic behavior of rolling element bearing systems including surface defects. Various surface defects due to local imperfections on raceways and rolling elements are introduced to the proposed model. The contact force of each rolling element described according to nonlinear Hertzian contact deformation and the effect of internal radial clearance has been taken into account. Mathematical expressions were derived for inner race, outer race and rolling element local defects. To overcome the strong nonlinearity of the governing equations of motion, a modified Newmark time integration technique was used to solve the equations of motion numerically. The results were obtained in the form of time series, frequency responses and phase trajectories. The validity of the proposed model verified by comparison of frequency components of the system response with those obtained from experiments. The classical Floquet theory has been applied to the proposed model to investigate the linear stability of the defective bearing rotor systems as the parameters of the system changes. The peak-to-peak frequency response of the system for each case is obtained and the basic routes to periodic, quasi-periodic and chaotic motions for different internal radial clearances are determined. The current study provides a powerful tool for design and health monitoring of machine systems.

A novel injectable borate bioactive glass cement for local delivery of vancomycin to cure osteomyelitis and regenerate bone.

PubMed

Cui, Xu; Zhao, Cunju; Gu, Yifei; Li, Le; Wang, Hui; Huang, Wenhai; Zhou, Nai; Wang, Deping; Zhu, Yi; Xu, Jun; Luo, Shihua; Zhang, Changqing; Rahaman, Mohamed N

2014-03-01

Osteomyelitis (bone infection) is often difficult to cure. The commonly-used treatment of surgical debridement to remove the infected bone combined with prolonged systemic and local antibiotic treatment has limitations. In the present study, an injectable borate bioactive glass cement was developed as a carrier for the antibiotic vancomycin, characterized in vitro, and evaluated for its capacity to cure osteomyelitis in a rabbit tibial model. The cement (initial setting time = 5.8 ± 0.6 min; compressive strength = 25.6 ± 0.3 MPa) released vancomycin over ~25 days in phosphate-buffered saline, during which time the borate glass converted to hydroxyapatite (HA). When implanted in rabbit tibial defects infected with methicillin-resistant Staphylococcus aureus (MRSA)-induced osteomyelitis, the vancomycin-loaded cement converted to HA and supported new bone formation in the defects within 8 weeks. Osteomyelitis was cured in 87 % of the defects implanted with the vancomycin-loaded borate glass cement, compared to 71 % for the defects implanted with vancomycin-loaded calcium sulfate cement. The injectable borate bioactive glass cement developed in this study is a promising treatment for curing osteomyelitis and for regenerating bone in the defects following cure of the infection.

Vacancy effects on the electronic and structural properties pentacene

NASA Astrophysics Data System (ADS)

Laraib, Iflah; Janotti, Anderson

Defects in organic crystals are likely to affect charge transport in organic electronic devices. Vacancies can create lattice distortions and modify electronic states associated with the molecules in its surrounding. Spectroscopy experiments indicate that molecular vacancies trap charge carriers. Experimental characterization of individual defects is challenging and unambiguous. Here we use density functional calculations including van der Waals interactions in a supercell approach to study the single vacancy in pentacene, a prototype organic semiconductor. We determine formation energies, local lattice relaxations, and discuss how vacancies locally distort the lattice and affect the electronic properties of the host organic semiconductor.

Defect images by planar ECT probe of meander-mesh coils

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

Yamada, Sotoshi; Katou, Masaki; Iwahara, Masayoshi

1996-09-01

This paper presents results pertaining to image data obtained from a planar meander-mesh coupled coil type ECT probe. The image data makes it possible to detect not only the existence of a defect but also to extract detailed information regarding the nature of the defect, such as its position, shape, length, and direction. In order to recognize a defect distinctly, the authors have fabricated the high sensitive planar coil which can be used to image a 2-D representation of the ECT signal. The relationships between the image pattern and defect shape are discussed.

The hybrid lattice of K(x)Fe(2-y)Se2: where superconductivity and magnetism coexist.

PubMed

Louca, Despina; Park, Keeseong; Li, Bing; Neuefeind, Joerg; Yan, Jiaqiang

2013-01-01

Much remains unknown of the microscopic origin of superconductivity in atomically disordered systems of amorphous alloys or in crystals riddled with defects. A manifestation of this conundrum is envisaged in the highly defective superconductor of K(x)Fe(2-y)Se2. How can superconductivity survive under such crude conditions that call for strong electron localization? Here, we show that the Fe sublattice is locally distorted and accommodates two kinds of Fe valence environments giving rise to a bimodal bond-distribution, with short and long Fe bonds. The bimodal bonds are present even as the system becomes superconducting in the presence of antiferromagnetism, with the weight continuously shifting from the short to the long with increasing K content. Such a hybrid state is most likely found in cuprates as well while our results point to the importance of the local atomic symmetry by which exchange interactions between local moments materialize.

Rapid transitions between defect configurations in a block copolymer melt.

PubMed

Tsarkova, Larisa; Knoll, Armin; Magerle, Robert

2006-07-01

With in situ scanning force microscopy, we image the ordering of cylindrical microdomains in a thin film of a diblock copolymer melt. Tracking the evolution of individual defects reveals elementary steps of defect motion via interfacial undulations and repetitive transitions between distinct defect configurations on a time scale of tens of seconds. The velocity of these transitions suggests a cooperative movement of clusters of chains. The activation energy for the opening/closing of a connection between two cylinders is estimated.

Using experimental modal analysis to assess the behaviour of timber elements

NASA Astrophysics Data System (ADS)

Kouroussis, Georges; Fekih, Lassaad Ben; Descamps, Thierry

2018-03-01

Timber frameworks are one of the most important and widespread types of structures. Their configurations and joints are usually complex and require a high level of craftsmanship to assemble. In the field of restoration, a good understanding of the structural behaviour is necessary and is often based on assessment techniques dedicated to wood characterisation. This paper presents the use of experimental modal analysis for finite element updating. To do this, several timber beams in a free supported condition were analysed in order to extract their bending natural characteristics (frequency, damping and mode shapes). Corresponding ABAQUS finite element models were derived which included the effects of local defects (holes, cracks and wood nodes), moisture and structural decay. To achieve the modal updating, additional simulations were performed in order to study the sensitivity of the mechanical parameters. With the intent to estimate their mechanical properties, a procedure of modal updating was carried out in MatLab with a Python script. This was created to extract the modal information from the ABAQUS modal analysis results to be compared with the experimental results. The updating was based on a minimum of unconstrained multivariable function using a derivative-free method. The objective function was selected from the conventional comparison tools (absolute or relative frequency difference, and/or modal assurance criterion). This testing technique was used to determine the dynamic mechanical properties of timber beams, such as the anisotropic Young's Moduli and damping ratio. To verify the modulus, a series of static 4-point bending tests and STS04 classifications were conducted. The results also revealed that local defects have a negligible influence on natural frequencies. The results demonstrate that this assessment tool offers an effective method to obtain the mechanical properties of timber elements, especially when on-site and non-destructive techniques are needed, for example when retrofitting an existing structure.

21 CFR 1305.15 - Unaccepted and defective DEA Forms 222.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 9 2011-04-01 2011-04-01 false Unaccepted and defective DEA Forms 222. 1305.15... I AND II CONTROLLED SUBSTANCES DEA Form 222 § 1305.15 Unaccepted and defective DEA Forms 222. (a) A DEA Form 222 must not be filled if either of the following apply: (1) The order is not complete...

21 CFR 1305.15 - Unaccepted and defective DEA Forms 222.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 9 2010-04-01 2010-04-01 false Unaccepted and defective DEA Forms 222. 1305.15... I AND II CONTROLLED SUBSTANCES DEA Form 222 § 1305.15 Unaccepted and defective DEA Forms 222. (a) A DEA Form 222 must not be filled if either of the following apply: (1) The order is not complete...

Cystinosin, the small GTPase Rab11, and the Rab7 effector RILP regulate intracellular trafficking of the chaperone-mediated autophagy receptor LAMP2A.

PubMed

Zhang, Jinzhong; Johnson, Jennifer L; He, Jing; Napolitano, Gennaro; Ramadass, Mahalakshmi; Rocca, Celine; Kiosses, William B; Bucci, Cecilia; Xin, Qisheng; Gavathiotis, Evripidis; Cuervo, Ana María; Cherqui, Stephanie; Catz, Sergio D

2017-06-23

The lysosomal storage disease cystinosis, caused by cystinosin deficiency, is characterized by cell malfunction, tissue failure, and progressive renal injury despite cystine-depletion therapies. Cystinosis is associated with defects in chaperone-mediated autophagy (CMA), but the molecular mechanisms are incompletely understood. Here, we show CMA substrate accumulation in cystinotic kidney proximal tubule cells. We also found mislocalization of the CMA lysosomal receptor LAMP2A and impaired substrate translocation into the lysosome caused by defective CMA in cystinosis. The impaired LAMP2A trafficking and localization were rescued either by the expression of wild-type cystinosin or by the disease-associated point mutant CTNS-K280R, which has no cystine transporter activity. Defective LAMP2A trafficking in cystinosis was found to associate with decreased expression of the small GTPase Rab11 and the Rab7 effector RILP. Defective Rab11 trafficking in cystinosis was rescued by treatment with small-molecule CMA activators. RILP expression was restored by up-regulation of the transcription factor EB (TFEB), which was down-regulated in cystinosis. Although LAMP2A expression is independent of TFEB, TFEB up-regulation corrected lysosome distribution and lysosomal LAMP2A localization in Ctns -/- cells but not Rab11 defects. The up-regulation of Rab11, Rab7, or RILP, but not its truncated form RILP-C33, rescued LAMP2A-defective trafficking in cystinosis, whereas dominant-negative Rab11 or Rab7 impaired LAMP2A trafficking. Treatment of cystinotic cells with a CMA activator increased LAMP2A localization at the lysosome and increased cell survival. Altogether, we show that LAMP2A trafficking is regulated by cystinosin, Rab11, and RILP and that CMA up-regulation is a potential clinically relevant mechanism to increase cell survival in cystinosis. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Population-Based Surveillance of Birth Defects Potentially Related to Zika Virus Infection - 15 States and U.S. Territories, 2016.

PubMed

Delaney, Augustina; Mai, Cara; Smoots, Ashley; Cragan, Janet; Ellington, Sascha; Langlois, Peter; Breidenbach, Rebecca; Fornoff, Jane; Dunn, Julie; Yazdy, Mahsa; Scotto-Rosato, Nancy; Sweatlock, Joseph; Fox, Deborah; Palacios, Jessica; Forestieri, Nina; Leedom, Vinita; Smiley, Mary; Nance, Amy; Lake-Burger, Heather; Romitti, Paul; Fall, Carrie; Prado, Miguel Valencia; Barton, Jerusha; Bryan, J Michael; Arias, William; Brown, Samara Viner; Kimura, Jonathan; Mann, Sylvia; Martin, Brennan; Orantes, Lucia; Taylor, Amber; Nahabedian, John; Akosa, Amanda; Song, Ziwei; Martin, Stacey; Ramlal, Roshan; Shapiro-Mendoza, Carrie; Isenburg, Jennifer; Moore, Cynthia A; Gilboa, Suzanne; Honein, Margaret A

2018-01-26

Zika virus infection during pregnancy can cause serious birth defects, including microcephaly and brain abnormalities (1). Population-based birth defects surveillance systems are critical to monitor all infants and fetuses with birth defects potentially related to Zika virus infection, regardless of known exposure or laboratory evidence of Zika virus infection during pregnancy. CDC analyzed data from 15 U.S. jurisdictions conducting population-based surveillance for birth defects potentially related to Zika virus infection.* Jurisdictions were stratified into the following three groups: those with 1) documented local transmission of Zika virus during 2016; 2) one or more cases of confirmed, symptomatic, travel-associated Zika virus disease reported to CDC per 100,000 residents; and 3) less than one case of confirmed, symptomatic, travel-associated Zika virus disease reported to CDC per 100,000 residents. A total of 2,962 infants and fetuses (3.0 per 1,000 live births; 95% confidence interval [CI] = 2.9-3.2) (2) met the case definition. † In areas with local transmission there was a non-statistically significant increase in total birth defects potentially related to Zika virus infection from 2.8 cases per 1,000 live births in the first half of 2016 to 3.0 cases in the second half (p = 0.10). However, when neural tube defects and other early brain malformations (NTDs) § were excluded, the prevalence of birth defects strongly linked to congenital Zika virus infection increased significantly, from 2.0 cases per 1,000 live births in the first half of 2016 to 2.4 cases in the second half, an increase of 29 more cases than expected (p = 0.009). These findings underscore the importance of surveillance for birth defects potentially related to Zika virus infection and the need for continued monitoring in areas at risk for Zika.

Quasi-interferometric scheme improved by fiber Bragg grating written on macrostructure defect in silica multimode optical fiber operating in a few-mode regime

NASA Astrophysics Data System (ADS)

Evtushenko, Alexander S.; Faskhutdinov, Lenar M.; Kafarova, Anastasia M.; 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 results of experimental approbation of earlier on proposed modified fiber optic stress sensor based on a few-mode effects occurring during laser-excited optical signal propagation over silica multimode optical fiber (MMF). Modification is concerned with a passage to quasi-interferometric scheme realized by two multimode Y-couplers with equalized arm lengths improved by fiber Bragg grating (FBG) written on preliminary formed precision macrostructure defects in silica multimode graded-index optical fibers and special offset launching conditions providing laser-based excitation of higher-order modes. The "arms" of quasi-interferometer are two equalized lengths of MMF Cat. OM2 with great central dip of refractive index profile and strong pulse splitting due to high differential mode delay (DMD). We tested FBGs with Bragg wavelength both 1310 nm and 1550 nm written over tapers or up-tapers preliminary formed in short pieces of MMF Cat. OM2+/OM3 and further jointed to the end of one of the arms before output Y-coupler. Researches were focused on comparison analysis of pulse responses under changing of selected excited mode mixing and power diffusion processes due to stress distributed action to sensor fiber depending. Here we considered FBGs not only as particular wavelength reflector during spectral response measurement but also as local periodic microstructure defect which strongly effects on few-mode signal components mixing process also improved by combination with macro-defect like taper or up-taper that should provide response variation. Some results pulse response measurements produced for different scheme configuration and their comparison analysis are represented.

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Defect Genome of Cubic Perovskites for Fuel Cell Applications

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

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

Defect Genome of Cubic Perovskites for Fuel Cell Applications

DOE PAGES

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.; ...

2017-10-10

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Limitation of Shrinkage Porosity in Aluminum Rotor Die Casting

NASA Astrophysics Data System (ADS)

Kim, Young-Chan; Choi, Se-Weon; Kim, Cheol-Woo; Cho, Jae-Ik; Lee, Sung-Ho; Kang, Chang-Seog

Aluminum rotor prone to have many casting defects especially large amount of air and shrinkage porosity, which caused eccentricity, loss and noise during motor operation. Many attempts have been made to develop methods of shrinkage porosity control, but still there are some problems to solve. In this research, the process of vacuum squeeze die casting is proposed for limitation of defects. The 6 pin point gated dies which were in capable of local squeeze at the end ring were used. Influences of filling patterns on HPDC were evaluated and the important process control parameters were high injection speed, squeeze length, venting and process conditions. By using local squeeze and vacuum during filling and solidification, air and shrinkage porosity were significantly reduced and the feeding efficiency at the upper end ring was improved 10%. As a result of controlling the defects, the dynamometer test showed improved motor efficiency by more than 4%.

Osteogenic Activity of Locally Applied Small Molecule Drugs in a Rat Femur Defect Model

PubMed Central

Cottrell, Jessica A.; Vales, Francis M.; Schachter, Deborah; Wadsworth, Scott; Gundlapalli, Rama; Kapadia, Rasesh; O'Connor, J. Patrick

2010-01-01

The long-term success of arthroplastic joints is dependent on the stabilization of the implant within the skeletal site. Movement of the arthroplastic implant within the bone can stimulate osteolysis, and therefore methods which promote rigid fixation or bone growth are expected to enhance implant stability and the long-term success of joint arthroplasty. In the present study, we used a simple bilateral bone defect model to analyze the osteogenic activity of three small-molecule drug implants via microcomputerized tomography (micro-CT) and histomorphometry. In this study, we show that local delivery of alendronate, but not lovastatin or omeprazole, led to significant new bone formation at the defect site. Since alendronate impedes osteoclast-development, it is theorized that alendronate treatment results in a net increase in bone formation by preventing osteoclast mediated remodeling of the newly formed bone and upregulating osteoblasts. PMID:20625499

[Surgical Procedure of Buccal Mucosal Carcinoma - Reconstruction of Mouth Angle].

PubMed

Yoshino, Aya; Kanno, Takahiro; Karino, Masaaki; Iwahashi, Teruaki; Sekine, Joji

2018-03-01

Surgical resection of the buccal mucosal carcinoma often induces soft tissue defect. The treatment plan should be considered to preserve oro-facial function and morpho-esthetics. This retrospective study reports the surgical reconstruction procedures in buccal mucosal carcinoma patients. We evaluated 4 cases(2 men, 2 women, mean age: 81.8 year-old)treated in Department of Oral and Maxillofacial Surgery, Shimane University Hospital between June 2007 and January 2017. The average size of primary tumor was 4.9 cm2. And the average size of facial skin defect in the mouth angle was 3.1 cm2. The facial local skin flaps and/or other pedicled flap were used for the reconstruction of the mouth angle. Severe contraction of the scar was manifested in 2 cases. Though reconstruction using the local pedicled flaps for full thickness skin defect in the mouth angle would be feasible, special attention is considered regarding the postoperative contraction of the scar.

Influence of the local environment on Mn acceptors in GaAs

NASA Astrophysics Data System (ADS)

Lee, Donghun; Gohlke, David; Benjamin, Anne; Gupta, Jay A.

2015-04-01

As transistors continue to shrink toward nanoscale dimensions, their characteristics are increasingly dependent on the statistical variations of impurities in the semiconductor material. The scanning tunneling microscope (STM) can be used to not only study prototype devices with atomically precise placement of impurity atoms, but can also probe how the properties of these impurities depend on the local environment. Tunneling spectroscopy of Mn acceptors in GaAs indicates that surface-layer Mn act as a deep acceptor, with a hole binding energy that can be tuned by positioning charged defects nearby. Band bending induced by the tip or by these defects can also tune the ionization state of the acceptor complex, evident as a ring-like contrast in STM images. The interplay of these effects is explored over a wide range of defect distances, and understood using iterative simulations of tip-induced band bending.

Localized emission from laser-irradiated defects in 2D hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Hou, Songyan; Danang Birowosuto, Muhammad; Umar, Saleem; Ange Anicet, Maurice; Yingjie Tay, Roland; Coquet, Philippe; Tay, Beng Kang; Wang, Hong; Teo, Edwin Hang Tong

2018-01-01

Hexagonal boron nitride (hBN) has emerged as a promising two-dimensional (2D) material for photonics device due to its large bandgap and flexibility in nanophotonic circuits. Here, we report bright and localized luminescent centres can be engineered in hBN monolayers and flakes using laser irradiation. The transition from hBN to cBN emerges in laser irradiated hBN large monolayers while is absent in processed hBN flakes. Remarkably, the colour centres in hBN flakes exhibit room temperature cleaner single photon emissions with g 2(0) ranging from 0.20 to 0.42, a narrower line width of 1.4 nm and higher brightness compared with monolayers. Our results pave the way to engineering deterministic defects in hBN induced by laser pulse and show great prospect for application of defects in hBN used as nano-size light source in photonics.

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.

Multisampling suprathreshold perimetry: a comparison with conventional suprathreshold and full-threshold strategies by computer simulation.

PubMed

Artes, Paul H; Henson, David B; Harper, Robert; McLeod, David

2003-06-01

To compare a multisampling suprathreshold strategy with conventional suprathreshold and full-threshold strategies in detecting localized visual field defects and in quantifying the area of loss. Probability theory was applied to examine various suprathreshold pass criteria (i.e., the number of stimuli that have to be seen for a test location to be classified as normal). A suprathreshold strategy that requires three seen or three missed stimuli per test location (multisampling suprathreshold) was selected for further investigation. Simulation was used to determine how the multisampling suprathreshold, conventional suprathreshold, and full-threshold strategies detect localized field loss. To determine the systematic error and variability in estimates of loss area, artificial fields were generated with clustered defects (0-25 field locations with 8- and 16-dB loss) and, for each condition, the number of test locations classified as defective (suprathreshold strategies) and with pattern deviation probability less than 5% (full-threshold strategy), was derived from 1000 simulated test results. The full-threshold and multisampling suprathreshold strategies had similar sensitivity to field loss. Both detected defects earlier than the conventional suprathreshold strategy. The pattern deviation probability analyses of full-threshold results underestimated the area of field loss. The conventional suprathreshold perimetry also underestimated the defect area. With multisampling suprathreshold perimetry, the estimates of defect area were less variable and exhibited lower systematic error. Multisampling suprathreshold paradigms may be a powerful alternative to other strategies of visual field testing. Clinical trials are needed to verify these findings.

A novel fusion method of improved adaptive LTP and two-directional two-dimensional PCA for face feature extraction

NASA Astrophysics Data System (ADS)

Luo, Yuan; Wang, Bo-yu; Zhang, Yi; Zhao, Li-ming

2018-03-01

In this paper, under different illuminations and random noises, focusing on the local texture feature's defects of a face image that cannot be completely described because the threshold of local ternary pattern (LTP) cannot be calculated adaptively, a local three-value model of improved adaptive local ternary pattern (IALTP) is proposed. Firstly, the difference function between the center pixel and the neighborhood pixel weight is established to obtain the statistical characteristics of the central pixel and the neighborhood pixel. Secondly, the adaptively gradient descent iterative function is established to calculate the difference coefficient which is defined to be the threshold of the IALTP operator. Finally, the mean and standard deviation of the pixel weight of the local region are used as the coding mode of IALTP. In order to reflect the overall properties of the face and reduce the dimension of features, the two-directional two-dimensional PCA ((2D)2PCA) is adopted. The IALTP is used to extract local texture features of eyes and mouth area. After combining the global features and local features, the fusion features (IALTP+) are obtained. The experimental results on the Extended Yale B and AR standard face databases indicate that under different illuminations and random noises, the algorithm proposed in this paper is more robust than others, and the feature's dimension is smaller. The shortest running time reaches 0.329 6 s, and the highest recognition rate reaches 97.39%.

Histological evaluation of human intrabony periodontal defects treated with an unsintered nanocrystalline hydroxyapatite paste.

PubMed

Horváth, Attila; Stavropoulos, Andreas; Windisch, Péter; Lukács, László; Gera, István; Sculean, Anton

2013-03-01

The aim of the study was to clinically and histologically evaluate the healing of human intrabony defects treated with open flap surgery (OFD) and application of a new, resorbable, fully synthetic, unsintered, nanocrystalline, phase-pure hydroxyapatite (nano-HA). Six patients, each of them displaying very advanced intrabony defects around teeth scheduled for extraction due to advanced chronic periodontitis and further prosthodontic considerations, were included in the study. Following local anaesthesia, mucoperiosteal flaps were reflected; the granulation tissue was removed, and the roots were meticulously debrided by hand and ultrasonic instruments. A notch was placed at the most apical extent of the calculus present on the root surface or at the most apical part of the defect (if no calculus was present) in order to serve as a reference for the histological evaluation. Following defect fill with nano-HA, the flaps were sutured by means of mattress sutures to allow primary intention healing. At 7 months after regenerative surgery, the teeth were extracted together with some of their surrounding soft and hard tissues and processed for histological analysis. The postoperative healing was uneventful in all cases. At 7 months following surgery, mean PPD reduction and mean CAL gain measured 4.0 ± 0.8 and 2.5 ± 0.8 mm, respectively. The histological analysis revealed a healing predominantly characterized by epithelial downgrowth. Limited formation of new cementum with inserting connective tissue fibers and bone regeneration occurred in three out of the six biopsies (i.e. 0-0.86 and 0-1.33 mm, respectively). Complete resorption of the nano-HA was found in four out of the six biopsies. A few remnants of the graft particles (either surrounded by newly formed mineralized tissue or encapsulated in connective tissue) were found in two out of the six biopsies. Within their limits, the present results indicate that nano-HA has limited potential to promote periodontal regeneration in human intrabony defects. The clinical outcomes obtained following surgery with OFD + nano-HA may not reflect true periodontal regeneration.

Myocardial contusion in patients with blunt chest trauma as evaluated by thallium 201 myocardial scintigraphy

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

Bodin, L.; Rouby, J.J.; Viars, P.

1988-07-01

Fifty five patients suffering from blunt chest trauma were studied to assess the diagnosis of myocardial contusion using thallium 201 myocardial scintigraphy. Thirty-eight patients had consistent scintigraphic defects and were considered to have a myocardial contusion. All patients with scintigraphic defects had paroxysmal arrhythmias and/or ECG abnormalities. Of 38 patients, 32 had localized ST-T segment abnormalities; 29, ST-T segment abnormalities suggesting involvement of the same cardiac area as scintigraphic defects; 21, echocardiographic abnormalities. Sixteen patients had segmental hypokinesia involving the same cardiac area as the scintigraphic defects. Fifteen patients had clinical signs suggestive of myocardial contusion and scintigraphic defects. Almostmore » 70 percent of patients with blunt chest trauma had scintigraphic defects related to areas of myocardial contusion. When thallium 201 myocardial scintigraphy directly showed myocardial lesion, two-dimensional echocardiography and standard ECG detected related functional consequences of cardiac trauma.« less

Mesoscale martensitic transformation in single crystals of topological defects

PubMed Central

Martínez-González, José A.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-01-01

Liquid-crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of double-twisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by the existence of grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with precision by relying on chemically nanopatterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of mesocrystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local reorganization of the crystalline array, without diffusion of the double-twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the submicron regime, is found to be martensitic in nature when one considers the collective behavior of the double-twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal nucleation and the controlled growth of soft matter. PMID:28874557

Observation of short range order driven large refrigerant capacity in chemically disordered single phase compound Dy2Ni0.87Si2.95.

PubMed

Pakhira, Santanu; Mazumdar, Chandan; Choudhury, Dibyasree; Ranganathan, R; Giri, S

2018-05-16

In this work, we report the successful synthesis of a new intermetallic compound Dy2Ni0.87Si2.95 forming in single phase only with a chemically disordered structure. The random distribution of Ni/Si and crystal defects create a variation in the local electronic environment between the magnetic Dy ions. In the presence of both disorder and competing exchange interactions driven magnetic frustration, originating due to c/a ∼ 1, the compound undergoes spin freezing behaviour below 5.6 K. In the non-equilibrium state below the spin freezing behaviour, the compound exhibits aging phenomena and magnetic memory effects. In the magnetically short-range ordered region, much above the freezing temperature, an unusual occurrence of considerable magnetic entropy change, -ΔSmaxM ∼ 21 J kg-1 K-1 with large cooling power RCP ∼ 531 J kg-1 and adiabatic temperature change, ΔTad ∼ 10 K for a field change of 70 kOe, is observed for this short range ordered cluster-glass compound without any magnetic hysteresis loss.

Textures in a chiral smectic liquid-crystal film

NASA Astrophysics Data System (ADS)

Langer, Stephen A.; Sethna, James P.

1986-12-01

Freely suspended liquid-crystal films of the smectic-I phase of HOBACPC [R(-) hexyloxybenzylidene p'-amino-2-chloropropyl cinnamate] display distinctive stripe and droplet textures. We derive these patterns from a Landau expansion of the free energy using a vector order parameter. Strong pinning boundary conditions lead to boojums in the droplets and stable defect lines between the stripes. The boojum is a two-dimensional version of its namesake in superfluid 3A. The surface defect in the boojum is expelled from the smectic-I droplet in order to lower the internal gradient energy, leaving a defect-free texture. The expulsion distance and the width of the stripes are calculated in terms of the elastic constants.

Crystallization dynamics on curved surfaces

NASA Astrophysics Data System (ADS)

García, Nicolás A.; Register, Richard A.; Vega, Daniel A.; Gómez, Leopoldo R.

2013-07-01

We study the evolution from a liquid to a crystal phase in two-dimensional curved space. At early times, while crystal seeds grow preferentially in regions of low curvature, the lattice frustration produced in regions with high curvature is rapidly relaxed through isolated defects. Further relaxation involves a mechanism of crystal growth and defect annihilation where regions with high curvature act as sinks for the diffusion of domain walls. The pinning of grain boundaries at regions of low curvature leads to the formation of a metastable structure of defects, characterized by asymptotically slow dynamics of ordering and activation energies dictated by the largest curvatures of the system. These glassylike ordering dynamics may completely inhibit the appearance of the ground-state structures.

Defect reduction for semiconductor memory applications using jet and flash imprint lithography

NASA Astrophysics Data System (ADS)

Ye, Zhengmao; Luo, Kang; Lu, Xiaoming; Fletcher, Brian; Liu, Weijun; Xu, Frank; LaBrake, Dwayne; Resnick, Douglas J.; Sreenivasan, S. V.

2012-07-01

Acceptance of imprint lithography for manufacturing will require demonstration that it can attain defect levels commensurate with the defect specifications of high-end memory devices. Defects occurring during imprinting can generally be broken into two categories; random defects and repeating defects. Examples of random defects include fluid phase imprint defects, such as bubbles, and solid phase imprint defects, such as line collapse. Examples of repeater defects include mask fabrication defects and particle induced defects. Previous studies indicated that soft particles cause nonrepeating defects. Hard particles, on the other hand, can cause either permanent resist plugging or mask damage. In a previous study, two specific defect types were examined; random nonfill defects occurring during the resist filling process and repeater defects caused by interactions with particles on the substrate. We attempted to identify the different types of imprint defect types using a mask with line/space patterns at dimensions as small as 26 nm. An Imprio 500 twenty-wafer per hour development tool was used to study the various defect types. The imprint defect density was reduced nearly four orders of magnitude, down to ˜4/cm2 in a period of two years following the availability of low defect imprint masks at 26-nm half-pitch. This reduction was achieved by identifying the root cause of various defects and then taking the appropriate corrective action.

Hybrid Defect Phase Transition: Renormalization Group and Monte Carlo Analysis

NASA Astrophysics Data System (ADS)

Kaufman, Miron; Diep, H. T.

2010-03-01

For the q-state Potts model with 2 < q <= 4 on the square lattice with a defect line, the order parameter on the defect line jumps discontinuously from zero to a nonzero value while the defect energy varies continuously with the temperature at the critical temperature. Monte-Carlo simulations (H. T. Diep, M. Kaufman, Phys Rev E 2009) of the q-state Potts model on a square lattice with a line of defects verify the renormalization group prediction (M. Kaufman, R. B. Griffiths, Phys Rev B 1982) on the occurrence of the hybrid transition on the defect line. This is interesting since for those q values the bulk transition is continuous. This hybrid (continuous - discontinuous) defect transition is induced by the infinite range correlations at the bulk critical point.

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

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

Gao, Zhen; Gao, Fei; Zhang, Baile, E-mail: blzhang@ntu.edu.sg

2016-01-25

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

How the vortex lattice of a superconductor becomes disordered: a study by scanning tunneling spectroscopy

PubMed Central

Zehetmayer, M.

2015-01-01

Order-disorder transitions take place in many physical systems, but observing them in detail in real materials is difficult. In two- or quasi-two-dimensional systems, the transition has been studied by computer simulations and experimentally in electron sheets, dusty plasmas, colloidal and other systems. Here I show the different stages of defect formation in the vortex lattice of a superconductor while it undergoes an order-disorder transition by presenting real-space images of the lattice from scanning tunneling spectroscopy. When the system evolves from the ordered to the disordered state, the predominant kind of defect changes from dislocation pairs to single dislocations, and finally to defect clusters forming grain boundaries. Correlation functions indicate a hexatic-like state preceding the disordered state. The transition in the microscopic vortex distribution is mirrored by the well-known spectacular second peak effect observed in the macroscopic current density of the superconductor. PMID:25784605

How the vortex lattice of a superconductor becomes disordered: a study by scanning tunneling spectroscopy.

PubMed

Zehetmayer, M

2015-03-18

Order-disorder transitions take place in many physical systems, but observing them in detail in real materials is difficult. In two- or quasi-two-dimensional systems, the transition has been studied by computer simulations and experimentally in electron sheets, dusty plasmas, colloidal and other systems. Here I show the different stages of defect formation in the vortex lattice of a superconductor while it undergoes an order-disorder transition by presenting real-space images of the lattice from scanning tunneling spectroscopy. When the system evolves from the ordered to the disordered state, the predominant kind of defect changes from dislocation pairs to single dislocations, and finally to defect clusters forming grain boundaries. Correlation functions indicate a hexatic-like state preceding the disordered state. The transition in the microscopic vortex distribution is mirrored by the well-known spectacular second peak effect observed in the macroscopic current density of the superconductor.

Magnesium acceptor in gallium nitride. II. Koopmans-tuned Heyd-Scuseria-Ernzerhof hybrid functional calculations of its dual nature and optical properties

NASA Astrophysics Data System (ADS)

Demchenko, D. O.; Diallo, I. C.; Reshchikov, M. A.

2018-05-01

The problem of magnesium acceptor in gallium nitride is that experimental photoluminescence measurements clearly reveal a shallow defect state, while most theoretical predictions favor a localized polaronic defect state. To resolve this contradiction, we calculate properties of magnesium acceptor using the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, tuned to fulfill the generalized Koopmans condition. We test Koopmans tuning of HSE for defect calculations in GaN using two contrasting test cases: a deep state of gallium vacancy and a shallow state of magnesium acceptor. The obtained parametrization of HSE allows calculations of optical properties of acceptors using neutral defect-state eigenvalues, without relying on corrections due to charged defects in periodic supercells. Optical transitions and vibrational properties of M gGa defect are analyzed to bring the dual (shallow and deep) nature of this defect into accord with experimental photoluminescence measurements of the ultraviolet band in Mg-doped GaN samples.

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

PubMed

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

2009-05-01

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

An incomplete trafficking defect to the cell-surface leads to paradoxical thrombocytosis for human and murine MPL P106L.

PubMed

Favale, Fabrizia; Messaoudi, Kahia; Varghese, Leila N; Boukour, Siham; Pecquet, Christian; Gryshkova, Vitalina; Defour, Jean Philippe; Albu, Roxana-Irina; Bluteau, Olivier; Ballerini, Paola; Leverger, Guy; Plo, Isabelle; Debili, Najet; Raslova, Hana; Favier, Remi; Constantinescu, Stefan N; Vainchenker, William

2016-12-29

The mechanisms behind the hereditary thrombocytosis induced by the thrombopoietin (THPO) receptor MPL P106L mutant remain unknown. A complete trafficking defect to the cell surface has been reported, suggesting either weak constitutive activity or nonconventional THPO-dependent mechanisms. Here, we report that the thrombocytosis phenotype induced by MPL P106L belongs to the paradoxical group, where low MPL levels on platelets and mature megakaryocytes (MKs) lead to high serum THPO levels, whereas weak but not absent MPL cell-surface localization in earlier MK progenitors allows response to THPO by signaling and amplification of the platelet lineage. MK progenitors from patients showed no spontaneous growth and responded to THPO, and MKs expressed MPL on their cell surface at low levels, whereas their platelets did not respond to THPO. Transduction of MPL P106L in CD34 + cells showed that this receptor was more efficiently localized at the cell surface on immature than on mature MKs, explaining a proliferative response to THPO of immature cells and a defect in THPO clearance in mature cells. In a retroviral mouse model performed in Mpl -/- mice, MPL P106L could induce a thrombocytosis phenotype with high circulating THPO levels. Furthermore, we could select THPO-dependent cell lines with more cell-surface MPL P106L localization that was detected by flow cytometry and [ 125 I]-THPO binding. Altogether, these results demonstrate that MPL P106L is a receptor with an incomplete defect in trafficking, which induces a low but not absent localization of the receptor on cell surface and a response to THPO in immature MK cells. © 2016 by The American Society of Hematology.

Supply chain coordination with defective items and quantity discount

NASA Astrophysics Data System (ADS)

Lin, Hsien-Jen; Lin, Yu-Jen

2014-12-01

This study develops an integrated inventory system involving defective items and quantity discount for optimal pricing and ordering strategies. The model analysed in this study is one in which the buyer orders a quantity, the vendor produces more than buyer's order quantity in order to reduce set-up cost, and then he/she offers an all-units quantity discount to the buyer. Our objective is to determine the optimal order quantity, retail price, mark-up rate, and the number of shipments per production run from the vendor to the buyer, so that the entire supply chain joint total profit incurred has a maximum value. Furthermore, an algorithm of finding the optimal solution is developed. Numerical examples are provided to illustrate the theoretical results.

A three-dimensional optimal sawing system for small sawmills in central Appalachia

Treesearch

Wenshu Lin; Jingxin Wang; R. Edward. Thomas

2011-01-01

A three-dimensional (3D) log sawing optimization system was developed to perform 3D log generation, opening face determination, sawing simulation, and lumber grading. Superficial characteristics of logs such as length, large-end and small-end diameters, and external defects were collected from local sawmills. Internal log defect positions and shapes were predicted...

Bondonic effects in group-IV honeycomb nanoribbons with Stone-Wales topological defects.

PubMed

Putz, Mihai V; Ori, Ottorino

2014-04-03

This work advances the modeling of bondonic effects on graphenic and honeycomb structures, with an original two-fold generalization: (i) by employing the fourth order path integral bondonic formalism in considering the high order derivatives of the Wiener topological potential of those 1D systems; and (ii) by modeling a class of honeycomb defective structures starting from graphene, the carbon-based reference case, and then generalizing the treatment to Si (silicene), Ge (germanene), Sn (stannene) by using the fermionic two-degenerate statistical states function in terms of electronegativity. The honeycomb nanostructures present η-sized Stone-Wales topological defects, the isomeric dislocation dipoles originally called by authors Stone-Wales wave or SWw. For these defective nanoribbons the bondonic formalism foresees a specific phase-transition whose critical behavior shows typical bondonic fast critical time and bonding energies. The quantum transition of the ideal-to-defect structural transformations is fully described by computing the caloric capacities for nanostructures triggered by η-sized topological isomerisations. Present model may be easily applied to hetero-combinations of Group-IV elements like C-Si, C-Ge, C-Sn, Si-Ge, Si-Sn, Ge-Sn.

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.

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.

Deep Defects Seen on Visual Fields Spatially Correspond Well to Loss of Retinal Nerve Fiber Layer Seen on Circumpapillary OCT Scans.

PubMed

Mavrommatis, Maria A; Wu, Zhichao; Naegele, Saskia I; Nunez, Jason; De Moraes, Carlos; Ritch, Robert; Hood, Donald C

2018-02-01

To examine the structure-function relationship in glaucoma between deep defects on visual fields (VF) and deep losses in the circumpapillary retinal nerve fiber layer (cpRNFL) on optical coherence tomography (OCT) circle scans. Thirty two glaucomatous eyes with deep VF defects, as defined by at least one test location worse than ≤ -15 dB on the 10-2 and/or 24-2 VF pattern deviation (PD) plots, were included from 87 eyes with "early" glaucoma (i.e., 24-2 mean deviation better than -6 dB). Using the location of the deep VF points and a schematic model, the location of local damage on an OCT circle scan was predicted. The thinnest location of cpRNFL (i.e., deepest loss) was also determined. In 19 of 32 eyes, a region of complete or near complete cpRNFL loss was observed. All 19 of these had deep VF defects on the 24-2 and/or 10-2. All of the 32 eyes with deep VF defects had abnormal cpRNFL regions (red, 1%) and all but 2 had a region of cpRNFL thickness <21 μm. The midpoint of the VF defect and the location of deepest cpRNFL had a 95% limit of agreement within approximately two-thirds of a clock-hour (or 30°) sector (between -22.1° to 25.2°). Individual fovea-to-disc angle (FtoDa) adjustment improved agreement in one eye with an extreme FtoDa. Although studies relating local structural (OCT) and functional (VF) measures typically show poor to moderate correlations, there is good qualitative agreement between the location of deep cpRNFL loss and deep defects on VFs.

Fetal anterior abdominal wall defects: prenatal imaging by magnetic resonance imaging.

PubMed

Victoria, Teresa; Andronikou, Savvas; Bowen, Diana; Laje, Pablo; Weiss, Dana A; Johnson, Ann M; Peranteau, William H; Canning, Douglas A; Adzick, N Scott

2018-04-01

Abdominal wall defects range from the mild umbilical cord hernia to the highly complex limb-body wall syndrome. The most common defects are gastroschisis and omphalocele, and the rarer ones include the exstrophy complex, pentalogy of Cantrell and limb-body wall syndrome. Although all have a common feature of viscera herniation through a defect in the anterior body wall, their imaging features and, more important, postnatal management, differ widely. Correct diagnosis of each entity is imperative in order to achieve appropriate and accurate prenatal counseling and postnatal management. In this paper, we discuss fetal abdominal wall defects and present diagnostic pearls to aid with diagnosis.

Approximation of the Newton Step by a Defect Correction Process

NASA Technical Reports Server (NTRS)

Arian, E.; Batterman, A.; Sachs, E. W.

1999-01-01

In this paper, an optimal control problem governed by a partial differential equation is considered. The Newton step for this system can be computed by solving a coupled system of equations. To do this efficiently with an iterative defect correction process, a modifying operator is introduced into the system. This operator is motivated by local mode analysis. The operator can be used also for preconditioning in Generalized Minimum Residual (GMRES). We give a detailed convergence analysis for the defect correction process and show the derivation of the modifying operator. Numerical tests are done on the small disturbance shape optimization problem in two dimensions for the defect correction process and for GMRES.

Insulating Behavior in Graphene with Irradiation-induced Lattice Defects

NASA Astrophysics Data System (ADS)

Chen, Jian-Hao; Williams, Ellen; Fuhrer, Michael

2010-03-01

We irradiated cleaned graphene on silicon dioxide in ultra-high vacuum with low energy inert gas ions to produce lattice defects [1], and investigated in detail the transition from metallic to insulating temperature dependence of the conductivity as a function of defect density. We measured the low field magnetoresistance and temperature-dependent resistivity in situ and find that weak localization can only account for a small correction of the resistivity increase with decreasing temperature. We will discuss possible origins of the insulating temperature dependent resistivity in defected graphene in light of our recent experiments. [4pt] [1] Jian-Hao Chen, W. G. Cullen, C. Jang, M. S. Fuhrer, E. D. Williams, PRL 102, 236805 (2009)