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Sample records for frenkel defects

  1. One-Dimensional Poole-Frenkel Conduction in the Single Defect Limit.

    PubMed

    Pan, Deng; Fuller, Elliot J; Gül, O Tolga; Collins, Philip G

    2015-08-12

    A single point defect surrounded on either side by quasi-ballistic, semimetallic carbon nanotube is a nearly ideal system for investigating disorder in one-dimensional (1D) conductors and comparing experiment to theory. Here, individual single-walled nanotubes (SWNTs) are investigated before and after the incorporation of single point defects. Transport and local Kelvin Probe force microscopy independently demonstrate high-resistance depletion regions over 1.0 μm wide surrounding one point defect in semimetallic SWNTs. Transport measurements show that conductance through such wide depletion regions occurs via a modified, 1D version of Poole-Frenkel field-assisted emission. Given the breadth of theory dedicated to the possible effects of disorder in 1D systems, it is surprising that a Poole-Frenkel mechanism appears to describe defect scattering and resistance in this semimetallic system. PMID:26189911

  2. Metastable Frenkel pair defect in graphite: source of Wigner energy?

    PubMed

    Ewels, C P; Telling, R H; El-Barbary, A A; Heggie, M I; Briddon, P R

    2003-07-11

    The atomic processes associated with energy storage and release in irradiated graphite have long been subject to untested speculation. We examine structures and recombination routes for interstitial-vacancy (I-V) pairs in graphite. Interaction results in the formation of a new metastable defect (an intimate I-V pair) or a Stone-Wales defect. The intimate I-V pair, although 2.9 eV more stable than its isolated constituents, still has a formation energy of 10.8 eV. The barrier to recombination to perfect graphite is calculated to be 1.3 eV, consistent with the experimental first Wigner energy release peak at 1.38 eV. We expect similar defects to form in carbon nanostructures such as nanotubes, nested fullerenes, and onions under irradiation. PMID:12906489

  3. Metastable Frenkel Pair Defect in Graphite: Source of Wigner Energy?

    NASA Astrophysics Data System (ADS)

    Ewels, C. P.; Telling, R. H.; El-Barbary, A. A.; Heggie, M. I.; Briddon, P. R.

    2003-07-01

    The atomic processes associated with energy storage and release in irradiated graphite have long been subject to untested speculation. We examine structures and recombination routes for interstitial-vacancy (I-V) pairs in graphite. Interaction results in the formation of a new metastable defect (an intimate I-V pair) or a Stone-Wales defect. The intimate I-V pair, although 2.9eV more stable than its isolated constituents, still has a formation energy of 10.8eV. The barrier to recombination to perfect graphite is calculated to be 1.3eV, consistent with the experimental first Wigner energy release peak at 1.38eV. We expect similar defects to form in carbon nanostructures such as nanotubes, nested fullerenes, and onions under irradiation.

  4. Ab initio simulations on Frenkel pairs of radiation defects in corundum

    NASA Astrophysics Data System (ADS)

    Platonenko, A.; Piskunov, S.; Zhukovskii, Yu F.; Kotomin, E. A.

    2015-03-01

    Large scale first principles periodic calculations based on the density functional theory within the localized atomic orbital approach (DFT-LCAO) using the hybrid exchange- correlation potential B3PW have been performed in order to study the structural and electronic properties of radiation-induced Frenkel pairs Oi+VO in corundum crystal. As an initial approach, we have used conventional 2x2x1 supercell for defective α-Al2O3 lattice containing 120 atoms. After relaxation of the ideal supercell structure, the optimized doi-vo distance has been found to be ~4.5 Å while the formation energy of Frenkel pair has achieved 11.7 eV. The interstitial Oi atom, both single and a component of Oi+VO pair, spontaneously forms a dumbbell with the adjacent atom in the regular oxygen sublattice (doi-o = 1.404 Å) with the induced charge -1.1 e. On the whole, possibilities of supercell model for proper description of Frenkel pairs with changing inter-defect distance and space orientation inside corundum crystal are rather limited. This is why the alternative cluster model must be developed for this aim.

  5. Creation and clustering of Frenkel defects at high density of electronic excitations in wide-gap materials

    NASA Astrophysics Data System (ADS)

    Lushchik, A.; Lushchik, Ch.; Schwartz, K.; Savikhin, F.; Shablonin, E.; Shugai, A.; Vasil'chenko, E.

    2012-04-01

    A complex nature of the dependence of the intensity of intrinsic or impurity emission on the excitation density by single electron pulses is determined by the existence or absence of self-trapped holes and/or excitons in ZnS, BaF2, MgO, BeO and Al2O3. A powerful electron (300 keV) or ion (Au, U, ∼2 GeV) irradiation of pure and doped LiF, MgO and Al2O3 crystals induces the optical absorption, certain high-temperature annealing stages of which appear only under high LET conditions. Swift-ion-irradiation causes drastic changes in the spectrum of fundamental reflection of LiF, especially in the region of the exciton resonance. The irradiation providing high density of electronic excitations (LET > 20 keV/nm) leads not only to the creation of stable Frenkel defects but also to the excitation of a whole group of crystal ions, thus, causing the creation of bivacancies, lithium and fluorine interstitials as well as their associations/clusters.

  6. Ground state energy of N Frenkel excitons

    NASA Astrophysics Data System (ADS)

    Pogosov, W.; Combescot, M.

    2009-03-01

    By using the composite many-body theory for Frenkel excitons we have recently developed, we here derive the ground state energy of N Frenkel excitons in the Born approximation through the Hamiltonian mean value in a state made of N identical Q = 0 excitons. While this quantity reads as a density expansion in the case of Wannier excitons, due to many-body effects induced by fermion exchanges between N composite particles, we show that the Hamiltonian mean value for N Frenkel excitons only contains a first order term in density, just as for elementary bosons. Such a simple result comes from a subtle balance, difficult to guess a priori, between fermion exchanges for two or more Frenkel excitons appearing in Coulomb term and the ones appearing in the N exciton normalization factor - the cancellation being exact within terms in 1/Ns where Ns is the number of atomic sites in the sample. This result could make us naively believe that, due to the tight binding approximation on which Frenkel excitons are based, these excitons are just bare elementary bosons while their composite nature definitely appears at various stages in the precise calculation of the Hamiltonian mean value.

  7. Poole-frenkel piezoconductive element and sensor

    DOEpatents

    Habermehl, Scott D.

    2004-08-03

    A new class of highly sensitive piezoconductive strain sensor elements and sensors has been invented. The new elements function under conditions such that electrical conductivity is dominated by Poole-Frenkel transport. A substantial piezoconductive effect appears in this regime, allowing the new sensors to exhibit sensitivity to applied strain as much as two orders of magnitude in excess of prior art sensors based on doped silicon.

  8. Frenkel line and solubility maximum in supercritical fluids.

    PubMed

    Yang, C; Brazhkin, V V; Dove, M T; Trachenko, K

    2015-01-01

    A new dynamic line, the Frenkel line, has recently been proposed to separate the supercritical state into rigid-liquid and nonrigid gaslike fluid. The location of the Frenkel line on the phase diagram is unknown for real fluids. Here we map the Frenkel line for three important systems: CO(2), H(2)O, and CH(4). This provides an important demarcation on the phase diagram of these systems, the demarcation that separates two distinct physical states with liquidlike and gaslike properties. We find that the Frenkel line can have a similar trend as the melting line above the critical pressure. Moreover, we discuss the relationship between unexplained solubility maxima and Frenkel line, and we propose that the Frenkel line corresponds to the optimal conditions for solubility. PMID:25679575

  9. Poole-Frenkel conduction in polycrystalline diamond

    NASA Astrophysics Data System (ADS)

    Gonon, P.; Boiko, Y.; Prawer, S.; Jamieson, D.

    1996-04-01

    High-field electrical conduction has been studied in undoped polycrystalline diamond over a wide temperature range. The current increases exponentially with the electric field with an exponential factor which increases linearly with the inverse of temperature. The activation energy of the conductivity is found to be strongly field dependent and to decrease linearly with the electric field. The experimental data support a Poole-Frenkel conduction with overlapping centers. The centers are found to be located at around 1.1 eV from the band edge with a density of about 2×1017 cm-3.

  10. [Frenkel: one of the forerunners of neurorehabilitation?].

    PubMed

    Cano-de-la-Cuerda, R

    2016-07-16

    Neurorehabilitation is understood as the process intended to reduce the deficiency, limitation of activity and restriction of participation experienced by people as a result of a neurological diseases, and where the professionals involved in this field will aim to reduce the functional involvement degree of the patient. Due to the ignorance existed about the plastic capacity in the nervous system in humans, the scientific origins of neurological rehabilitation is relatively recent, which are located around the Second World War. However, there are signs that the neurologist Heinrich Sebastian Frenkel (1860-1931) was able to establish the basis of neurorehabilitation before that time. There are historical concerning regarding the work conducted and published by Frenkel that would support the hypothesis, based on the characteristics of their treatment employed and documented methodologies, that what he called 'Ubungstherapie' (neurological gymnastic), it could be considered as the basis of what we consider today as modern neurorehabilitation. This knowledge could have been used by many authors who introduced those experiences and lessons learned to the multiple therapeutic methods that emerged after, even the most innovative and technological, while the roots of neurorehabilitation could be found at the end of the 19th century. PMID:27377984

  11. Superradiance of High Density Frenkel Excitons at Room Temperature

    NASA Astrophysics Data System (ADS)

    Wang, H. Z.; Zheng, X. G.; Zhao, F. L.; Gao, Z. L.; Yu, Z. X.

    1995-05-01

    Superradiance of high density Frenkel excitons in an R-phycoerythrin single crystal is observed at room temperature for the first time. No fluorescence is observed except the emission at the sharp exciton band when the superradiance of excitons occurs, and the higher the pump density, the sharper the emission bandwidth. A redshift and a blueshift are observed at the rise time and the fall time of the emission pulse, respectively. The experimental results also imply deformed-boson properties of high density Frenkel excitons.

  12. N vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in TiN studied by ab-initio and classical molecular dynamics

    NASA Astrophysics Data System (ADS)

    Sangiovanni, Davide G.; Alling, Björn; Hultman, Lars; Abrikosov, Igor A.

    2015-03-01

    We use ab-initio and classical molecular dynamics (AIMD, CMD) to simulate diffusion of N vacancy and N self-interstitial point-defects in B1 TiN. The physical properties of TiN, important material system for thin film and coatings applications, are largely dictated by concentration and mobility of point defects. We determine N dilute-point-defect diffusion pathways, activation energies, attempt frequencies, and diffusion coefficients as a function of temperature. In addition, MD simulations reveal an unanticipated atomistic process, which controls the spontaneous formation of N-self-interstitial/N-vacancy pairs (Frenkel pairs) in defect-free TiN. This entails that a N lattice atom leaves its bulk position and bonds to a neighboring N lattice atom. In most cases, Frenkel-pair NI and NV recombine within a fraction of ns; 50% of these processes result in the exchange of two nitrogen lattice atoms. Occasionally, however, Frenkel-pair N-interstitial atoms permanently escape from the anion vacancy site, thus producing unpaired NI and NV point defects. The Knut and Alice Wallenberg foundation (Isotope Project, 2011.0094), the Swedish Research Council (VR) Linköping Linnaeus Initiative LiLi-NFM (Grant 2008-6572), and the Swedish Government Strategic Research (Grant MatLiU 2009-00971).

  13. Thermodynamic properties of supercritical carbon dioxide: Widom and Frenkel lines.

    PubMed

    Fomin, Yu D; Ryzhov, V N; Tsiok, E N; Brazhkin, V V

    2015-02-01

    Supercritical fluids are widely used in a number of important technological applications, yet the theoretical progress in the field has been rather moderate. Fairly recently, a new understanding of the liquidlike and gaslike properties of supercritical fluids has come to the fore, particularly with the advent of the Widom and Frenkel lines that aim to demarcate different physical properties on the phase diagram. Here, we report the results of a computational study of supercritical carbon dioxide, one of the most important fluids in the chemical industry. We study the response functions of CO_{2} in the supercritical state and calculate the locations of their maxima (Widom lines). We also report the preliminary calculations of the Frenkel line, the line of crossover of microscopic dynamics of particles. Our insights are relevant to physical processes in the atmosphere of Venus and its evolution. PMID:25768462

  14. Driven kink in the Frenkel-Kontorova model

    NASA Astrophysics Data System (ADS)

    Braun, O. M.; Hu, Bambi; Zeltser, A.

    2000-09-01

    The dynamics of dc driven chain of harmonically interacting atoms in the external sinusoidal potential (the Frenkel-Kontorova model) is studied. It is shown that in the underdamped case the motion of the topological soliton (kink) becomes unstable at a high velocity due to excitation of the localized intrinsic kink mode (the discrete shape mode, or discrete breather) in the kink tail. When the amplitude of the breather's oscillation becomes large enough, it decays into a kink-antikink pair. The subsequent collision of newly created kink and antikink leads to a sharp transition to the running state, where all atoms of the chain slide over the external potential almost freely.

  15. Swelling Mechanisms of UO2 Lattices with Defect Ingrowths

    PubMed Central

    Günay, Seçkin D.

    2015-01-01

    The swelling that occurs in uranium dioxide as a result of radiation-induced defect ingrowth is not fully understood. Experimental and theoretical groups have attempted to explain this phenomenon with various complex theories. In this study, experimental lattice expansion and lattice super saturation were accurately reproduced using a molecular dynamics simulation method. Based on their resemblance to experimental data, the simulation results presented here show that fission induces only oxygen Frenkel pairs while alpha particle irradiation results in both oxygen and uranium Frenkel pair defects. Moreover, in this work, defects are divided into two sub-groups, obstruction type defects and distortion type defects. It is shown that obstruction type Frenkel pairs are responsible for both fission- and alpha-particle-induced lattice swelling. Relative lattice expansion was found to vary linearly with the number of obstruction type uranium Frenkel defects. Additionally, at high concentrations, some of the obstruction type uranium Frenkel pairs formed diatomic and triatomic structures with oxygen ions in their octahedral cages, increasing the slope of the linear dependence. PMID:26244777

  16. Swelling Mechanisms of UO2 Lattices with Defect Ingrowths.

    PubMed

    Günay, Seçkin D

    2015-01-01

    The swelling that occurs in uranium dioxide as a result of radiation-induced defect ingrowth is not fully understood. Experimental and theoretical groups have attempted to explain this phenomenon with various complex theories. In this study, experimental lattice expansion and lattice super saturation were accurately reproduced using a molecular dynamics simulation method. Based on their resemblance to experimental data, the simulation results presented here show that fission induces only oxygen Frenkel pairs while alpha particle irradiation results in both oxygen and uranium Frenkel pair defects. Moreover, in this work, defects are divided into two sub-groups, obstruction type defects and distortion type defects. It is shown that obstruction type Frenkel pairs are responsible for both fission- and alpha-particle-induced lattice swelling. Relative lattice expansion was found to vary linearly with the number of obstruction type uranium Frenkel defects. Additionally, at high concentrations, some of the obstruction type uranium Frenkel pairs formed diatomic and triatomic structures with oxygen ions in their octahedral cages, increasing the slope of the linear dependence. PMID:26244777

  17. Emergent friction in two-dimensional Frenkel-Kontorova models

    NASA Astrophysics Data System (ADS)

    Norell, Jesper; Fasolino, Annalisa; de Wijn, Astrid S.

    2016-08-01

    Simple models for friction are typically one-dimensional, but real interfaces are two-dimensional. We investigate the effects of the second dimension on static and dynamic friction by using the Frenkel-Kontorova (FK) model. We study the two most straightforward extensions of the FK model to two dimensions and simulate both the static and dynamic properties. We show that the behavior of the static friction is robust and remains similar in two dimensions for physically reasonable parameter values. The dynamic friction, however, is strongly influenced by the second dimension and the accompanying additional dynamics and parameters introduced into the models. We discuss our results in terms of the thermal equilibration and phonon dispersion relations of the lattices, establishing a physically realistic and suitable two-dimensional extension of the FK model. We find that the presence of additional dissipation channels can increase the friction and produces significantly different temperature dependence when compared to the one-dimensional case. We also briefly study the anisotropy of the dynamic friction and show highly nontrivial effects, including that the friction anisotropy can lead to motion in different directions depending on the value of the initial velocity.

  18. Interview with Daan Frenkel, Boltzmann Medallist 2016 : Simulating soft matter through the lens of statistical mechanics.

    PubMed

    Frenkel, Daan; Louët, Sabine

    2016-06-01

    Daan Frenkel has been awarded the most important prize in the field of statistical mechanics, the 2016 Boltzmann Medal, named after the Austrian physicist and philosopher Ludwig Boltzmann. The award recognises Frenkel's seminal contributions to the statistical-mechanical understanding of the kinetics, self-assembly and phase behaviour of soft matter. The honour recognises Frenkel's highly creative large-scale simulations of soft matter capable of explaining the self-assembly of complex macromolecular systems, colloidal and biomolecular systems. Frenkel is Professor of Theoretical Chemistry at the University of Cambridge, UK and has been Editor in Chief of EPJE between 2010 and 2014. The award will be given to both Frenkel and his French colleague Yves Pomeau, during the StatPhys Conference on 20th July 2016 in Lyon, France. In this interview with Sabine Louët, Frenkel gives his views on statistical physics, which has become more relevant than ever for interdisciplinary research. He also offers some pearls of wisdom for the next generation Statistical Mechanics experts. PMID:27349557

  19. Ab initio analysis of the defect structure of ceria

    NASA Astrophysics Data System (ADS)

    Zacherle, T.; Schriever, A.; De Souza, R. A.; Martin, M.

    2013-04-01

    We calculated the formation energies of all simple point defects in cubic fluorite structured CeO2 using density functional theory within the GGA+U approximation. All possible defect charge states were considered, and also polarons CeCe' and associates of polarons with oxygen vacancies: (VO··-CeCe')· and (CeCe'-VO··-CeCe')×. From the individual defect energies, we extracted Schottky, Frenkel, and anti-Frenkel energies: we find that anti-Frenkel disorder has the lowest energy in ceria. Energies for the reduction and the hydration of ceria are also computed, and the results are in good agreement with experiment. Finally, point-defect concentrations and conductivities are predicted for undoped and donor-doped systems as a function of oxygen partial pressure and temperature. The characteristic slopes found in experiment are reproduced.

  20. Study of the Effect of Ellipsoidal Shape on the Kern and Frenkel Patch Model

    NASA Astrophysics Data System (ADS)

    Nguyen, Thienbao; Gunton, James; Rickman, Jeffrey

    In their work on the self-assembly of complex structures, Glotzer and Solomon (Nature Materials 6, 557 - 562 (2007)) identified both interaction and shape anisotropy as two of several means to build complex structures. Advances in fabricating materials and new insights into protein biology have revealed the importance of these types of interactions. The Kern and Frenkel (J. Chem. Phys. 118, 9882 (2003) model of hard spheres carrying interaction patches of various sizes has been used extensively to describe interaction anisotropies important in protein phase transitions. However their model did not also account for shape anisotropy. We studied the role of both shape and interaction anisotropy by applying N=2 and N=4 attractive Kern and Frenkel patches with an interaction range to hard ellipsoids with various aspect ratios and patch coverages. Following Kern and Frenkel, we studied the liquid-liquid phase separation of our particles using a Monte Carlo simulation. We found the critical temperatures for our model using the approximate law of rectilinear diameter and compared them with the original results of Kern and Frenkel. We found that the critical temperatures increased both with aspect ratio and percent coverage. G Harold and Leila Y Mathers Foundation.

  1. Molecular Dynamics Simulation of Defect Production in Collision Cascades in Zircon

    SciTech Connect

    Devanathan, Ram; Corrales, Louis R.; Weber, William J.; Chartier, Alain; Meis, Constantin

    2005-01-01

    Defect production in collision cascades in zircon has been examined by molecular dynamics simulations using a partial charge model combined with the Ziegler-Biersack-Littmark potential. U, Zr, Si and O recoils with energies ranging from 250 eV to 5 keV were simulated in the NVE ensemble. To obtain good statistics, 5-10 cascades in randomly chosen directions were simulated for each ion and energy. The damage consists of mainly Si and O Frenkel pairs, a smaller number of Zr Frenkel pairs, and Zr on Si antisite defects. Defect production, interstitial clustering, ion beam mixing and Si-O-Si polymerization increase with PKA mass and energy.

  2. Specific features of the hybridization of Frenkel and Wannier-Mott excitons in a microcavity

    NASA Astrophysics Data System (ADS)

    Dubovskii, O. A.; Agranovich, V. M.

    2016-07-01

    Polariton states have been investigated in a microcavity, where the energy of the Frenkel exciton in an organic quantum well and the energy of the semiconductor Wannier-Mott exciton in an inorganic quantum well are close to the microcavity optical mode. It has been shown that the interaction of each of these excitons with the microcavity optical mode leads to their interaction with each other and to the formation of mutually coupled hybrid excitations. The influence of the location of the quantum wells in a microcavity on the spectra of hybrid states with different polarizations has been analyzed.

  3. Numerical studies of the trapping of Frenkel excitons in one-dimensional systems

    NASA Astrophysics Data System (ADS)

    Huber, D. L.; Ching, W. Y.

    1990-10-01

    Numerical studies of the trapping of Frenkel excitons on a one-dimensional lattice are reported. The effects of trapping are introduced through a non-Hermitian decay term in the Hamiltonian. Each of the traps, which are assumed to occupy interstitial positions, can receive excitation from a single center. The equations of motion for the exciton correlation functions of a finite array of centers are integrated to obtain the decay of the k = 0 mode and the probability of finding an exciton in any mode, following excitation of the k = 0 mode. Results for the latter are compared with the predictions of calculations by Hemenger and Pearlstein.

  4. Recoil Induced Room Temperature Stable Frenkel Pairs in a-Hafnium Upon Thermal Neutron Capture

    NASA Astrophysics Data System (ADS)

    Butz, Tilman; Das, Satyendra K.; Dey, Chandi C.; Ghoshal, Shamik

    2013-11-01

    Ultrapure hafnium metal (110 ppm zirconium) was neutron activated with a thermal neutron flux of 6:6 · 1012 cm-2s-1 in order to obtain 181Hf for subsequent time differential perturbed angular correlation (TDPAC) experiments using the nuclear probe 181Hf(β-) 181Ta. Apart from the expected nuclear quadrupole interaction (NQI) signal for a hexagonal close-packed (hcp) metal, three further discrete NQIs were observed with a few percent fraction each. The TDPAC spectra were recorded for up to 11 half lives with extreme statistical accuracy. The fitted parameters vary slightly within the temperature range between 248 K and 373 K. The signals corresponding to the three additional sites completely disappear after `annealing' at 453 K for one minute. Based on the symmetry of the additional NQIs and their temperature dependencies, they are tentatively attributed to Frenkel pairs produced by recoil due to the emission of a prompt 5:694 MeV -ray following thermal neutron capture and reported by the nuclear probe in three different positions. These Frenkel pairs are stable up to at least 373 K.

  5. Low-temperature dynamics of weakly localized Frenkel excitons in disordered linear chains.

    PubMed

    Bednarz, M; Malyshev, V A; Knoester, J

    2004-02-22

    We calculate the temperature dependence of the fluorescence Stokes shift and the fluorescence decay time in linear Frenkel exciton systems resulting from the thermal redistribution of exciton population over the band states. The following factors, relevant to common experimental conditions, are accounted for in our kinetic model: (weak) localization of the exciton states by static disorder, coupling of the localized excitons to vibrations in the host medium, a possible nonequilibrium of the subsystem of localized Frenkel excitons on the time scale of the emission process, and different excitation conditions (resonant or nonresonant). A Pauli master equation, with microscopically calculated transition rates, is used to describe the redistribution of the exciton population over the manifold of localized exciton states. We find a counterintuitive nonmonotonic temperature dependence of the Stokes shift. In addition, we show that depending on experimental conditions, the observed fluorescence decay time may be determined by vibration-induced intraband relaxation, rather than radiative relaxation to the ground state. The model considered has relevance to a wide variety of materials, such as linear molecular aggregates, conjugated polymers, and polysilanes. PMID:15268548

  6. Ultrafast Spectroscopy Reveals Frenkel-CT Mixed Excitonic States in Copper Phthalocyanine

    NASA Astrophysics Data System (ADS)

    Younts, Robert; McAfee, Terry; Gautam, Bhoj; Dougherty, Daniel; Ade, Harald; Gundogdu, Kenan

    In organic semiconducting systems, intermolecular charge transport and energy diffusion take place along the π- π stacking direction, which is beneficial for opto-electronic devices. Therefore it is essential to study electronic state structure in the π- π stacking direction in organic solids. We studied a model quasi-one-dimensional molecular crystal copper phthalocyanine, which has strong intermolecular coupling along the π- π stack. In this work, we used polarization resolved transient absorption spectroscopy and identified the coupling of low-lying singlet Frenkel (intramolecular) excitons with CT (intermolecular) excitons. Our study shows an evolution between localized and delocalized excitations which can be utilized to tune charge transport properties in molecular crystals. These studies provide fundamental understanding of electronic state structures, which will be essential for tailoring electronic properties of desired applications.

  7. External pumping of hybrid nanostructures in microcavity with Frenkel and Wannier-Mott excitons

    NASA Astrophysics Data System (ADS)

    Dubovskiy, O. A.; Agranovich, V. M.

    2016-09-01

    The exciton-exciton interaction in hybrid nanostructures with resonating Frenkel and Wannier-Mott excitons was investigated in many publications. In microcavity the hybrid nanostructures can be exposed to different types of optical pumping, the most common one being pumping through one of the microcavity side. However, not investigated and thus never been discussed the hybrid excitons generation by pumping of confined quantum wells from the side of empty microcavity without nanostructures in a wave guided configuration. Here, we consider the hybrid excitations in cavity with organic and inorganic quantum wells and with different types of pumping from external source. The frequency dependence for intensity of excitations in hybrid structure is also investigated. The results may be used for search of most effective fluorescence and relaxation processes. The same approach may be used when both quantum wells are organic or inorganic.

  8. Transition from Static to Dynamic Macroscopic Friction in the Framework of the Frenkel-Kontorova Model (aplication to Crustal Earthquake)

    NASA Astrophysics Data System (ADS)

    Gershenzon, N. I.; Bambakidis, G.

    2011-12-01

    A new generation of experiments on dry macroscopic friction [1-4] has revealed that the transition from static to dynamic friction is essentially a spatially and temporally nonuniform process, initiated by a rupture-like detachment front. We show the suitability of the Frenkel-Kontorova model for describing this transition. The model developed predicts the existence of two types of detachment fronts, explaining both the variability and abrupt change of the velocity observed in experiments. The quantitative relation obtained between the velocity of the detachment front and the ratio of shear to normal stress is consistent with experiments (see Figure 1). The model provides a functional dependence (algebraic relations) between slip velocity and shear stress, and predicts that slip velocity is independent of normal stress. Paradoxically transition from static to dynamic friction does not depend explicitly on both static and dynamic friction coefficients even so the beginning and termination of transition process are controlled by those coefficients. In the proposed model, friction occurs due to movement of a certain type of defect (i.e. a dislocation or slip pulse) nucleated on the frictional surfaces by the presence of asperities. This constitutes a fundamental distinction between our approach to macro-friction and the approaches of others such as the Burridge-Knopoff and rate-and-state types of models. The model is suitable to describe quantitatively the relations between kinematic and dynamic parameters of the rupture process during a crustal earthquake [5]. These relations will be demonstrated on 2004 Parkfield earthquake. [1] S. M. Rubinstein, G. Cohen, and J. Fineberg, Nature (London) 430, 1005 (2004) [2] S. M. Rubinstein, G. Cohen, and J. Fineberg, Phys. Rev. Lett. 98, 226103 (2007) [3] O. Ben-David, S.M. Rubinstein and J. Fineberg, Nature 463, 76 (2010) [4] O. Ben-David, G. Cohen, J. Fineberg, Science 330, 211 (2010), DOI: 10.1126/science.1194777 [5] N

  9. Electronic effects of defects in one-dimensional channels

    NASA Astrophysics Data System (ADS)

    Fuller, Elliot J.; Pan, Deng; Corso, Brad L.; Gul, O. Tolga; Collins, Philip G.

    2013-09-01

    As electronic devices shrink to the one-dimensional limit, unusual device physics can result, even at room temperature. Nanoscale conductors like single-walled carbon nanotubes (SWNTs) are particularly useful tools for experimentally investigating these effects. Our characterization of point defects in SWNTs has focused on these electronic consequences. A single scattering site in an otherwise quasi-ballistic SWNT introduces resistance, transconductance, and chemical sensitivity, and here we investigate these contributions using a combination of transport and scanning probe techniques. The transport measurements determine the two-terminal contributions over a wide range of bias, temperature, and environmental conditions, while the scanning probe work provides complementary confirmation that the effects originate at a particular site along the conduction path in a SWNT. Together, the combination proves that single point defects behave like scattering barriers having Poole-Frenkel transport characteristics. The Poole-Frenkel barriers have heights of 10 - 30 meV and gate-dependent widths that grow as large as 1 μm due to the uniquely poor screening in one dimension. Poole-Frenkel characteristics suggest that the barriers contain at least one localized electronic state, and that this state primarily contributes to conduction under high bias or high temperature conditions. Because these localized states vary from one device to another, we hypothesize that each might be unique to a particular defect's chemical type.

  10. Experimental Study of Spectral Properties of a Frenkel-Kontorova System

    NASA Astrophysics Data System (ADS)

    Lucci, M.; Badoni, D.; Merlo, V.; Ottaviani, I.; Salina, G.; Cirillo, M.; Ustinov, A. V.; Winkler, D.

    2015-09-01

    We report on microwave emission from linear parallel arrays of underdamped Josephson junctions, which are described by the Frenkel-Kontorova (FK) model. Electromagnetic radiation is detected from the arrays when biased on current singularities (steps) appearing at voltages Vn=Φ0(n c ¯ /L ) , where Φ0=2.07 ×10-15 Wb is the magnetic flux quantum, and c ¯, L , and n are, respectively, the speed of light in the transmission line embedding the array, L its physical length, and n an integer. The radiation, detected at fundamental frequency c ¯ /2 L when biased on different singularities, indicates shuttling of bunched 2 π kinks (magnetic flux quanta). Resonance of flux-quanta motion with the small-amplitude oscillations induced in the arrays gives rise to fine structures in the radiation spectrum, which are interpreted on the basis of the FK model describing the resonance. The impact of our results on design and performances of new digital circuit families is discussed.

  11. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    SciTech Connect

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.

  12. Strain waves, earthquakes, slow earthquakes, and afterslip in the framework of the Frenkel-Kontorova model.

    PubMed

    Gershenzon, N I; Bykov, V G; Bambakidis, G

    2009-05-01

    The one-dimensional Frenkel-Kontorova (FK) model, well known from the theory of dislocations in crystal materials, is applied to the simulation of the process of nonelastic stress propagation along transform faults. Dynamic parameters of plate boundary earthquakes as well as slow earthquakes and afterslip are quantitatively described, including propagation velocity along the strike, plate boundary velocity during and after the strike, stress drop, displacement, extent of the rupture zone, and spatiotemporal distribution of stress and strain. The three fundamental speeds of plate movement, earthquake migration, and seismic waves are shown to be connected in framework of the continuum FK model. The magnitude of the strain wave velocity is a strong (almost exponential) function of accumulated stress or strain. It changes from a few km/s during earthquakes to a few dozen km per day, month, or year during afterslip and interearthquake periods. Results of the earthquake parameter calculation based on real data are in reasonable agreement with measured values. The distributions of aftershocks in this model are consistent with the Omori law for temporal distribution and a 1/r for the spatial distributions. PMID:19518576

  13. Frenkel-Halsey-Hill equation, dimensionality of adsorption, and pore anisotropy.

    PubMed

    Pomonis, Philippos J; Tsaousi, Eleni T

    2009-09-01

    The Frenkel-Halsey-Hill (FHH) equation V/V(m) approximately [log(P(0)/P)](-1/s) is revisited in relation to the meaning of its exponent in a specific intermediate range of pressure where capillary condensation occurs. It has been suggested in the past that plots of the form log V = constant - (D - 3)[loglog(P(0)/P)], or its equivalent log S = const - (D - 2) log r, can be used for the estimation of the dimensionality D of the adsorbing surface from those parts of the slopes at low pressure corresponding to straight lines. In the present study it is shown that, for pores of cylindrical geometry and at a specific range of pressure where those pores are filled-up during the process of capillary condensation, the local slopes d log V/d loglog[(P(0)/P)] or d log S/d log r, of plots similar to the above, may be used to estimate the pore anisotropy b of the adsorbing space from the relationships log b = [[d log V/d loglog[(P(0)/P)] - 3] log(0.5r) or log b = [[d log S/d log r] - 2] log(0.5r). These observations lead to the physicogeometrical conjunction that, during capillary condensation in cylindrical pores, usually assumed in nitrogen porosimetry, the scaling dimension of pore anisotropy b, scaled in units of radius r, is related to the dimensionality D of the process. PMID:19705894

  14. Experimental Study of Spectral Properties of a Frenkel-Kontorova System.

    PubMed

    Lucci, M; Badoni, D; Merlo, V; Ottaviani, I; Salina, G; Cirillo, M; Ustinov, A V; Winkler, D

    2015-09-01

    We report on microwave emission from linear parallel arrays of underdamped Josephson junctions, which are described by the Frenkel-Kontorova (FK) model. Electromagnetic radiation is detected from the arrays when biased on current singularities (steps) appearing at voltages V(n)=Φ(0)(nc̅/L), where Φ(0)=2.07×10(-15)  Wb is the magnetic flux quantum, and c̅, L, and n are, respectively, the speed of light in the transmission line embedding the array, L its physical length, and n an integer. The radiation, detected at fundamental frequency c̅/2L when biased on different singularities, indicates shuttling of bunched 2π kinks (magnetic flux quanta). Resonance of flux-quanta motion with the small-amplitude oscillations induced in the arrays gives rise to fine structures in the radiation spectrum, which are interpreted on the basis of the FK model describing the resonance. The impact of our results on design and performances of new digital circuit families is discussed. PMID:26382697

  15. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    NASA Astrophysics Data System (ADS)

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-01

    We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

  16. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    DOE PAGESBeta

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

  17. Spin dynamics in the Frenkel model with allowance for the variation of the inertial properties of the electron

    NASA Astrophysics Data System (ADS)

    Lebedev, S. L.

    2015-05-01

    The equations of motion of the Frenkel model at γ ≫ 1, a e ≲- χ ≪ 1 (where γ is the Lorentz factor, a e = 1/2( g - 2), and χ = √( eF μν p ν)2/ m {/e 3} result in the generalization of the Lorentz and Bargmann-Michel-Telegdi equations. The modification is due to the Frenkel addition m Fr to the mass of the electron and can be of interest for currently planned experiments with relativistic beams. The derived Frenkel-Bargmann-Michel-Telegdi equation contains a longitudinal part with a time-dependent coefficient, which is nonzero at g = 2. In the case of constant background fields, the equations of trajectory and spin can be integrated with a required accuracy if the antiderivative of the function m Fr(τ) is known. A new representation of the spin-orbit contribution Δ m so to the mass shift has been found in terms of the geometric invariants of world lines. It has been shown that the rate of variation of Δ m so is determined by a e + m Fr/ m e . The possibility of the periodic variation of spin light along the trajectory of beam has been indicated.

  18. Using Defects in Materials to Store Energy: a Theoretical Study

    NASA Astrophysics Data System (ADS)

    Lu, I.-Te; Bernardi, Marco

    We study the energy stored by defects in materials using density functional theory (DFT) calculations. Leveraging experimental data to estimate the energy density of defects, expressed as the defect formation energy per unit volume (units of MJ/L) or weight (units of MJ/kg), we identify candidates for high energy density storage, including tungsten, diamond, graphite, silicon, and graphene. DFT calculations are applied to these materials to study the formation energy of vacancies, interstitials, and Frenkel pairs. Our results indicate that the energy density stored by defects in these materials, with experimentally accessible non-equilibrium defect concentrations, can be higher than that of common energy storage technologies such as lithium batteries and supercapacitors. We discuss storage of solar energy and electrical energy (through ion bombardment) using defects.

  19. Ab Initio Study of Defect Properties in YPO4

    SciTech Connect

    Gao, Fei; Xiao, Haiyan Y.; Zhou, Yungang; Devanathan, Ramaswami; Hu, Shenyang Y.; Li, Yulan; Sun, Xin; Khaleel, Mohammad A.

    2012-03-01

    Ab initio methods based on density functional theory have been used to calculate the formation energies of intrinsic defects, including vacancies, interstitials, antisites and Frenkel pairs in YPO4 under the O-rich and Y2O3-rich, and the O-rich and Y-rich conditions. The larger size of the yttrium atom may give rise to higher formation energy of the phosphorus antisite defect. In general, the formation energies of anion interstitials are much smaller than those of cation interstitials for both conditions considered. It is of greatly interest to find that the relative stabilities among the same types of interstitials are independent of the reference states. The most stable configuration for oxygen interstitials is an O-O split interstitial near the Ta site, while the most stable configuration for cation interstitials is a tetrahedral interstitial near the Ta site. The cation split interstitials are unfavorable in YPO4, with much higher formation energies. Furthermore, the properties of Frenkel pairs are compared with those calculated using empirical potentials. The results reveal that both ab initio and empirical potential calculations show a similar trend in the formation energies of Frenkel pairs, but the formation energies obtained by empirical potentials are much larger than those calculated by ab initio method.

  20. Poole-Frenkel-effect as dominating current mechanism in thin oxide films—An illusion?!

    NASA Astrophysics Data System (ADS)

    Schroeder, Herbert

    2015-06-01

    In many of the publications, over 50 per year for the last five years, the Poole-Frenkel-effect (PFE) is identified or suggested as dominating current mechanism to explain measured current-electric field dependencies in metal-insulator-metal (MIM) thin film stacks. Very often, the insulating thin film is a metal oxide as this class of materials has many important applications, especially in information technology. In the overwhelming majority of the papers, the identification of the PFE as dominating current mechanism is made by the slope of the current-electric field curve in the so-called Poole-Frenkel plot, i.e., logarithm of current density, j, divided by the applied electric field, F, versus the square root of that field. This plot is suggested by the simplest current equation for the PFE, which comprises this proportionality (ln(j/F) vs. F1/2) leading to a straight line in this plot. Only one other parameter (except natural constants) may influence this slope: the optical dielectric constant of the insulating film. In order to identify the importance of the PFE simulation studies of the current through MIM stacks with thin insulating films were performed and the current-electric field curves without and with implementation of the PFE were compared. For the simulation, an advanced current model has been used combining electronic carrier injection/ejection currents at the interfaces, described by thermionic emission, with the carrier transport in the dielectric, described by drift and diffusion of electrons and holes in a wide band gap semiconductor. Besides the applied electric field (or voltage), many other important parameters have been varied: the density of the traps (with donor- and acceptor-like behavior); the zero-field energy level of the traps within the energy gap, this energy level is changed by the PFE (also called internal Schottky effect); the thickness of the dielectric film; the permittivity of the dielectric film simulating different oxide

  1. Poole-Frenkel-effect as dominating current mechanism in thin oxide films—An illusion?!

    SciTech Connect

    Schroeder, Herbert

    2015-06-07

    In many of the publications, over 50 per year for the last five years, the Poole-Frenkel-effect (PFE) is identified or suggested as dominating current mechanism to explain measured current–electric field dependencies in metal-insulator-metal (MIM) thin film stacks. Very often, the insulating thin film is a metal oxide as this class of materials has many important applications, especially in information technology. In the overwhelming majority of the papers, the identification of the PFE as dominating current mechanism is made by the slope of the current–electric field curve in the so-called Poole-Frenkel plot, i.e., logarithm of current density, j, divided by the applied electric field, F, versus the square root of that field. This plot is suggested by the simplest current equation for the PFE, which comprises this proportionality (ln(j/F) vs. F{sup 1/2}) leading to a straight line in this plot. Only one other parameter (except natural constants) may influence this slope: the optical dielectric constant of the insulating film. In order to identify the importance of the PFE simulation studies of the current through MIM stacks with thin insulating films were performed and the current–electric field curves without and with implementation of the PFE were compared. For the simulation, an advanced current model has been used combining electronic carrier injection/ejection currents at the interfaces, described by thermionic emission, with the carrier transport in the dielectric, described by drift and diffusion of electrons and holes in a wide band gap semiconductor. Besides the applied electric field (or voltage), many other important parameters have been varied: the density of the traps (with donor- and acceptor-like behavior); the zero-field energy level of the traps within the energy gap, this energy level is changed by the PFE (also called internal Schottky effect); the thickness of the dielectric film; the permittivity of the dielectric film simulating

  2. Light-induced defects in hybrid lead halide perovskite

    NASA Astrophysics Data System (ADS)

    Sharia, Onise; Schneider, William

    One of the main challenges facing organohalide perovskites for solar application is stability. Solar cells must last decades to be economically viable alternatives to traditional energy sources. While some causes of instability can be avoided through engineering, light-induced defects can be fundamentally limiting factor for practical application of the material. Light creates large numbers of electron and hole pairs that can contribute to degradation processes. Using ab initio theoretical methods, we systematically explore first steps of light induced defect formation in methyl ammonium lead iodide, MAPbI3. In particular, we study charged and neutral Frenkel pair formation involving Pb and I atoms. We find that most of the defects, except negatively charged Pb Frenkel pairs, are reversible, and thus most do not lead to degradation. Negative Pb defects create a mid-gap state and localize the conduction band electron. A minimum energy path study shows that, once the first defect is created, Pb atoms migrate relatively fast. The defects have two detrimental effects on the material. First, they create charge traps below the conduction band. Second, they can lead to degradation of the material by forming Pb clusters.

  3. Poole-Frenkel effect on electrical characterization of Al-doped ZnO films deposited on p-type GaN

    SciTech Connect

    Huang, Bohr-Ran; Liao, Chung-Chi; Ke, Wen-Cheng Chang, Yuan-Ching; Huang, Hao-Ping; Chen, Nai-Chuan

    2014-03-21

    This paper presents the electrical properties of Al-doped ZnO (AZO) films directly grown on two types of p-type GaN thin films. The low-pressure p-GaN thin films (LP-p-GaN) exhibited structural properties of high-density edge-type threading dislocations (TDs) and compensated defects (i.e., nitrogen vacancy). Compared with high-pressure p-GaN thin films (HP-p-GaN), X-ray photoemission spectroscopy of Ga 3d core levels indicated that the surface Fermi-level shifted toward the higher binding-energy side by approximately 0.7 eV. The high-density edge-type TDs and compensated defects enabled surface Fermi-level shifting above the intrinsic Fermi-level, causing the surface of LP-p-GaN thin films to invert to n-type semiconductor. A highly nonlinear increase in leakage current regarding reverse-bias voltage was observed for AZO/LP-p-GaN. The theoretical fits for the reverse-bias voltage region indicated that the field-assisted thermal ionization of carriers from defect associated traps, which is known as the Poole-Frenkel effect, dominated the I-V behavior of AZO/LP-p-GaN. The fitting result estimated the trap energy level at 0.62 eV below the conduction band edge. In addition, the optical band gap increased from 3.50 eV for as-deposited AZO films to 3.62 eV for 300 °C annealed AZO films because of the increased carrier concentration. The increasing Fermi-level of the 300 °C annealed AZO films enabled the carrier transport to move across the interface into the LP-p-GaN thin films without any thermal activated energy. Thus, the Ohmic behavior of AZO contact can be achieved directly on the low-pressure p-GaN films at room temperature.

  4. Defect-induced emission band in CdTe

    NASA Astrophysics Data System (ADS)

    Seto, S.; Tanaka, A.; Takeda, F.; Matsuura, K.

    1994-04-01

    We report on a distinct correlation between the 1.47 eV emission band and the dislocation density in bulk CdTe. The 1.47 eV band intensifies around the high-dislocation area (lineage structure) and at the position just on dislocation bundle. On the other hand, the 1.47 eV band was hardly observed in the low-dislocation area (etch pit density less than 2 × 10 5 cm -2) or at the position away from the dislocation bundle. Furthermore, the 1.47 eV band was intensified by γ-ray irradiation of 1.7 × 10 7 Gy, which produced a great number of Frenkel defects. It was shown that the 1.47 eV band is related not only to an extended defect such as a dislocation, but also to a point defect such as a Frenkel defect. These results suggest that the strain field induced in the vicinity of the defects is responsible for the recombination center of the 1.47 eV band.

  5. Defect processes in orthorhombic LnBaCo2O5.5 double perovskites.

    PubMed

    Seymour, I D; Chroneos, A; Kilner, J A; Grimes, R W

    2011-09-01

    Static atomistic simulations based on the Born model were used to investigate intrinsic defect processes in orthorhombic LnBaCo(2)O(5.5) (Ln = Y, La, Pr, Nd, Sm, Gd, Dy, Ho, Er, and Yb) double perovskites. It was found that Ln/Ba antisite disorder is the lowest energy defect reaction, with the large Ln cations giving rise to smaller antisite energies. On the oxygen sublattice the oxygen Frenkel disorder dominates and also decreases in energy with increasing Ln cation size. The lowest energy oxygen vacancy and interstitial positions are in the LnO(0.5) and CoO(2) layers respectively. Interestingly, the calculations indicate that oxygen vacancies cluster with Ba antisite defects (occupying Ln sites). This suggests that the transport of oxygen vacancies will be influenced not only by the oxygen Frenkel energy but also the antisite energy. We propose that PrBaCo(2)O(5.5) most efficiently balances these two competing effects as it has an oxygen Frenkel energy of just 0.24 eV per defect combined with a high antisite energy (0.94 eV), which ensures that the A cation sublattice will remain more ordered. PMID:21769361

  6. Birth Defects

    MedlinePlus

    ... NICHD Research Information Clinical Trials Resources and Publications Birth Defects: Condition Information Skip sharing on social media links Share this: Page Content What are birth defects? Birth defects are structural or functional abnormalities present ...

  7. Comment on "Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy"

    NASA Astrophysics Data System (ADS)

    Novaco, Anthony D.

    2015-11-01

    A recent publication [Q. Meng, L. Wu, D. O. Welch, and Y. Zhu, Phys. Rev. B 91, 224305 (2015), 10.1103/PhysRevB.91.224305] examines the quantum normal modes of the Frenkel-Kontorova chain. The authors compare their results to those of an older work [A. D. Novaco, Phys. Rev. B 22, 1645 (1980), 10.1103/PhysRevB.22.1645], attributing the differences to limitations in the numerical analysis of that 1980 paper. We show here that it is not numerical limitations that cause the differences between the two papers, and we argue that the cause of these differences resides with the approaches used in the modeling.

  8. First-principles DFT+U modeling of defect behaviors in anti-ferromagnetic uranium mononitride

    SciTech Connect

    Lan, Jian-Hui; Zhao, Zi-Chen; Wu, Qiong; Zhao, Yu-Liang; Shi, Wei-Qun; Chai, Zhi-Fang

    2013-12-14

    A series of point defects in uranium mononitride (UN) have been studied by first-principles DFT+U calculations. The influence of intrinsic defects on the properties of UN was explored by considering the anti-ferromagnetic (AFM) order along the [001] direction. Our results show that all the point defects lead to obvious volume swelling of UN crystal. Energetically, the interstitial nitrogen defect is the most favorable one among single-point defects in UN crystal with the formation energy of 4.539 eV, while the N-Frenkel pair becomes the most preferable one among double-point defects. The AFM order induces obvious electron spin polarization of uranium towards neighboring uranium atoms with opposite spin orientations in UN crystal.

  9. Birth Defects

    MedlinePlus

    A birth defect is a problem that happens while a baby is developing in the mother's body. Most birth defects happen during the first 3 months of ... in the United States is born with a birth defect. A birth defect may affect how the ...

  10. Ab initio calculations on the defect structure of β-Ga2O3

    NASA Astrophysics Data System (ADS)

    Zacherle, T.; Schmidt, P. C.; Martin, M.

    2013-06-01

    The intrinsic point defects of β-Ga2O3 are investigated using density functional theory. We have chosen two different exchange-correlation potentials: the generalized gradient approximation (GGA) and a hybrid potential (HSE06). Defect formation energies were determined taking into account finite-size effects. Schottky, anti-Frenkel, and Frenkel energies have been extracted for T=0 K. We calculate formation entropies for an oxygen and a gallium vacancy and determine the Gibbs energy of Schottky disorder. Furthermore, we investigate the defect concentrations as a function of the oxygen partial pressure. The obtained purely intrinsic defect concentrations for charged defects are very small and result in a pO2 dependence of the electron concentration of [e']˜ pO2-1/6, whereas experimentally [e']˜ pO2-1/4 is found. So we assume that, experimentally, a small unintentional donor doping is unavoidable. A small extrinsic donor concentration [D·] = 1018 cm-3 (10 ppm) changes the electron concentration to [e']˜ pO2-1/4 and gives an activation energy of the conductivity σ of 1.7 eV in good agreement to experimental values. So we propose as majority disorder 3[VGa'''] = [D·] with electrons being minority defects.

  11. Coherent potential approximation for the absorption spectra and the densities of states of cubic Frenkel exciton systems with Gaussian diagonal disorder

    NASA Astrophysics Data System (ADS)

    Avgin, I.; Boukahil, A.; Huber, D. L.

    2015-11-01

    Using the coherent potential approximation, we investigate the optical absorption and the density of states of Frenkel exciton systems on simple, body centered, and face centered cubic lattices with nearest-neighbor interactions and a Gaussian distribution of transition frequencies (i.e. Gaussian diagonal disorder). The analysis is based on an elliptic integral approach with a variety of variances. The results for the simple cubic lattice are in good agreement with the finite array calculations of Schreiber and Toyozawa. Our findings suggest that the coherent potential approximation can be useful in interpreting the optical properties of cubic crystals where the optically excited states are Frenkel excitons with the dominant interactions limited to nearest-neighbors.

  12. Static Structure Factor of Frenkel-Kontorowa Systems at High-Temperatures: Application to K-Hollandite

    NASA Astrophysics Data System (ADS)

    Ishii, Tadao

    1983-12-01

    Discussion of the static structure factor S(q) for the Frenkel-Kontorowa systems is made on the basis of a high-temperature expansion of the transfer-integral equation [TIE]. The approximate solution of the TIE can be expressed in terms of an arbitrary order of the modified Bessel function In, the use of which for S(q) within the 20th-order of In reveals that S(q) converges quite well, for example, in the regions of the substrate potential U/kBT{=}Uβ≲4 for the correlation length κa-1{=}3.1. Application to the K-hollandite [K1.54Mg0.77Ti7.23O16] shows that S(q) for Uβ≲4 does not properly reproduce the experimental result, but gives rise to a consistent result for Uβ{=}8 and κa-1{=}3.1 whose values are in good agreement with 6 and 5.1, respectively, theoretically obtained by Beyeler-Pietronero-Strässler from their configurational model analysis. An effect of U turns out to be evident in the K-hollandite.

  13. An efficient and reliable model to simulate microscopic mechanical friction in the Frenkel-Kontorova-Tomlinson model

    NASA Astrophysics Data System (ADS)

    Alhama, F.; Marín, F.; Moreno, J. A.

    2011-11-01

    The Frenkel-Kontorova-Tomlinson model is composed of a large number of non-linear, coupled differential equations that reproduce the friction occurring in mechanical systems in which the atomic smooth surfaces of two bodies slide against each other. The problem is very interesting since the possible solutions, which are very sensitive to the parameters of the system, range from simple stable harmonic solutions (in which the spectrum of the movement of individual atoms contains one frequency) to chaotic solutions (where the spectrum contains a series of incommensurable frequencies), passing through intermediate solutions formed by a spectrum of commensurable finite frequencies. The design of the model both for the static and dynamic problem, which follows the network method rules, is explained in detail and the model is run on standard electrical circuit simulation software to provide, in its own graphic ambient, the average total friction force, the Fast Fourier Transforms of atom displacement and the phase diagrams. The influence of the main parameters of the system (interaction force amplitude and stiffness between surface atoms and substrate) on the type of pattern of the solution is studied for a practical range of these parameters.

  14. Energetics of intrinsic point defects in ZrSiO{sub 4}

    SciTech Connect

    Pruneda, J.M.; Artacho, Emilio

    2005-03-01

    Using first principles calculations we have studied the formation energies, electron and hole affinities, and electronic levels of intrinsic point defects in zircon. The atomic structures of charged interstitials, vacancies, Frenkel pairs, and antisite defects are obtained. The limit of high concentration of point defects, relevant for the use of this material in nuclear waste immobilization, was studied with a variable lattice relaxation that can simulate the swelling induced by radiation damage. The limit of low concentration of defects is simulated with larger cells and fixed lattice parameters. Using known band offset values at the interface of zircon with silicon, we analyze the foreseeable effect of the defects on the electronic properties of zircon used as gate in metal-oxide-semiconductor devices.

  15. Influence of calcium substitution on defect disorder in barium titanate by atomistic simulation

    NASA Astrophysics Data System (ADS)

    Sampaio, D. V.; Santos, J. C. A.; Rezende, M. V. dos S.; Valerio, M. E. G.; Silva, R. S.

    2016-01-01

    In this work, classical atomistic simulation was employed to study the intrinsic disorder influenced by calcium substitution in BaTiO3 structure. The defects were modeled using the Mott-Littleton approximation, in which: a spherical region of the lattice surrounding the defect is treated explicitly, all interactions are considered, and more distant parts of the lattice are treated using a continuum approach. Frenkel, Schottky, pseudo-Schottky and anti-Schottky defects in Ba1-x Ca x TiO3 (x  =  0-1) were investigated. It was found that the most probable defects to occur in this system are CaO pseudo-Schottky defect and the incorporation of \\text{Ca}\\text{Ti}\\prime \\prime with compensation by oxygen vacancy.

  16. Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3-b:2'3'-f]thieno[3,2-b]-thiophene Thin Films: The Importance of Hole Delocalization.

    PubMed

    Fujita, Takatoshi; Atahan-Evrenk, Sule; Sawaya, Nicolas P D; Aspuru-Guzik, Alán

    2016-04-01

    Charge-transfer states in organic semiconductors play crucial roles in processes such as singlet fission and exciton dissociation at donor/acceptor interfaces. Recently, a time-resolved spectroscopy study of dinaphtho[2,3-b:2'3'-f]thieno[3,2-b]-thiophene (DNTT) thin films provided evidence for the formation of mixed Frenkel and charge-transfer excitons after the photoexcitation. Here, we investigate optical properties and excitation dynamics of the DNTT thin films by combining ab initio calculations and a stochastic Schrödinger equation. Our theory predicts that the low-energy Frenkel exciton band consists of 8-47% CT character. The quantum dynamics simulations show coherent dynamics of Frenkel and CT states in 50 fs after the optical excitation. We demonstrate the role of charge delocalization and localization in the mixing of CT states with Frenkel excitons as well as the role of their decoherence. PMID:27011327

  17. Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

    NASA Astrophysics Data System (ADS)

    Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

    2015-08-01

    The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a0 to 3.3a0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.

  18. Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

    SciTech Connect

    Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

    2015-01-01

    The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.

  19. Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe.

    PubMed

    Nakashima, Kenichi; Stoller, Roger E; Xu, Haixuan

    2015-08-26

    The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a0 to 3.3a0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster. PMID:26241190

  20. Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

    DOE PAGESBeta

    Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

    2015-01-01

    The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

  1. Ear defects.

    PubMed

    Shonka, David C; Park, Stephen S

    2009-08-01

    The projection and exposure of the auricle make it particularly susceptible to actinic injury and thus to cutaneous malignancies. Auricular reconstruction is challenging because of its unique surface anatomy and undulating topography. This article organizes auricular defects into different categories based on anatomic location and extent of tissue loss, including skin-only defects, small composite defects, full-thickness defects involving or sparing the upper third of the ear, and total auricular loss. The authors share an algorithm for repair of the array of auricular defects. PMID:19698921

  2. Energy Dissipation and Defect Generation for Nanocrystalline Silicon Carbide

    SciTech Connect

    Gao, Fei; Chen, Dong; Hu, Wangyu; Weber, William J.

    2010-05-05

    Large-scale molecular dynamics simulations have been employed to study defect generation and primary damage state in nano crystalline (NC) SiC of average grain diameters from 5 to 21 nm. Primary knock-on atom (PKA) kinetic energies of 10 keV are simulated, and cascade structures in NC SiC with a grain size smaller than 12 nm are generally different from those generated in single crystalline SiC. It is found that the local stresses near the grain boundaries (GBs) strongly affect the behavior of the PKA and secondary recoil atoms (SRAs), and the GBs act as sinks for deposition of kinetic energy. A striking feature is that the PKA and SRAs preferentially deposit energy along the GBs for grains with average size less 12 nm, which results in atomic displacements primarily within the GBs; whereas for larger grain sizes, most defects are produced within the grains. There exists a crossover in defect production, which is manifested in switching from grain boundary damage to grain damage. The most common defects created in NC SiC are antisite defects, following by vacancies and interstitials, in contrast to those produced in a single crystalline SiC, where the dominate defects are Frenkel pairs. Defect production efficiency increases with increasing the grain size, with a typical value of 0.18 for small grains and rising to 0.5 for larger grains.

  3. Energy dissipation and defect generation in nanocrystalline silicon carbide

    SciTech Connect

    Gao, F.; Weber, W. J.; Chen, D.; Hu Wangyu

    2010-05-01

    Large-scale molecular-dynamics simulations have been employed to study defect generation and primary damage state in nanocrystalline (NC) SiC of average grain diameters from 5 to 21 nm. Primary knock-on atom (PKA) kinetic energies of 10 keV are simulated and cascade structures in NC SiC with a grain size smaller than 12 nm are generally different from those generated in single-crystalline SiC. It is found that the local stresses near the grain boundaries (GBs) strongly affect the behavior of the PKA and secondary recoil atoms (SRAs), and the GBs act as sinks for deposition of kinetic energy. A striking feature is that the PKA and SRAs preferentially deposit energy along the GBs for grains with average size less 12 nm, which results in atomic displacements primarily within the GBs; whereas for larger grain sizes, most defects are produced within the grains. The defect production within gains generally increases with increasing grain size, which is manifested in switching from grain boundary damage to grain damage. The most common defects created in NC SiC are antisite defects, following by vacancies and interstitials, in contrast to those produced in a single-crystalline SiC, where the dominate defects are Frenkel pairs. Defect production efficiency increases with increasing grain size, with a typical value of 0.18 for small grains and rising to 0.5 for larger grains.

  4. First-principles study of point defects in thorium carbide

    NASA Astrophysics Data System (ADS)

    Pérez Daroca, D.; Jaroszewicz, S.; Llois, A. M.; Mosca, H. O.

    2014-11-01

    Thorium-based materials are currently being investigated in relation with their potential utilization in Generation-IV reactors as nuclear fuels. One of the most important issues to be studied is their behavior under irradiation. A first approach to this goal is the study of point defects. By means of first-principles calculations within the framework of density functional theory, we study the stability and formation energies of vacancies, interstitials and Frenkel pairs in thorium carbide. We find that C isolated vacancies are the most likely defects, while C interstitials are energetically favored as compared to Th ones. These kind of results for ThC, to the best authors' knowledge, have not been obtained previously, neither experimentally, nor theoretically. For this reason, we compare with results on other compounds with the same NaCl-type structure.

  5. Low power zinc-oxide based charge trapping memory with embedded silicon nanoparticles via poole-frenkel hole emission

    SciTech Connect

    El-Atab, Nazek; Nayfeh, Ammar; Ozcan, Ayse; Alkis, Sabri; Okyay, Ali K.; Department of Electrical and Electronics Engineering, Bilkent University, 06800 Ankara

    2014-01-06

    A low power zinc-oxide (ZnO) charge trapping memory with embedded silicon (Si) nanoparticles is demonstrated. The charge trapping layer is formed by spin coating 2 nm silicon nanoparticles between Atomic Layer Deposited ZnO steps. The threshold voltage shift (ΔV{sub t}) vs. programming voltage is studied with and without the silicon nanoparticles. Applying −1 V for 5 s at the gate of the memory with nanoparticles results in a ΔV{sub t} of 3.4 V, and the memory window can be up to 8 V with an excellent retention characteristic (>10 yr). Without nanoparticles, at −1 V programming voltage, the ΔV{sub t} is negligible. In order to get ΔV{sub t} of 3.4 V without nanoparticles, programming voltage in excess of 10 V is required. The negative voltage on the gate programs the memory indicating that holes are being trapped in the charge trapping layer. In addition, at 1 V the electric field across the 3.6 nm tunnel oxide is calculated to be 0.36 MV/cm, which is too small for significant tunneling. Moreover, the ΔV{sub t} vs. electric field across the tunnel oxide shows square root dependence at low fields (E < 1 MV/cm) and a square dependence at higher fields (E > 2.7 MV/cm). This indicates that Poole-Frenkel Effect is the main mechanism for holes emission at low fields and Phonon Assisted Tunneling at higher fields.

  6. Defects and metastable structures of MgAl{sub 2}O{sub 4}

    SciTech Connect

    Chen, S.P.; Yan, M.; Grimes, R.W.; Vyas, S.; Gale, J.D.

    1995-07-01

    This paper presents calculated properties of normal and inverse spinel structures of MgAl{sub 2}O{sub 4} and of point defects in the spinel structure. These results provide information for further study of possible metastable states. Calculated properties of ``amorphous`` structure are also presented. Atomistic simulations show that in MgAl{sub 2}O{sub 4} spinel structure, the exchange of an Mg{sup 2+} ion with an Al{sup 3+} ion has the lowest energy increase, 0. 92eV/atom. The Schottky defect increases the energy by 3.71 eV/atom. Frenkel defects are difficult to form, increasing the energy at least 4.59eV/atom for the Mg{sup 2+} Frenkel defect. Proposed rock salt structure of MgAl{sub 2}O{sub 4} has smaller volume and larger Young modulus, and the amorphosu state has larger volume and smaller Young modulus than the MgAl{sub 2}O{sub 4} spinel.

  7. Elastic constants of defected and amorphous silicon with the environment-dependent interatomic potential

    SciTech Connect

    Allred, Clark L.; Yuan Xianglong; Hobbs, Linn W.; Bazant, Martin Z.

    2004-10-01

    The elastic constants of a wide range of models of defected crystalline and amorphous silicon are calculated, using the environment-dependent interatomic potential (EDIP). The defected crystalline simulation cells contain randomly generated defect distributions. An extensive characterization of point defects is performed, including structure, energy and influence on elastic constants. Three important conclusions are drawn. (1) Defects have independent effects on the elastic constants of silicon up to (at least) a defect concentration of 0.3%. (2) The linear effect of Frenkel pairs on the <110> Young's modulus of silicon is -1653 GPa per defect fraction. (3) 17 different point defect types cause a very similar decrease in the <110> Young's modulus: -(0.28{+-}0.05)% when calculated in isolation using a 1728-atom cell. These principles will be very useful for predicting the effect of radiation damage on the elastic modulus of silicon in the typical case in which point-defect concentrations can be estimated, but the exact distribution and species of defects is unknown. We also study amorphous samples generated in quenching the liquid with EDIP, including an ideal structure of perfect fourfold coordination, samples with threefold and fivefold coordinated defects, one with a nanovoid, and one with an amorphous inclusion in a crystalline matrix. In the last case, a useful finding is that the change in the Young's modulus is simply related to the volume fraction of amorphous material, as has also been observed by experiment.

  8. Defect engineering of the electronic transport through cuprous oxide interlayers

    PubMed Central

    Fadlallah, Mohamed M.; Eckern, Ulrich; Schwingenschlögl, Udo

    2016-01-01

    The electronic transport through Au–(Cu2O)n–Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work. PMID:27256905

  9. Defect engineering of the electronic transport through cuprous oxide interlayers

    NASA Astrophysics Data System (ADS)

    Fadlallah, Mohamed M.; Eckern, Ulrich; Schwingenschlögl, Udo

    2016-06-01

    The electronic transport through Au–(Cu2O)n–Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work.

  10. Defect engineering of the electronic transport through cuprous oxide interlayers.

    PubMed

    Fadlallah, Mohamed M; Eckern, Ulrich; Schwingenschlögl, Udo

    2016-01-01

    The electronic transport through Au-(Cu2O)n-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of varying the thickness (i.e., n) is studied as well as that of point defects and anion substitution. For all Cu2O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu2O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work. PMID:27256905

  11. Birth Defects

    MedlinePlus

    ... with birth defects may need surgery or other medical treatments. Today, doctors can diagnose many birth defects in the womb. This enables them to treat or even correct some problems before the baby is born. Centers for Disease Control and Prevention

  12. The Frenkel Kontorova Model

    NASA Astrophysics Data System (ADS)

    Floría, L. M.; Baesens, C.; Gómez-Gardeñes, J.

    In the preface to his monograph on the structure of Evolutionary Theory [1], the late professor Stephen Jay Gould attributes to the philosopher Immanuel Kant the following aphorism in Science Philosophy: "Percepts without concepts are blind; concepts without percepts are empty". Using with a bit of freedom these Kantian terms, one would say that a scientific model is a framework (or network) of interrelated concepts and percepts where experts build up scientific consistent explanations of a given set of observations. Good models are those which are both, conceptually simple and universal in their perceptions. Let us illustrate with examples the meaning of this statement.

  13. The stability of irradiation-induced defects in NiAl

    SciTech Connect

    Caro, J.A. , Villigen ); Pedraza, D.F. )

    1990-01-01

    Vacancies, interstitials and antisite defects are produced in intermetallic compounds by irradiation with energetic particles. The manner in which these defects evolve during irradiation may contribute to microstructural changes such as the generation of dislocations, dislocation loops, voids, phase transformations and amorphization. In this work, the embedded-atom potentials for nickel and aluminum developed by Foiles, Baskes and Daw were used to calculate the energy of formation of antisite defects, of vacancies, and of various possible interstitial configurations in the B2 NiAl compound. The crowdion in the <111> direction that incorporates an extra nickel atom is found to be the lowest energy interstitial configuration. Using the same potentials, the distance for spontaneous recombination of Frenkel pairs is found to be third-nearest neighbor provided the chemical order is maintained. However, if the chemical order of the sites nearest to the interstitial is altered at a bcc cell adjacent to the cell occupied by the vacancy at the cell center, recombination is inhibited in several cases in which the Frenkel pair is found to be stable. The implications of these results for irradiation-induced amorphization are discussed. 20 refs., 2 tabs., 1 fig.

  14. Defect energetics in α-Al2O3 and rutile TiO2

    NASA Astrophysics Data System (ADS)

    Catlow, C. R. A.; James, R.; Mackrodt, W. C.; Stewart, R. F.

    1982-01-01

    We report a theoretical survey of defect energetics in α-Al2O3 and rutile TiO2 which we relate to structural and transport properties of these materials. The study of these crystals has required us to modify our computational methods based on the Mott-Littleton theory, which were previously confined to the treatment of cubic materials. We discuss the theoretical aspects of a new and quite general computational procedure, HADES III, which can be used for defect calculations on crystals of any symmetry. Our discussion pays particular attention to the effects on the calculated energetics of the use of Mott-Littleton methods adapted for anisotropic crystals. Other features, considered in detail, are the sensitivity of calculated defect energies to the choice of lattice potential and to the size of the atomistically simulated region surrounding the defect. We also compare our results for α-Al2O3 and those of an earlier study of Dienes et al. Our calculations are then used to discuss the simplest features of the defect properties of pure and doped α-Al2O3 and TiO2. The present results support the dominance of Schottky disorder in both crystals; cation Frenkel energies are high and anion Frenkel pairs may be of significance in α-Al2O3. In addition we present a survey of doped alumina and of the effect of oxygen partial pressure on the defect structure of this material. Our results suggest that defect clustering will have a major influence on the properties of doped Al2O3.

  15. Analysis of leakage current mechanisms in Pt/Au Schottky contact on Ga-polarity GaN by Frenkel-Poole emission and deep level studies

    NASA Astrophysics Data System (ADS)

    Rao, Peta Koteswara; Park, Byungguon; Lee, Sang-Tae; Noh, Young-Kyun; Kim, Moon-Deock; Oh, Jae-Eung

    2011-07-01

    We report the Frenkel-Poole emission in Pt/Au Schottky contact on Ga-polarity GaN grown by molecular beam epitaxy using current-voltage-temperature (I-V-T) characteristics in the temperature ranging from 200 K to 375 K. Using thermionic emission model, the estimated Schottky barrier height is 0.49 eV at 200 K and 0.83 eV at 375 K, respectively, and it is observed that the barrier height increases with increase in temperature. The extracted emission barrier height (ϕt) for Ga-polarity GaN Schottky diode by Frenkel-Poole theory is about 0.15 eV. Deep level transient spectroscopy study shows a deep level with activation energy of 0.44 eV, having capture cross-section 6.09 × 10-14 cm2, which is located between the metal and semiconductor interface, and trap nature is most probably associated with dislocations in Ga-polarity GaN. The analysis of I-V-T characteristics represents that the leakage current is due to effects of electrical field and temperature on the emission of electron from a trap state near the metal-semiconductor interface into continuum states associated with conductive dislocations in Ga-polarity GaN Schottky diode.

  16. Analysis of leakage current mechanisms in Pt/Au Schottky contact on Ga-polarity GaN by Frenkel-Poole emission and deep level studies

    SciTech Connect

    Rao, Peta Koteswara; Park, Byungguon; Lee, Sang-Tae; Noh, Young-Kyun; Kim, Moon-Deock; Oh, Jae-Eung

    2011-07-01

    We report the Frenkel-Poole emission in Pt/Au Schottky contact on Ga-polarity GaN grown by molecular beam epitaxy using current-voltage-temperature (I-V-T) characteristics in the temperature ranging from 200 K to 375 K. Using thermionic emission model, the estimated Schottky barrier height is 0.49 eV at 200 K and 0.83 eV at 375 K, respectively, and it is observed that the barrier height increases with increase in temperature. The extracted emission barrier height ({phi}{sub t}) for Ga-polarity GaN Schottky diode by Frenkel-Poole theory is about 0.15 eV. Deep level transient spectroscopy study shows a deep level with activation energy of 0.44 eV, having capture cross-section 6.09 x 10{sup -14} cm{sup 2}, which is located between the metal and semiconductor interface, and trap nature is most probably associated with dislocations in Ga-polarity GaN. The analysis of I-V-T characteristics represents that the leakage current is due to effects of electrical field and temperature on the emission of electron from a trap state near the metal-semiconductor interface into continuum states associated with conductive dislocations in Ga-polarity GaN Schottky diode.

  17. Efficient dipole-dipole coupling of Mott-Wannier and Frenkel excitons in (Ga,In)N quantum well/polyfluorene semiconductor heterostructures

    NASA Astrophysics Data System (ADS)

    Itskos, G.; Heliotis, G.; Lagoudakis, P. G.; Lupton, J.; Barradas, N. P.; Alves, E.; Pereira, S.; Watson, I. M.; Dawson, M. D.; Feldmann, J.; Murray, R.; Bradley, D. D. C.

    2007-07-01

    We investigate interactions between Mott-Wannier (MW) and Frenkel excitons in a family of hybrid structures consisting of thin organic (polyfluorene) films placed in close proximity (systematically adjusted by GaN cap layer thickness) to single inorganic [(Ga,In)N/GaN] quantum wells (QWs). Characterization of the QW structures using Rutherford backscattering spectrometry and atomic force microscopy allows direct measurement of the thickness and the morphology of the GaN cap layers. Time-resolved photoluminescence experiments in the 8-75K temperature range confirm our earlier demonstration that nonradiative energy transfer can occur between inorganic and organic semiconductors. We assign the transfer mechanism to resonant Förster (dipole-dipole) coupling between MW exciton energy donors and Frenkel exciton energy acceptors and at 15K we find transfer efficiencies of up to 43%. The dependence of the energy transfer rate on the distance R between the inorganic QW donor dipole and organic film acceptor dipole indicates that a plane-plane interaction, characterized by a 1/R2 variation, best describes the situation found in our structures.

  18. Stabilization of primary mobile radiation defects in MgF2 crystals

    NASA Astrophysics Data System (ADS)

    Lisitsyn, V. M.; Lisitsyna, L. A.; Popov, A. I.; Kotomin, E. A.; Abuova, F. U.; Akilbekov, A.; Maier, J.

    2016-05-01

    Non-radiative decay of the electronic excitations (excitons) into point defects (F-H pairs of Frenkel defects) is main radiation damage mechanism in many ionic (halide) solids. Typical time scale of the relaxation of the electronic excitation into a primary, short-lived defect pair is about 1-50 ps with the quantum yield up to 0.2-0.8. However, only a small fraction of these primary defects are spatially separated and survive after transformation into stable, long-lived defects. The survival probability (or stable defect accumulation efficiency) can differ by orders of magnitude, dependent on the material type; e.g. ∼10% in alkali halides with f.c.c. or b.c.c. structure, 0.1% in rutile MgF2 and <0.001% in fluorides MeF2 (Me: Ca, Sr, Ba). The key factor determining accumulation of stable radiation defects is stabilization of primary defects, first of all, highly mobile hole H centers, through their transformation into more complex immobile defects. In this talk, we present the results of theoretical calculations of the migration energies of the F and H centers in poorely studied MgF2 crystals with a focus on the H center stabilization in the form of the interstitial F2 molecules which is supported by presented experimental data.

  19. Monte Carlo Simulations of Defect Recovery within a 10 keV Collision Cascade in 3C-SiC

    SciTech Connect

    Rong, Zhouwen; Gao, Fei; Weber, William J.

    2007-11-26

    A kinetic lattice Monte Carlo (KLMC) model is developed to investigate the recovery and clustering of defects during annealing of a single 10 keV cascade in cubic silicon carbide. The 10 keV Si cascade is produced by molecular dynamics (MD), and a method of transferring the defects created by MD simulations to the KLMC model is developed. The KLMC model parameters are obtained from molecular dynamics simulations and ab initio calculations of defect migration, recombination and annihilation. The defects are annealed isothermally from 100 K to 1000 K in the KLMC model. Two distinct recovery stages for close Frenkel pairs are observed at about 200 and 550 K, and the growth of complex clusters is observed above 400 K. These simulation results are in good agreement with available experimental results.

  20. Semilocal defects

    SciTech Connect

    Preskill, J. )

    1992-11-15

    I analyze the interplay of gauge and global symmetries in the theory of topological defects. In a two-dimensional model in which both gauge symmetries and {ital exact} global symmetries are spontaneously broken, stable vortices may fail to exist even though magnetic flux is topologically conserved. Following Vachaspati and Achucarro, I formulate the condition that must be satisfied by the pattern of symmetry breakdown for finite-energy configurations to exist in which the conserved magnetic flux is spread out instead of confined to a localized vortex. If this condition is met, vortices are always unstable at sufficiently weak gauge coupling. I also describe the properties of defects in models with an accidental'' symmetry that is partially broken by gauge-boson exchange. In some cases, the spontaneously broken accidental symmetry is not restored inside the core of the defect. Then the structure of the defect can be analyzed using an effective field theory; the details of the physics responsible for the spontaneous symmetry breakdown need not be considered. Examples include domain walls and vortices that are classically unstable, but are stabilized by loop corrections, and magnetic monopoles that have an unusual core structure. Finally, I examine the general theory of the electroweak strings'' that were recently discussed by Vachaspati. These arise only in models with gauge-boson mixing,'' and can always end on magnetic monopoles. Cosmological implications are briefly discussed.

  1. Congenital Defects.

    ERIC Educational Resources Information Center

    Goldman, Allen S.; And Others

    There are two general categories (not necessarily mutually exclusive) of congenital defects: (1) abnormalities that have an hereditary basis, such as single and multiple genes, or chromosomal abberration; and (2) abnormalities that are caused by nonhereditary factors, such as malnutrition, maternal disease, radiation, infections, drugs, or…

  2. First-principles calculation of defect-formation energies in the Y2 (Ti,Sn,Zr)2 O7 pyrochlore

    NASA Astrophysics Data System (ADS)

    Panero, Wendy R.; Stixrude, Lars; Ewing, Rodney C.

    2004-08-01

    Isometric pyrochlore, A2B2O7 , with compositions in the Y2(Ti,Sn,Zr)2O7 ternary system, are of particular interest because there are dramatic changes in properties, such as ionic conductivity, and response to radiation damage, as a function of disordering of the A- and B-site cations and oxygen vacancies. First-principles calculations using density functional theory and the plane-wave pseudopotential method, predict lattice constants (1.0049-1.0463 nm), atomic coordinates, and bulk moduli (176-205 GPa) that are linearly dependent on the B-site cation radius (0.062-0.072 nm). However, the energetics for the formation of cation-antisite (0-2 eV) and Frenkel-pair (4-11 eV) defects do not correlate with cation size, underscoring the importance of the specific electronic configuration of the B-site cation. The greater degree of covalent bonding between ⟨Sn4+-O⟩ as compared with ⟨Ti4+-O⟩ or ⟨Zr4+-O⟩ results in defect formation energies otherwise unexpected solely due to the radius ratios of the cation species. Y2Sn2O7 shows 2-4 eV greater defect formation energies than otherwise predicted through mean B-site cation sizes. Relaxed calculations on coupled cation-antisite and Frenkel-pair defects show that cation-antisite reactions likely drive the oxygen-Frenkel pair defect formation process that ultimately leads to increased oxygen mobility and completely aperiodic structures. Total charge and partial density of states calculations show strikingly different behavior of oxygen on two different crystallographic positions, emphasizing the need for a full account of the electronic structure.

  3. Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations

    SciTech Connect

    Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.; Heinisch, Howard L.; Wirth, Brian D.; Kurtz, Richard J.

    2015-07-01

    Molecular dynamics simulations have been used to generate a comprehensive database of surviving defects due to displacement cascades in bulk tungsten. Twenty-one data points of primary knock-on atom (PKA) energies ranging from 100 eV (sub-threshold energy) to 100 keV (~780×Ed, where Ed = 128 eV is the average displacement threshold energy) have been completed at 300 K, 1025 K and 2050 K. Within this range of PKA energies, two regimes of power-law energy-dependence of the defect production are observed. A distinct power-law exponent characterizes the number of Frenkel pairs produced within each regime. The two regimes intersect at a transition energy which occurs at approximately 250×Ed. The transition energy also marks the onset of the formation of large self-interstitial atom (SIA) clusters (size 14 or more). The observed defect clustering behavior is asymmetric, with SIA clustering increasing with temperature, while the vacancy clustering decreases. This asymmetry increases with temperature such that at 2050 K (~0.5Tm) practically no large vacancy clusters are formed, meanwhile large SIA clusters appear in all simulations. The implication of such asymmetry on the long-term defect survival and damage accumulation is discussed. In addition, <100> {110} SIA loops are observed to form directly in the highest energy cascades, while vacancy <100> loops are observed to form at the lowest temperature and highest PKA energies, although the appearance of both the vacancy and SIA loops with Burgers vector of <100> type is relatively rare.

  4. Energetics of intrinsic defects and their complexes in ZnO investigated by density functional calculations

    NASA Astrophysics Data System (ADS)

    Vidya, R.; Ravindran, P.; Fjellvåg, H.; Svensson, B. G.; Monakhov, E.; Ganchenkova, M.; Nieminen, R. M.

    2011-01-01

    Formation energies of various intrinsic defects and defect complexes in ZnO have been calculated using a density-functional-theory-based pseudopotential all-electron method. The various defects considered are oxygen vacancy (VO), zinc vacancy (VZn), oxygen at an interstitial site (Oi), Zn at an interstitial site (Zni), Zn at VO (ZnO), O at VZn(OZn), and an antisite pair (combination of the preceding two defects). In addition, defect complexes like (VO+Zni) and Zn-vacancy clusters are studied. The Schokkty pair (VO+VZn) and Frenkel pairs [(VO+Oi) and (VZn+Zni)] are considered theoretically for the first time. Upon comparing the formation energies of these defects, we find that VO would be the dominant intrinsic defect under both Zn-rich and O-rich conditions and it is a deep double donor. Both ZnO and Zni are found to be shallow donors. The low formation energy of donor-type intrinsic defects could lead to difficulty in achieving p-type conductivity in ZnO. Defect complexes have charge transitions deep inside the band gap. The red, yellow, and green photoluminescence peaks of undoped samples can be assigned to some of the defect complexes considered. It is believed that the red luminescence originates from an electronic transition in VO, but we find that it can originate from the antisite ZnO defect. Charge density and electron-localization function analyses have been used to understand the effect of these defects on the ZnO lattice. The electronic structure of ZnO with intrinsic defects has been studied using density-of-states and electronic band structure plots. The acceptor levels introduced by VZn are relatively localized, making it difficult to achieve p-type conductivity with sufficient hole mobility.

  5. Isochronal annealing study of X-ray induced defects in single- and double-walled carbon nanotubes

    SciTech Connect

    Murakami, Toshiya; Yamamoto, Yuki; Itoh, Chihiro; Kisoda, Kenji

    2013-09-21

    X-ray induced defects in single-walled (SWCNTs) and double-walled carbon nanotubes (DWCNTs) were characterized by Raman scattering spectroscopy. Frenkel defects, interstitial-vacancy pairs, were revealed to form in both SWCNTs and DWCNTs after X-ray irradiation because these defects were entirely healed by thermal annealing. In order to clarify the structure of the X-ray induced defect in SWCNT and DWCNT, isochronal-annealing experiments were performed on the irradiated samples and the activation energy for defect healing was estimated. The intensity of D band (defect induced band) on Raman spectra was used as a measure of the density of X-ray induced defects. The experimental results were in good agreement with the simulated values using second order reaction model, which indicated that the defect healing was determined by the migration energy of interstitials on the carbon layer. We also found that the activation energy for defect healing of SWCNT and DWCNT were around 0.5 eV and 0.32 eV, respectively. The X-ray induced defects in SWCNTs were more stable than those in DWCNTs. Compared these estimated activation energies to previous theoretical reports, we concluded that bridge and/or dumbbell interstitials are formed in both SWCNT and DWCNT by X-ray irradiation.

  6. Interaction of defects and H in proton-irradiated GaN(Mg, H)

    SciTech Connect

    Myers, S.M.; Seager, C.H.

    2005-05-01

    Magnesium-doped, p-type GaN containing H was irradiated with MeV protons at room temperature and then annealed at a succession of increasing temperatures, with the behavior of defects and H in the material being followed through infrared absorption spectroscopy, nuclear-reaction analysis of the H, and photoluminescence. The results support the annihilation of Ga Frenkel pairs near room temperature, leaving the N interstitial and N vacancy to influence the elevated-temperature behavior. Multiple changes are observed with increasing temperature, ending with thermal release of the H above 700 deg. C. These effects are interpreted in terms of a succession of complexes involving Mg, the point defects, and H.

  7. Enhancing metal-insulator-insulator-metal tunnel diodes via defect enhanced direct tunneling

    SciTech Connect

    Alimardani, Nasir; Conley, John F.

    2014-08-25

    Metal-insulator-insulator-metal tunnel diodes with dissimilar work function electrodes and nanolaminate Al{sub 2}O{sub 3}-Ta{sub 2}O{sub 5} bilayer tunnel barriers deposited by atomic layer deposition are investigated. This combination of high and low electron affinity insulators, each with different dominant conduction mechanisms (tunneling and Frenkel-Poole emission), results in improved low voltage asymmetry and non-linearity of current versus voltage behavior. These improvements are due to defect enhanced direct tunneling in which electrons transport across the Ta{sub 2}O{sub 5} via defect based conduction before tunneling directly through the Al{sub 2}O{sub 3}, effectively narrowing the tunnel barrier. Conduction through the device is dominated by tunneling, and operation is relatively insensitive to temperature.

  8. Analysis of defect formation in semiconductor cryogenic bolometric detectors created by heavy dark matter

    NASA Astrophysics Data System (ADS)

    Lazanu, Ionel; Ciurea, Magdalena Lidia; Lazanu, Sorina

    2013-04-01

    The cryogenic detectors in the form of bolometers are presently used for different applications, in particular for very rare or hypothetical events associated with new forms of matter, specifically related to searches for dark matter. In the detection of particles with a semiconductor as target and detector, usually two signals are measured: ionization and heat. The amplification of the thermal signal is obtained with the prescriptions from the Luke-Neganov effect. The energy deposited in the semiconductor lattice as stable defects in the form of Frenkel pairs at cryogenic temperatures, following the interaction of a dark matter particle, is evaluated and consequences for measured quantities are discussed. This contribution is included in the energy balance of the Luke effect. Applying the present model to germanium and silicon, we found that for the same incident weakly interacting massive particle the energy deposited in defects in germanium is about twice the value for silicon.

  9. Poole Frenkel current and Schottky emission in SiN gate dielectric in AlGaN/GaN metal insulator semiconductor heterostructure field effect transistors

    NASA Astrophysics Data System (ADS)

    Hanna, Mina J.; Zhao, Han; Lee, Jack C.

    2012-10-01

    We analyze the anomalous I-V behavior in SiN prepared by plasma enhanced chemical vapor deposition for use as a gate insulator in AlGaN/GaN metal insulator semiconductor heterostructure filed effect transistors (HFETs). We observe leakage current across the dielectric with opposite polarity with respect to the applied electric field once the voltage sweep reaches a level below a determined threshold. This is observed as the absolute minimum of the leakage current does not occur at minimum voltage level (0 V) but occurs earlier in the sweep interval. Curve-fitting analysis suggests that the charge-transport mechanism in this region is Poole-Frenkel current, followed by Schottky emission due to band bending. Despite the current anomaly, the sample devices have shown a notable reduction of leakage current of over 2 to 6 order of magnitudes compared to the standard Schottky HFET. We show that higher pressures and higher silane concentrations produce better films manifesting less trapping. This conforms to our results that we reported in earlier publications. We found that higher chamber pressure achieves higher sheet carrier concentration that was found to be strongly dependent on the trapped space charge at the SiN/GaN interface. This would suggest that a lower chamber pressure induces more trap states into the SiN/GaN interface.

  10. From square-well to Janus: Improved algorithm for integral equation theory and comparison with thermodynamic perturbation theory within the Kern-Frenkel model

    SciTech Connect

    Giacometti, Achille; Gögelein, Christoph; Lado, Fred; Sciortino, Francesco; Ferrari, Silvano

    2014-03-07

    Building upon past work on the phase diagram of Janus fluids [F. Sciortino, A. Giacometti, and G. Pastore, Phys. Rev. Lett. 103, 237801 (2009)], we perform a detailed study of integral equation theory of the Kern-Frenkel potential with coverage that is tuned from the isotropic square-well fluid to the Janus limit. An improved algorithm for the reference hypernetted-chain (RHNC) equation for this problem is implemented that significantly extends the range of applicability of RHNC. Results for both structure and thermodynamics are presented and compared with numerical simulations. Unlike previous attempts, this algorithm is shown to be stable down to the Janus limit, thus paving the way for analyzing the frustration mechanism characteristic of the gas-liquid transition in the Janus system. The results are also compared with Barker-Henderson thermodynamic perturbation theory on the same model. We then discuss the pros and cons of both approaches within a unified treatment. On balance, RHNC integral equation theory, even with an isotropic hard-sphere reference system, is found to be a good compromise between accuracy of the results, computational effort, and uniform quality to tackle self-assembly processes in patchy colloids of complex nature. Further improvement in RHNC however clearly requires an anisotropic reference bridge function.

  11. From square-well to Janus: improved algorithm for integral equation theory and comparison with thermodynamic perturbation theory within the Kern-Frenkel model.

    PubMed

    Giacometti, Achille; Gögelein, Christoph; Lado, Fred; Sciortino, Francesco; Ferrari, Silvano; Pastore, Giorgio

    2014-03-01

    Building upon past work on the phase diagram of Janus fluids [F. Sciortino, A. Giacometti, and G. Pastore, Phys. Rev. Lett. 103, 237801 (2009)], we perform a detailed study of integral equation theory of the Kern-Frenkel potential with coverage that is tuned from the isotropic square-well fluid to the Janus limit. An improved algorithm for the reference hypernetted-chain (RHNC) equation for this problem is implemented that significantly extends the range of applicability of RHNC. Results for both structure and thermodynamics are presented and compared with numerical simulations. Unlike previous attempts, this algorithm is shown to be stable down to the Janus limit, thus paving the way for analyzing the frustration mechanism characteristic of the gas-liquid transition in the Janus system. The results are also compared with Barker-Henderson thermodynamic perturbation theory on the same model. We then discuss the pros and cons of both approaches within a unified treatment. On balance, RHNC integral equation theory, even with an isotropic hard-sphere reference system, is found to be a good compromise between accuracy of the results, computational effort, and uniform quality to tackle self-assembly processes in patchy colloids of complex nature. Further improvement in RHNC however clearly requires an anisotropic reference bridge function. PMID:24606350

  12. Frenkel to Wannier-Mott Exciton Transition: Calculation of FRET Rates for a Tubular Dye Aggregate Coupled to a CdSe Nanocrystal.

    PubMed

    Plehn, Thomas; Ziemann, Dirk; Megow, Jörg; May, Volkhard

    2015-06-18

    The coupling is investigated of Frenkel-like exciton states formed in a tubular dye aggregate (TDA) to Wannier-Mott-like excitations of a semiconductor nanocrystal (NC). A double well TDA of the cyanine dye C8S3 with a length of 63.4 nm and a diameter of 14.7 nm is considered. The TDA interacts with a spherical Cd819Te630 NC of 4.5 nm diameter. Electronic excitations of the latter are described in a tight-binding model of the electrons and holes combined with a configuration interaction scheme to consider their mutual Coulomb coupling. To achieve a proper description of TDA excitons, a recently determined structure has been used, the energy transfer coupling has been defined as a screened interaction of atomic centered transition charges, and the site energies of the dye molecules have been the subject of a polarization correction. Even if both nanoparticles are in direct contact, the energy transfer coupling between the exciton levels of the TDA and of the NC stays below 1 meV. It results in FRET-type energy transfer with rates somewhat larger than 10(9)/s. They coincide rather well with recent preliminary experiments. PMID:25531181

  13. Neural Tube Defects

    MedlinePlus

    Neural tube defects are birth defects of the brain, spine, or spinal cord. They happen in the first month ... that she is pregnant. The two most common neural tube defects are spina bifida and anencephaly. In spina bifida, ...

  14. Ventricular Septal Defect (VSD)

    MedlinePlus

    ... Your Risk • Symptoms & Diagnosis • Care & Treatment • Tools & Resources Web Booklets on Congenital Heart Defects These online publications ... to you or your child’s defect and concerns. Web Booklet: Adults With Congenital Heart Defects Web Booklet: ...

  15. Electrical characterization of defects introduced in n-Ge during electron beam deposition or exposure

    SciTech Connect

    Coelho, S. M. M.; Auret, F. D.; Janse van Rensburg, P. J.; Nel, J. M.

    2013-11-07

    Schottky barrier diodes prepared by electron beam deposition (EBD) on Sb-doped n-type Ge were characterized using deep level transient spectroscopy (DLTS). Pt EBD diodes manufactured with forming gas in the chamber had two defects, E{sub 0.28} and E{sub 0.31}, which were not previously observed after EBD. By shielding the samples mechanically during EBD, superior diodes were produced with no measureable deep levels, establishing that energetic ions created in the electron beam path were responsible for the majority of defects observed in the unshielded sample. Ge samples that were first exposed to the conditions of EBD, without metal deposition (called electron beam exposure herein), introduced a number of new defects not seen after EBD with only the E-center being common to both processes. Substantial differences were noted when these DLTS spectra were compared to those obtained using diodes irradiated by MeV electrons or alpha particles indicating that very different defect creation mechanisms are at play when too little energy is available to form Frenkel pairs. These observations suggest that when EBD ions and energetic particles collide with the sample surface, inducing intrinsic non-localised lattice excitations, they modify defects deeper in the semiconductor thus rendering them observable.

  16. Study of Near-Neighbor Structure of Point Defects in α-FE by Displacement Cascade

    NASA Astrophysics Data System (ADS)

    Wang, Wei-Lu; Liu, Wei; Wu, Xuebang; Fang, Q. F.; Liu, C. S.; Huang, Qun-Ying; Wu, Y. C.

    2012-07-01

    Molecular dynamics simulations have been performed to study the primary damage formation in α-Fe by collision cascades in the recoil energy range 0.5-20 keV. Two near-neighbor analysis methods including the near-neighbor defect density (NPDD) analysis and cluster analysis were introduced to characterize the spatial aggregation of point defects and the morphologies of clusters, respectively. It is found that the NPDD of self-interstitial atom (SIA) and the number of Frenkel pairs show a similar variation trend, while the NPDD of vacancy exhibits a peak at shorter time than that of SIA. Furthermore, we find that the clusters of point defects exist mostly in the form of chainlike structure in the course and the end of cascades, but the proportion of chainlike clusters decreases with increasing the number of point defects included in one cluster. Therefore, the present methods are found to be effective to characterize the aggregation and the near-neighbor structure of point defects by displacement cascades at any time.

  17. Ab-initio modelling of defects in MgO

    NASA Astrophysics Data System (ADS)

    Gilbert, C. A.; Smith, R.; Kenny, S. D.

    2007-02-01

    The energetics of the key defects that are observed to occur during simulations of radiation damage in MgO are analysed using density functional theory. The results are compared with those from the empirical potentials used to carry out the radiation damage studies. The formation energies of vacancies, interstitials, Frenkel pairs, di-vacancies and di-interstitials are calculated as a function of the increasing supercell size in order to ensure good convergence. The supercell geometries were chosen to maximise the separation distance between periodic images. Their sizes ranged from cells containing 32 atoms up to cells containing 180 atoms. Results are presented for the formation energies of the first, second and third nearest neighbour defects. Results show that the di-vacancy formation energy is in the region of 4-6 eV and that formation energies for di-interstitials are more than double this, lying in the range 12-16 eV. Comparison of the results show that empirical potentials overestimate the formation energy of di-vacancies by 1-3 eV and underestimate the formation energies of di-interstitials by about 1-2 eV. The relative stability of the defects is, however, correctly predicted by the empirical potentials. The direction and the magnitude of the displacements of the atoms surrounding the defects are in good agreement for all the systems containing interstitials. For the systems containing vacancies the direction of the displacements are in agreement but the empirical potentials predict larger displacements in all cases.

  18. Carrier-induced transient defect mechanism for non-radiative recombination in InGaN light-emitting devices

    DOE PAGESBeta

    Bang, Junhyeok; Sun, Y. Y.; Song, Jung -Hoon; Zhang, S. B.

    2016-04-14

    Non-radiative recombination (NRR) of excited carriers poses a serious challenge to optoelectronic device efficiency. Understanding the mechanism is thus crucial to defect physics and technological applications. Here, by using first-principles calculations, we propose a new NRR mechanism, where excited carriers recombine via a Frenkel-pair (FP) defect formation. While in the ground state the FP is high in energy and is unlikely to form, in the electronic excited states its formation is enabled by a strong electron-phonon coupling of the excited carriers. As a result, this NRR mechanism is expected to be general for wide-gap semiconductors, rather than being limited tomore » InGaN-based light emitting devices.« less

  19. Formation and annihilation of intrinsic defects induced by electronic excitation in high-purity crystalline SiO{sub 2}

    SciTech Connect

    Kajihara, Koichi; Skuja, Linards; Hosono, Hideo

    2013-04-14

    Formation and thermal annihilation of intrinsic defects in {alpha}-quartz were examined using high-purity samples, while minimizing the contributions of reactions involving metallic impurities. Electronic excitation with {sup 60}Co {gamma}-rays was employed to avoid radiation-induced amorphization. The results clearly show that formation of oxygen vacancies (Si-Si bonds) as a result of decomposition of regular Si-O-Si bonds (Frenkel process) is the dominant intrinsic defect process. Compared with amorphous SiO{sub 2}, in {alpha}-quartz, the formation yield of Si-Si bonds is an order of magnitude smaller, the 7.6 eV optical absorption band is less broadened, and their thermal annihilation is complete at a lower temperature, around the {alpha}-{beta} quartz transition. In contrast, radiation-induced interstitial oxygen atoms practically do not form interstitial oxygen molecules.

  20. Carrier-induced transient defect mechanism for non-radiative recombination in InGaN light-emitting devices

    PubMed Central

    Bang, Junhyeok; Sun, Y. Y.; Song, Jung-Hoon; Zhang, S. B.

    2016-01-01

    Non-radiative recombination (NRR) of excited carriers poses a serious challenge to optoelectronic device efficiency. Understanding the mechanism is thus crucial to defect physics and technological applications. Here, by using first-principles calculations, we propose a new NRR mechanism, where excited carriers recombine via a Frenkel-pair (FP) defect formation. While in the ground state the FP is high in energy and is unlikely to form, in the electronic excited states its formation is enabled by a strong electron-phonon coupling of the excited carriers. This NRR mechanism is expected to be general for wide-gap semiconductors, rather than being limited to InGaN-based light emitting devices. PMID:27075818

  1. First-principles Modelling of Radiation Defects in Advanced Nuclear Fuels

    SciTech Connect

    Kotomin, Eugene Alexej; Gryaznov, D.; Grimes, R. W.; Parfitt, D.; Zhukovskii, Yuri F.; Mastrikov, Yuri A.; Van Uffelen, Paul; Rondinella, Vincenzo V.; Konings, RJ M.

    2008-06-01

    We present and discuss the results of the first-principles calculations of Frenkel defects and O impurities in uranium mononitride (UN) perspective for fast reactor nuclear fuels. Special attention is paid to the calculation of defect migration energies. We demonstrate that the interstitialcy mechanism (with the formation of a N–N dumbbell along the [111] axis) is energetically more favorable than the direct [100] hops. As a result, for the interstitial N ions we predict a diffusion mechanism similar to that known in isostructural fcc materials with a different chemical nature (KCl, MgO). The calculated effective N charge considerably depends on the ion position and environment (a host lattice site, interstitial or saddle point) which strongly limits the applicability of classical defect modelling based on formal invariant charges. Lastly, the calculated migration energy for the interstitial impurity O ions is quite low (2.84 eV), which indicates their high mobility and ability for reactions with other defects.

  2. Birth Defects Diagnosis

    MedlinePlus

    ... chromosomal disorder or heart defect in the baby. Second Trimester Screening Second trimester screening tests are completed between weeks 15 ... look for certain birth defects in the baby. Second trimester screening tests include a maternal serum screen ...

  3. Atrial septal defect

    MedlinePlus

    ... Coronary angiography (for patients over 35 years old) ECG Heart MRI Transesophageal echocardiography (TEE) Treatment ASD may ... of the complications can be prevented with early detection. Alternative Names Congenital heart defect - ASD; Birth defect ...

  4. Facts about Birth Defects

    MedlinePlus

    ... Us Information For... Media Policy Makers Facts about Birth Defects Language: English Español (Spanish) Recommend on Facebook Tweet ... having a baby born without a birth defect. Birth Defects Are Common Every 4 ½ minutes, a baby ...

  5. Energetics of intrinsic defects and their complexes in ZnO investigated by density functional calculations

    SciTech Connect

    Vidya, R.; Ravindran, P.; Fjellvaag, H.; Svensson, B. G.; Monakhov, E.; Ganchenkova, M.; Nieminen, R. M.

    2011-01-15

    Formation energies of various intrinsic defects and defect complexes in ZnO have been calculated using a density-functional-theory-based pseudopotential all-electron method. The various defects considered are oxygen vacancy (V{sub O}), zinc vacancy (V{sub Zn}), oxygen at an interstitial site (O{sub i}), Zn at an interstitial site (Zn{sub i}), Zn at V{sub O} (Zn{sub O}), O at V{sub Zn}(O{sub Zn}), and an antisite pair (combination of the preceding two defects). In addition, defect complexes like (V{sub O}+Zn{sub i}) and Zn-vacancy clusters are studied. The Schokkty pair (V{sub O}+V{sub Zn}) and Frenkel pairs [(V{sub O}+O{sub i}) and (V{sub Zn}+Zn{sub i})] are considered theoretically for the first time. Upon comparing the formation energies of these defects, we find that V{sub O} would be the dominant intrinsic defect under both Zn-rich and O-rich conditions and it is a deep double donor. Both Zn{sub O} and Zn{sub i} are found to be shallow donors. The low formation energy of donor-type intrinsic defects could lead to difficulty in achieving p-type conductivity in ZnO. Defect complexes have charge transitions deep inside the band gap. The red, yellow, and green photoluminescence peaks of undoped samples can be assigned to some of the defect complexes considered. It is believed that the red luminescence originates from an electronic transition in V{sub O}, but we find that it can originate from the antisite Zn{sub O} defect. Charge density and electron-localization function analyses have been used to understand the effect of these defects on the ZnO lattice. The electronic structure of ZnO with intrinsic defects has been studied using density-of-states and electronic band structure plots. The acceptor levels introduced by V{sub Zn} are relatively localized, making it difficult to achieve p-type conductivity with sufficient hole mobility.

  6. Defect Chemistry, Oxygen Ion Conduction, and Proton Conduction of Oxides with Brownmillerite and Related Structures.

    NASA Astrophysics Data System (ADS)

    Zhang, Guobin

    This dissertation presents a study on defect structure, oxygen ion conductivity, proton conductivity, electronic conductivity, and high temperature equilibrium redox properties of brownmillerite related oxides with general formula A _{rm n}B _{rm n}O_ {rm 3n-1} (n = 2 to infty ). A defect chemistry model is proposed for the brownmillerite oxides with high oxygen ion conductivity. Ba_2 In_2O_5 was chosen as the model material and its electrical conductivity and transport properties have been studied in detail. The oxygen ion conduction above the order-disorder temperature, T_{rm d} ~ 925^circC, and a mixed ionic-electronic conduction below T _{rm d}, was studied by conductivity and EMF measurements as a function of temperature and oxygen activity. The main defects are intrinsic anion Frenkel defects below T_{rm d}, and above T_{rm d} the oxide can be treated as acceptor doped perovskite with extrinsic oxygen vacancies. Charge compensation involves only ionic defects over the whole P(O_2 ) range used in this study. The formation and mobility enthalpies of the Frenkel defects, the redox enthalpies, and the band gap have been obtained for this oxide. A similar study has been done for other compositions in Ba _{rm n}In _2Zr_{rm n-2} O_{rm 3n-1} system. The proposed model is in good agreement with the experimental results. Evidence for protonic conduction was also found in these materials, especially at low temperatures. Three regions of protonic conduction in the Arrhenius plot have been observed and analyzed. The proton formation and mobility enthalpies have been obtained. The observed proton conductivity transition at the oxygen order-disorder transition temperature directly confirms the proton formation mechanism by incorporation of H_2O molecules into oxygen vacancies. A defect chemistry study was also conducted for the brownmillerite oxides with high electronic conductivity with Ca_2(Al_{ rm x}Fe_{rm 2-x})O_5 chosen as the model system. The main defects are

  7. Defect production in ceramics

    SciTech Connect

    Zinkle, S.J.; Kinoshita, C.

    1997-08-01

    A review is given of several important defect production and accumulation parameters for irradiated ceramics. Materials covered in this review include alumina, magnesia, spinel silicon carbide, silicon nitride, aluminum nitride and diamond. Whereas threshold displacement energies for many ceramics are known within a reasonable level of uncertainty (with notable exceptions being AIN and Si{sub 3}N{sub 4}), relatively little information exists on the equally important parameters of surviving defect fraction (defect production efficiency) and point defect migration energies for most ceramics. Very little fundamental displacement damage information is available for nitride ceramics. The role of subthreshold irradiation on defect migration and microstructural evolution is also briefly discussed.

  8. Topological defect lasers

    NASA Astrophysics Data System (ADS)

    Knitter, Sebastian; Fatt Liew, Seng; Xiong, Wen; Guy, Mikhael I.; Solomon, Glenn S.; Cao, Hui

    2016-01-01

    We introduce a topological defect to a regular photonic crystal defect cavity with anisotropic unit cell. Spatially localized resonances are formed and have high quality factor. Unlike the regular photonic crystal defect states, the localized resonances in the topological defect structures support powerflow vortices. Experimentally we realize lasing in the topological defect cavities with optical pumping. This work shows that the spatially inhomogeneous variation of the unit cell orientation adds another degree of freedom to the control of lasing modes, enabling the manipulation of the field pattern and energy flow landscape.

  9. Postdevelopment defect evaluation

    NASA Astrophysics Data System (ADS)

    Miyahara, Osamu; Kiba, Yukio; Ono, Yuko

    2001-08-01

    Reduction of defects after development is a critical issue in photolithography. A special category of post development defects is the satellite defect which is located in large exposed areas generally in proximity to large unexposed regions of photoresist. We have investigated the formation of this defect type on ESCAP and ACETAL DUV resists with and without underlying organic BARCs, In this paper, we will present AFM and elemental analysis data to determine the origin of the satellite defect. Imaging was done on a full-field Nikon 248nm stepper and resist processing was completed on a TEL CLEAN TRACK ACT 8 track. Defect inspection and review were performed on a KLA-Tencor and Hitachi SEM respectively. Results indicate that the satellite defect is generated on both BARC and resist films and defect counts are dependent on the dark erosion. Elemental analysis indicates that the defects are composed of sulfur and nitrogen compounds. We suspect that the defect is formed as a result of a reaction between PAG, quencher and TMAH. This defect type is removed after a DIW re-rinse.

  10. Theoretical investigation of thermodynamic stability and mobility of the intrinsic point defects in Ti3AC2 (A = Si, Al).

    PubMed

    Wang, Jiemin; Liu, Bin; Wang, Jingyang; Zhou, Yanchun

    2015-04-14

    Nano-laminated Ti3AC2 (A = Si, Al) are highlighted as nuclear materials for a generation IV (GIV) reactor because they show high tolerance to radiation damage and remain crystalline under irradiation of high fluence heavy ions. In this paper, the energetics of formation and migration of intrinsic point defects are predicted by density functional theory calculations. We find that the space near the A atomic plane acts as a point defect sink and can accommodate lattice disorder. The migration energy barriers of Si/Al vacancy and TiSi anti-site defects along the atomic plane A are in the range of 0.3 to 0.9 eV, indicating their high mobility and the fast recovery of Si/Al Frenkel defects and Ti-A antisite pairs after irradiation. This layered structure induced large disorder accommodation and fast defect recovery must play an important role in the micro-structural response of Ti3AC2 to irradiation. PMID:25749398

  11. Unraveling energy conversion modeling in the intrinsic persistent upconverted luminescence of solids: a study of native point defects in antiferromagnetic Er2O3.

    PubMed

    Huang, Bolong

    2016-05-11

    We investigated the mechanism of the intrinsic persistent luminescence of Er2O3 in the A-type lattice based on first-principles calculations. We found that the native point defects were engaged in mutual subtle interactions in the form of chemical reactions between different charge states. The release of energy related to lattice distortion facilitates the conversion of energy for electrons to be transported between the valence band and the trap levels or even between the deep trap levels so as to generate persistent luminescence. The defect transitions that take place along the zero-phonon line release energy to enable optical transitions, with the exact amount of negative effective correlation energy determined by the lattice distortions. Our calculations on the thermodynamic transition levels confirm that both the visible and NIR experimentally observed intrinsic persistent luminescence (phosphor or afterglow) are related to the thermodynamic transition levels of oxygen-related defects, and the thermodynamic transition levels within different charge states for these defects are independent of the chemical potentials of the given species. Lattice distortion defects such as anion Frenkel (a-Fr) pair defects play an important role in transporting O-related defects between different lattice sites. To obtain red persistent luminescence that matches the biological therapeutic window, it is suggested to increase the electron transition levels between high-coordinated O vacancies and related metastable a-Fr defects; a close-packed core-shell structure is required to quench low-coordinated O-related defects so as to reduce the green band luminescence. We further established a conversed chain reaction (CCR) model to interpret the energy conversion process of persistent luminescence in terms of the inter-reactions of native point defects between different charge states. It is advantageous to use the study of defect levels combined with formation energies to suggest limits

  12. On the interactions of point defects, dopants and light element impurities in silicon as stimulated by 200 kV electron irradiation

    NASA Astrophysics Data System (ADS)

    Stoddard, Nathan Gregory

    The purpose of this research has been the investigation of atomic manipulation in silicon. It has been demonstrated that bulk vacancies and interstitials are created and spatially separated one Frenkel pair at a time during 200 kV electron irradiation of nitrogen-doped silicon. The mechanism by which the nitrogen pair allows Frenkel pair separation is shown to be a combination of the lowering of the energy barrier to a knock-on event combined with a more stable end-state. Anomalous nitrogen diffusion has been observed as a result of low energy ion milling, and the diffusion of nitrogen is studied theoretically, revealing a new, low energy model for N2 pair diffusion. For the first time, 200 kV irradiation has been demonstrated not only to create Frenkel pairs during broad-beam irradiation, but also to allow the formation of extended defects like voids, oxygen precipitates and interstitial complexes. Using electron energy loss spectroscopy combined with first principles simulations, dark and bright areas induced in Z contrast images by 200 kV irradiation are demonstrated to be due to vacancy and self-interstitial complexes, respectively, with N > 2. Finally, the manipulation of dopants in silicon is induced by using the difference in energy transferable from a 200 kV electron to light versus heavy elements (e.g. B vs. Sb). Atomic Force Microscopy is used to demonstrate that n-type regions with a size corresponding to the beam diameter are created in p-type material by short periods of 200 kV e-beam exposure. In this way, a method can be developed to create p-n-p type devices of arbitrary size in codoped silicon using a room temperature process.

  13. Structure and properties of surface and subsurface defects in graphite accounting for van der Waals and spin-polarization effects

    NASA Astrophysics Data System (ADS)

    Teobaldi, G.; Tanimura, K.; Shluger, A. L.

    2010-11-01

    The geometries, formation energies, and diffusion barriers of surface and subsurface intrinsic defects in graphite are calculated using spin-polarized density-functional theory and the generalized gradient approximation with a semiempirical van der Waals (vdW) correction for dispersion interactions. The calculated formation energies and diffusion barriers of subsurface interstitial (I) atoms deviate qualitatively and quantitatively from those of surface adatoms. The same trend is found also for subsurface and adatom clusters (I2,I3) . In spite of the semiquantitative agreement on the optimized geometries, the formation energies and diffusion barriers of surface and subsurface vacancies (V), divacancies (VV), and intimate (I-V) Frenkel pairs differ significantly from the values for the analogous defects in the bulk of graphite. This suggests limited transferability of the bulk and subsurface defect models to the surface of graphite. These findings are rationalized in terms of the balance between the covalent and vdW interaction terms at the surface, subsurface, and bulk of graphite. Finally, pairing of individual defects (adatoms, I and V) is calculated to be energetically advantageous both on the surface and in the subsurface regions. This process is shown to either saturate residual dangling bonds or produce singlet spin states, thus contributing to the quenching of residual spin polarization from damaged graphite surfaces.

  14. Micrograph Defect Indentifier

    Energy Science and Technology Software Center (ESTSC)

    2012-10-11

    Micrograph image defect identifier is a computer code written in MATLAB to automatically detect defects on scanned image of thin film membrane samples employing three methods: global threshold, line detection and k-means segmentation. The results are segmented binary images of thin film with defects identified. Defect area fractions are also calculated. The users may use default functional variables calculated by program, or input preferred value from user’s experience. This will empower the user to processingmore » the image with more flexibility. MDI was designed to identify defects of thin films fabricated. It is also used in phase identification, porosity study on SEM, OM, TEM images. Different methods were applied in this software package: global threshold, line detection and k-means segmentation.« less

  15. Micrograph Defect Indentifier

    SciTech Connect

    None, None

    2012-10-11

    Micrograph image defect identifier is a computer code written in MATLAB to automatically detect defects on scanned image of thin film membrane samples employing three methods: global threshold, line detection and k-means segmentation. The results are segmented binary images of thin film with defects identified. Defect area fractions are also calculated. The users may use default functional variables calculated by program, or input preferred value from user’s experience. This will empower the user to processing the image with more flexibility. MDI was designed to identify defects of thin films fabricated. It is also used in phase identification, porosity study on SEM, OM, TEM images. Different methods were applied in this software package: global threshold, line detection and k-means segmentation.

  16. Wavelength dependent mask defects

    NASA Astrophysics Data System (ADS)

    Badger, Karen; Butt, Shahid; Burnham, Jay; Faure, Tom; Hibbs, Michael; Rankin, Jed; Thibault, David; Watts, Andrew

    2005-05-01

    For years there has been a mismatch between the photomask inspection wavelength and the usage conditions. While the non-actinic inspection has been a source for concern, there has been essentially no evidence that a defect "escaped" the mask production process due to the inspection mismatch. This paper will describe the discovery of one such defect, as well as the diagnostic and inspection techniques used to identify the location, analyze the composition, and determine the source of the printed wafer defect. Conventional mask inspection techniques revealed no defects, however an actinic Aerial Image Metrology System (AIMS) revealed a 1.5 mm region on the mask with up to 59% transmission reduction at 193 nm. Further diagnostics demonstrated a strong wavelength dependence which accounted for the near invisibility of the defect at I line (365 nm) or even DUV (248 nm) wavelengths, which had 0% and 5% respective transmission reductions. Using some creative imaging techniques via AIMS tool and modeling, the defect was deduced to have a three dimensional Gaussian absorption character, with total width approximately 1.5 mm. Several non-destructive diagnostic techniques were developed to determine the composition and location of the defect within the substrate. These results will be described in addition to identifying methods for ensuring product quality in the absence of actinic inspection.

  17. Defect Chemistry of Nanocarbon

    NASA Astrophysics Data System (ADS)

    Wang, Yuhuang

    2015-03-01

    Defects can rule the properties of a crystal. This effect is particularly intriguing in atom-thick materials such as single-walled carbon nanotubes and graphene, where electrons, excitons, phonons, and spin may strongly couple at the defect sites due to reduced dimensionality. In this talk, we will discuss our recent progress in fundamental understanding and molecular control of sp3 defects in sp2 carbon lattices, and their applications. An sp3 defect (tetrahedral bonding, diamond-like) is created by covalently attaching a functional group to the sp2 carbon lattice (trigonal planar, honeycomb-like) of a carbon nanotube or graphene. The beauty of this type of defect is its well-defined structure and chemical tunability at the molecular level. Our experimental results have unraveled a series of intriguing and surprising roles of defects. Specific examples will be given to illustrate how defects may be used to drive reaction propagation on sp2 carbon lattices, brighten carbon nanotube photoluminescence, and create selective chemical sensors.

  18. Point defects diagrams for pure and doped copper oxide Cu{sub 2{+-}{delta}}O in the temperature range of 873-1473 K

    SciTech Connect

    Stoklosa, A.

    2012-10-15

    Point defects diagrams for the Cu{sub 2{+-}{delta}}O, both pure and doped with M{sup 2+} metal ions with all the types of defects in the cation sublattice considered are presented in this work. The calculations of the diagrams were performed by a novel method. The calculations were based on the data from the results of the studies of the deviation from stoichiometry and the electrical conductivity in the temperature range of 873-1473 K. The values of {Delta}G{sup o} of the formation of Frenkel-type defects, of copper vacancies, and of interstitial copper atoms were determined and their temperature dependence. It was shown that character of the dependence of the sum of concentrations of electronic defects ([h{sup Bullet }]+b[e Prime ]) on p{sub O{sub 2}} is fully consistent with its dependence of the electrical conductivity. Their mobility ({mu}{sub e}/{mu}{sub h}=b), vary from 1300 to 30. The dope M{sup 2+} increases the concentration of electrons and shifts the minimum of electrical conductivity toward higher oxygen pressures. - Graphical abstract: This work presents point defects diagrams for the Cu{sub 2{+-}{delta}}O, with all the types of defects in the cation sublattice considered. Highlights: Black-Right-Pointing-Pointer The point defects diagrams. Copper oxide Cu{sub 2{+-}{delta}}O, for pure and M{sup 2+} doped. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation of Frenkel-type defects were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation QUOTE QUOTE of singly-ionized copper vacancies were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation of electroneutral copper vacancies were determined. Black-Right-Pointing-Pointer The values of {Delta}G{sup o} of the formation and of interstitial copper atoms were determined.

  19. Defect solitons in photonic lattices.

    PubMed

    Yang, Jianke; Chen, Zhigang

    2006-02-01

    Nonlinear defect modes (defect solitons) and their stability in one-dimensional photonic lattices with focusing saturable nonlinearity are investigated. It is shown that defect solitons bifurcate out from every infinitesimal linear defect mode. Low-power defect solitons are linearly stable in lower bandgaps but unstable in higher bandgaps. At higher powers, defect solitons become unstable in attractive defects, but can remain stable in repulsive defects. Furthermore, for high-power solitons in attractive defects, we found a type of Vakhitov-Kolokolov (VK) instability which is different from the usual VK instability based on the sign of the slope in the power curve. Lastly, we demonstrate that in each bandgap, in addition to defect solitons which bifurcate from linear defect modes, there is also an infinite family of other defect solitons which can be stable in certain parameter regimes. PMID:16605473

  20. What Are Neural Tube Defects?

    MedlinePlus

    ... NICHD Research Information Clinical Trials Resources and Publications Neural Tube Defects (NTDs): Condition Information Skip sharing on ... media links Share this: Page Content What are neural tube defects? Neural (pronounced NOOR-uhl ) tube defects ...

  1. Atrial Septal Defect (For Teens)

    MedlinePlus

    ... I Help a Friend Who Cuts? Atrial Septal Defect KidsHealth > For Teens > Atrial Septal Defect Print A ... Care of Yourself What Is an Atrial Septal Defect? Having a doctor listen to your heart is ...

  2. Birth defects monitoring

    SciTech Connect

    Klingberg, M.A.; Papier, C.M.; Hart, J.

    1983-01-01

    Population monitoring of birth defects provides a means for detecting relative changes in their frequency. Many varied systems have been developed throughout the world since the thalidomide tragedy of the early 1960s. Although it is difficult to pinpoint specific teratogenic agents based on rises in rates of a particular defect or a constellation of defects, monitoring systems can provide clues for hypothesis testing in epidemiological investigations. International coordination of efforts in this area resulted in the founding of the International Clearinghouse for Birth Defects Monitoring Systems (ICBDMS) in 1974. In this paper we will describe the functions and basic requirements of monitoring systems in general, and look at the development and activities of the ICBDMS. A review of known and suspected environmental teratogenic agents (eg, chemical, habitual, biological, physical, and nutritional) is also presented.

  3. Congenital Heart Defects

    MedlinePlus

    ... Treatment can include medicines, catheter procedures, surgery, and heart transplants. The treatment depends on the type of the defect, how severe it is, and a child's age, size, and general health. NIH: National Heart, Lung, and Blood Institute

  4. Automated Defect Classification (ADC)

    Energy Science and Technology Software Center (ESTSC)

    1998-01-01

    The ADC Software System is designed to provide semiconductor defect feature analysis and defect classification capabilities. Defect classification is an important software method used by semiconductor wafer manufacturers to automate the analysis of defect data collected by a wide range of microscopy techniques in semiconductor wafer manufacturing today. These microscopies (e.g., optical bright and dark field, scanning electron microscopy, atomic force microscopy, etc.) generate images of anomalies that are induced or otherwise appear on wafermore » surfaces as a result of errant manufacturing processes or simple atmospheric contamination (e.g., airborne particles). This software provides methods for analyzing these images, extracting statistical features from the anomalous regions, and applying supervised classifiers to label the anomalies into user-defined categories.« less

  5. Birth Defects (For Parents)

    MedlinePlus

    ... Ones & When? Smart School Lunches Emmy-Nominated Video "Cerebral Palsy: Shannon's Story" 5 Things to Know About Zika & ... defects. Clefting can be surgically repaired after birth. Cerebral palsy usually isn't found until weeks to months ...

  6. Similarities and distinctions of defect production by fast electron and proton irradiation: Moderately doped silicon and silicon carbide of n-type

    SciTech Connect

    Emtsev, V. V. Ivanov, A. M.; Kozlovski, V. V.; Lebedev, A. A.; Oganesyan, G. A.; Strokan, N. B.; Wagner, G.

    2012-04-15

    Effects of irradiation with 0.9 MeV electrons as well as 8 and 15 MeV protons on moderately doped n-Si grown by the floating zone (FZ) technique and n-SiC (4H) grown by chemical vapor deposition are studied in a comparative way. It has been established that the dominant radiation-produced defects with involvement of V group impurities differ dramatically in electron- and proton-irradiated n-Si (FZ), in spite of the opinion on their similarity widespread in literature. This dissimilarity in defect structures is attributed to a marked difference in distributions of primary radiation defects for the both kinds of irradiation. In contrast, DLTS spectra taken on electron- and proton-irradiated n-SiC (4H) appear to be similar. However, there are very much pronounced differences in the formation rates of radiation-produced defects. Despite a larger production rate of Frenkel pairs in SiC as compared to that in Si, the removal rates of charge carriers in n-SiC (4H) were found to be considerably smaller than those in n-Si (FZ) for the both electron and proton irradiation. Comparison between defect production rates in the both materials under electron and proton irradiation is drawn.

  7. Birth Defects. Matrix No. 2.

    ERIC Educational Resources Information Center

    Brent, Robert L.

    This report discusses the magnitude of the problem of birth defects, outlines advances in the birth defects field in the past decade, and identifies those areas where research is needed for the prevention, treatment, and management of birth defects. The problem of birth defects has consumed a greater portion of our health care resources because of…

  8. Wire insulation defect detector

    NASA Technical Reports Server (NTRS)

    Greulich, Owen R. (Inventor)

    2004-01-01

    Wiring defects are located by detecting a reflected signal that is developed when an arc occurs through the defect to a nearby ground. The time between the generation of the signal and the return of the reflected signal provides an indication of the distance of the arc (and therefore the defect) from the signal source. To ensure arcing, a signal is repeated at gradually increasing voltages while the wire being tested and a nearby ground are immersed in a conductive medium. In order to ensure that the arcing occurs at an identifiable time, the signal whose reflection is to be detected is always made to reach the highest potential yet seen by the system.

  9. Reconstruction of Mandibular Defects

    PubMed Central

    Chim, Harvey; Salgado, Christopher J.; Mardini, Samir; Chen, Hung-Chi

    2010-01-01

    Defects requiring reconstruction in the mandible are commonly encountered and may result from resection of benign or malignant lesions, trauma, or osteoradionecrosis. Mandibular defects can be classified according to location and extent, as well as involvement of mucosa, skin, and tongue. Vascularized bone flaps, in general, provide the best functional and aesthetic outcome, with the fibula flap remaining the gold standard for mandible reconstruction. In this review, we discuss classification and approach to reconstruction of mandibular defects. We also elaborate upon four commonly used free osteocutaneous flaps, inclusive of fibula, iliac crest, scapula, and radial forearm. Finally, we discuss indications and use of osseointegrated implants as well as recent advances in mandibular reconstruction. PMID:22550439

  10. Quantum computing with defects

    NASA Astrophysics Data System (ADS)

    Varley, Joel

    2011-03-01

    The development of a quantum computer is contingent upon the identification and design of systems for use as qubits, the basic units of quantum information. One of the most promising candidates consists of a defect in diamond known as the nitrogen-vacancy (NV-1) center, since it is an individually-addressable quantum system that can be initialized, manipulated, and measured with high fidelity at room temperature. While the success of the NV-1 stems from its nature as a localized ``deep-center'' point defect, no systematic effort has been made to identify other defects that might behave in a similar way. We provide guidelines for identifying other defect centers with similar properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate systems. To elucidate these points, we compare electronic structure calculations of the NV-1 center in diamond with those of several deep centers in 4H silicon carbide (SiC). Using hybrid functionals, we report formation energies, configuration-coordinate diagrams, and defect-level diagrams to compare and contrast the properties of these defects. We find that the NC VSi - 1 center in SiC, a structural analog of the NV-1 center in diamond, may be a suitable center with very different optical transition energies. We also discuss how the proposed criteria can be translated into guidelines to discover NV analogs in other tetrahedrally coordinated materials. This work was performed in collaboration with J. R. Weber, W. F. Koehl, B. B. Buckley, A. Janotti, C. G. Van de Walle, and D. D. Awschalom. This work was supported by ARO, AFOSR, and NSF.

  11. Supersymmetric k-defects

    NASA Astrophysics Data System (ADS)

    Koehn, Michael; Trodden, Mark

    2016-04-01

    In supersymmetric theories, topological defects can have nontrivial behaviors determined purely by whether or not supersymmetry is restored in the defect core. A well-known example of this is that some supersymmetric cosmic strings are automatically superconducting, leading to important cosmological effects and constraints. We investigate the impact of nontrivial kinetic interactions, present in a number of particle physics models of interest in cosmology, on the relationship between supersymmetry and supercurrents on strings. We find that in some cases it is possible for superconductivity to be disrupted by the extra interactions.

  12. Defect-dependent carrier transport behavior of polymer:ZnO composites/electrodeposited CdS/indium tin oxide devices

    SciTech Connect

    Lin, Yow-Jon You, C. F.

    2015-07-28

    Currents through the poly(3,4-ethylenedioxythiophene) doped with poly(styrenesulfonate) and ZnO nanoparticles (PEDOT:PSS:ZnO)/CdS/indium tin oxide (ITO) hetero-structures are studied. The authors introduced the electrodeposition technique with sulfide treatment to improve the film quality of CdS. It is shown that sulfide treatment leads to a reduction in the number of donor-like defects (that is, sulfur vacancies and cadmium interstitials) in the CdS films, which leads to the conversion of carrier transport behavior from Poole-Frenkel emission to thermionic emission-diffusion for PEDOT:PSS:ZnO/CdS/ITO devices. A correlation is identified for providing a guide to control the current transport behavior of PEDOT:PSS:ZnO/CdS/ITO devices.

  13. Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI

    SciTech Connect

    Bang, Junhyeok; Wang, Zheming; Gao, Fei; Meng, Sheng; Zhang, Shengbai

    2013-05-23

    In semiconductors, defects often assist non-radiative relaxation. However, Tl doping can significantly suppress the non-radiative relaxation in alkali halides to increase scintillation efficiency. Without the Tl, it is known that the creation of Frenkel pairs at self-trapped excitons, assisted by excited electron and hole relaxations, is the reason for the non-radiative relaxation. Here we show by first-principles calculation that Tl doping introduces Tl p states inside the band gap to trap the excited electrons. The trapping is highly effective to within several ps, as revealed by time-dependent density functional theory calculations. It alters the non-radiative relaxation process to result in a noticeable increase in the relaxation barrier from 0.3 to 0.63 eV, which reduces the non-radiative relaxation by roughly a factor of 105 at room temperature.

  14. Neural Tube Defects

    MedlinePlus

    ... The two most common neural tube defects are spina bifida and anencephaly. In spina bifida, the fetal spinal column doesn't close completely. There is usually nerve damage that causes at least some paralysis of the legs. In anencephaly, ... National Institute of Child Health and Human Development

  15. Ventricular Septal Defect

    MedlinePlus

    ... Cardiac Rhythm Disturbances Thoracic Aortic Aneurysm Pediatric and Congenital Heart Disease Heart abnormalities that are present at birth in ... common, accounting for 20% to 30% of all congenital heart defects. The US Centers for Disease Control and Prevention (CDC) estimates that 42 out ...

  16. Quantum computing with defects.

    PubMed

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

    2010-05-11

    Identifying and designing physical systems for use as qubits, the basic units of quantum information, are critical steps in the development of a quantum computer. Among the possibilities in the solid state, a defect in diamond known as the nitrogen-vacancy (NV(-1)) center stands out for its robustness--its quantum state can be initialized, manipulated, and measured with high fidelity at room temperature. Here we describe how to systematically identify other deep center defects with similar quantum-mechanical properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems. To illustrate these points in detail, we compare electronic structure calculations of the NV(-1) center in diamond with those of several deep centers in 4H silicon carbide (SiC). We then discuss the proposed criteria for similar defects in other tetrahedrally coordinated semiconductors. PMID:20404195

  17. Defects in flexoelectric solids

    NASA Astrophysics Data System (ADS)

    Mao, Sheng; Purohit, Prashant K.

    2015-11-01

    A solid is said to be flexoelectric when it polarizes in proportion to strain gradients. Since strain gradients are large near defects, we expect the flexoelectric effect to be prominent there and decay away at distances much larger than a flexoelectric length scale. Here, we quantify this expectation by computing displacement, stress and polarization fields near defects in flexoelectric solids. For point defects we recover some well known results from strain gradient elasticity and non-local piezoelectric theories, but with different length scales in the final expressions. For edge dislocations we show that the electric potential is a maximum in the vicinity of the dislocation core. We also estimate the polarized line charge density of an edge dislocation in an isotropic flexoelectric solid which is in agreement with some measurements in ice. We perform an asymptotic analysis of the crack tip fields in flexoelectric solids and show that our results share some features from solutions in strain gradient elasticity and piezoelectricity. We also compute the energy release rate for cracks using simple crack face boundary conditions and use them in classical criteria for crack growth to make predictions. Our analysis can serve as a starting point for more sophisticated analytic and computational treatments of defects in flexoelectric solids which are gaining increasing prominence in the field of nanoscience and nanotechnology.

  18. Deep-level defects introduced by 1 MeV electron radiation in AlInGaP for multijunction space solar cells

    NASA Astrophysics Data System (ADS)

    Lee, H. S.; Yamaguchi, M.; Ekins-Daukes, N. J.; Khan, A.; Takamoto, T.; Agui, T.; Kamimura, K.; Kaneiwa, M.; Imaizumi, M.; Ohshima, T.; Itoh, H.

    2005-11-01

    Presented in this paper are 1 MeV electron irradiation effects on wide-band-gap (1.97 eV) (Al0.08Ga0.92)0.52In0.48P diodes and solar cells. The carrier removal rate estimated in p-AlInGaP with electron fluence is about 1 cm-1, which is lower than that in InP and GaAs. From high-temperature deep-level transient spectroscopy measurements, a deep-level defect center such as majority-carrier (hole) trap H2 (Eν+0.90+/-0.05 eV) was observed. The changes in carrier concentrations (Δp) and trap densities as a function of electron fluence were compared, and as a result the total introduction rate, 0.39 cm-1, of majority-carrier trap centers (H1 and H2) is different from the carrier removal rate, 1 cm-1, in p-AlInGaP. From the minority-carrier injection annealing (100 mA/cm2), the annealing activation energy of H2 defect is ΔE=0.60 eV, which is likely to be associated with a vacancy-phosphorus Frenkel pair (Vp-Pi). The recovery of defect concentration and carrier concentration in the irradiated p-AlInGaP by injection relates that a deep-level defect H2 acts as a recombination center as well as compensator center.

  19. First principles studies on the impact of point defects on the phase stability of (AlxCr1-x)2O3 solid solutions

    NASA Astrophysics Data System (ADS)

    Koller, C. M.; Koutná, N.; Ramm, J.; Kolozsvári, S.; Paulitsch, J.; Holec, D.; Mayrhofer, P. H.

    2016-02-01

    Density Functional Theory applying the generalised gradient approximation is used to study the phase stability of (AlxCr1-x)2O3 solid solutions in the context of physical vapour deposition (PVD). Our results show that the energy of formation for the hexagonal α phase is lower than for the metastable cubic γ and B1-like phases-independent of the Al content x. Even though this suggests higher stability of the α phase, its synthesis by physical vapour deposition is difficult for temperatures below 800 °C. Aluminium oxide and Al-rich oxides typically exhibit a multi-phased, cubic-dominated structure. Using a model system of (Al0.69Cr0.31)2O3 which experimentally yields larger fractions of the desired hexagonal α phase, we show that point defects strongly influence the energetic relationships. Since defects and in particular point defects, are unavoidably present in PVD coatings, they are important factors and can strongly influence the stability regions. We explicitly show that defects with low formation energies (e.g. metal Frenkel pairs) are strongly preferred in the cubic phases, hence a reasonable factor contributing to the observed thermodynamically anomalous phase composition.

  20. Defect creation caused by the decay of cation excitons and hot electron hole recombination in wide-gap dielectrics

    NASA Astrophysics Data System (ADS)

    Lushchik, A.; Lushchik, Ch.; Kirm, M.; Nagirnyi, V.; Savikhin, F.; Vasil'chenko, E.

    2006-09-01

    Insufficient radiation resistance of construction materials is the Achilles heel for thermonuclear energetics. In wide-gap dielectrics, Frenkel defects are created not only because of the knock-out (impact) mechanism but also because of the decay of the electronic excitations formed during the irradiation (i.e. due to nonimpact mechanisms). The processes of the defect creation at the irradiation of highly pure LiF single crystals at 6-8 K by 1-30-keV electrons, X-rays, or synchrotron radiation of 12-70 eV have been investigated. The annealing processes of these defects in a temperature range up to 200 K have been studied as well. In LiF, creation has been revealed for the following: (1) F-H pairs caused by the decay of anion excitons or by the recombination of electrons and holes, (2) F'-H-V K and F-I-V K defect groups at the decay of cation excitons (62 eV), or (3) 20-keV electron irradiation. The mechanism of defect creation at the recombination of hot holes and hot electrons has been discussed for α-SiO 2 crystals with an energy gap between the subbands of a valence band. One of the possible ways to suppress this mechanism ("luminescent defence") is doping a material by luminescent impurities able to capture a part of the energy of hot carriers before their relaxation and recombination (e.g. in MgO:Cr).

  1. Facts about Congenital Heart Defects

    MedlinePlus

    ... types of CHDs. The types marked with a star (*) are considered critical CHDs. Atrial Septal Defect Atrioventricular Septal Defect Coarctation of the Aorta * Double-outlet right ventricle* d-Transposition of the great ...

  2. Adults with Congenital Heart Defects

    MedlinePlus

    ... Pressure High Blood Pressure Tools & Resources Stroke More Web Booklet: Adults With Congenital Heart Defects Updated:Apr ... topic from the list below to learn more. Web Booklet: Adults With Congenital Heart Defects Introduction Introduction: ...

  3. Ventricular Septal Defect (For Parents)

    MedlinePlus

    ... of the heart and surrounding organs an electrocardiogram (EKG) , which records the electrical activity of the heart ... What to Expect Congenital Heart Defects Getting an EKG (Video) Heart Murmurs Atrial Septal Defect EKG (Video) ...

  4. Reducing Risks of Birth Defects

    MedlinePlus

    ... Education FAQs Reducing Risks of Birth Defects Patient Education Pamphlets - Spanish Reducing Risks of Birth Defects FAQ146, February 2016 ... Your Practice Patient Safety & Quality Payment Reform (MACRA) Education & Events Annual ... Pamphlets Teen Health About ACOG About Us Leadership & ...

  5. Guidance for Preventing Birth Defects

    MedlinePlus

    ... Lip and Palate Craniosynostosis Down Syndrome Eye Defects Fetal Alcohol Syndrome Disorders Gastroschisis Heart Defects Coarctation of the Aorta ... drank alcohol during the pregnancy, are known as fetal alcohol spectrum disorders (FASDs) . The best advice for women is to ...

  6. Congenital heart defect - corrective surgery

    MedlinePlus

    ... born with one or more heart defects has congenital heart disease . Surgery is needed if the defect could harm ... 2008 Guidelines for the Management of Adults with Congenital Heart Disease: a report of the American College of Cardiology/ ...

  7. Birth Defects Data and Statistics

    MedlinePlus

    ... Websites About Us Information For... Media Policy Makers Data & Statistics Language: English Español (Spanish) Recommend on Facebook ... of birth defects in the United States. For data on specific birth defects, please visit the specific ...

  8. Neural tube defects.

    PubMed

    Greene, Nicholas D E; Copp, Andrew J

    2014-01-01

    Neural tube defects (NTDs), including spina bifida and anencephaly, are severe birth defects of the central nervous system that originate during embryonic development when the neural tube fails to close completely. Human NTDs are multifactorial, with contributions from both genetic and environmental factors. The genetic basis is not yet well understood, but several nongenetic risk factors have been identified as have possibilities for prevention by maternal folic acid supplementation. Mechanisms underlying neural tube closure and NTDs may be informed by experimental models, which have revealed numerous genes whose abnormal function causes NTDs and have provided details of critical cellular and morphological events whose regulation is essential for closure. Such models also provide an opportunity to investigate potential risk factors and to develop novel preventive therapies. PMID:25032496

  9. Neural Tube Defects

    PubMed Central

    Greene, Nicholas D.E.; Copp, Andrew J.

    2015-01-01

    Neural tube defects (NTDs), including spina bifida and anencephaly, are severe birth defects of the central nervous system that originate during embryonic development when the neural tube fails to close completely. Human NTDs are multifactorial, with contributions from both genetic and environmental factors. The genetic basis is not yet well understood, but several nongenetic risk factors have been identified as have possibilities for prevention by maternal folic acid supplementation. Mechanisms underlying neural tube closure and NTDs may be informed by experimental models, which have revealed numerous genes whose abnormal function causes NTDs and have provided details of critical cellular and morphological events whose regulation is essential for closure. Such models also provide an opportunity to investigate potential risk factors and to develop novel preventive therapies. PMID:25032496

  10. Controversies in Parotid Defect Reconstruction.

    PubMed

    Tamplen, Matthew; Knott, P Daniel; Fritz, Michael A; Seth, Rahul

    2016-08-01

    Reconstruction of the parotid defect is a complex topic that encompasses restoration of both facial form and function. The reconstructive surgeon must consider facial contour, avoidance of Frey syndrome, skin coverage, tumor surveillance, potential adjuvant therapy, and facial reanimation when addressing parotid defects. With each defect there are several options within the reconstructive ladder, creating controversies regarding optimal management. This article describes surgical approaches to reconstruction of parotid defects, highlighting areas of controversy. PMID:27400838

  11. Defect mapping system

    DOEpatents

    Sopori, Bhushan L.

    1995-01-01

    Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities.

  12. Mask Blank Defect Detection

    SciTech Connect

    Johnson, M A; Sommargren, G E

    2000-02-04

    Mask blanks are the substrates that hold the master patterns for integrated circuits. Integrated circuits are semiconductor devices, such as microprocessors (mPs), dynamic random access memory (DRAMs), and application specific integrated circuits (ASICs) that are central to the computer, communication, and electronics industries. These devices are fabricated using a set of master patterns that are sequentially imaged onto light-sensitive coated silicon wafers and processed to form thin layers of insulating and conductive materials on top of the wafer. These materials form electrical paths and transistors that control the flow of electricity through the device. For the past forty years the semiconductor industry has made phenomenal improvements in device functionality, compactness, speed, power, and cost. This progress is principally due to the exponential decrease in the minimum feature size of integrated circuits, which has been reduced by a factor of {radical}2 every three years. Since 1992 the Semiconductor Industry Association (SIA) has coordinated the efforts of producing a technology roadmap for semiconductors. In the latest document, ''The International Technology Roadmap for Semiconductors: 1999'', future technology nodes (minimum feature sizes) and targeted dates were specified and are summarized in Table 1. Lithography is the imaging technology for producing a de-magnified image of the mask on the wafer. A typical de-magnification factor is 4. Mask blank defects as small as one-eighth the equivalent minimum feature size are printable and may cause device failure. Defects might be the result of the surface preparation, such as polishing, or contamination due to handling or the environment. Table 2 shows the maximum tolerable defect sizes on the mask blank for each technology node. This downward trend puts a tremendous burden on mask fabrication, particularly in the area of defect detection and reduction. A new infrastructure for mask inspection will be

  13. Defect mapping system

    DOEpatents

    Sopori, B.L.

    1995-04-11

    Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. 20 figures.

  14. Impact of defect occupation on conduction in amorphous Ge2Sb2Te5.

    PubMed

    Kaes, Matthias; Salinga, Martin

    2016-01-01

    Storage concepts employing the resistance of phase-change memory (PRAM) have matured in recent years. Attempts to model the conduction in the amorphous state of phase-change materials dominating the resistance of PRAM devices commonly invoke a connection to the electronic density-of-states (DoS) of the active material in form of a "distance between trap states s". Here, we point out that s depends on the occupation of defects and hence on temperature. To verify this, we numerically study how the occupation in the DoS of Ge2Sb2Te5 is affected by changes of temperature and illumination. Employing a charge-transport model based on the Poole-Frenkel effect, we correlate these changes to the field- and temperature-dependent current-voltage characteristics of lateral devices of amorphous Ge2Sb2Te5, measured in darkness and under illumination. In agreement with our calculations, we find a pronounced temperature-dependence of s. As the device-current depends exponentially on the value of s, accounting for its temperature-dependence has profound impact on device modeling. PMID:27526783

  15. Impact of defect occupation on conduction in amorphous Ge2Sb2Te5

    PubMed Central

    Kaes, Matthias; Salinga, Martin

    2016-01-01

    Storage concepts employing the resistance of phase-change memory (PRAM) have matured in recent years. Attempts to model the conduction in the amorphous state of phase-change materials dominating the resistance of PRAM devices commonly invoke a connection to the electronic density-of-states (DoS) of the active material in form of a “distance between trap states s”. Here, we point out that s depends on the occupation of defects and hence on temperature. To verify this, we numerically study how the occupation in the DoS of Ge2Sb2Te5 is affected by changes of temperature and illumination. Employing a charge-transport model based on the Poole-Frenkel effect, we correlate these changes to the field- and temperature-dependent current-voltage characteristics of lateral devices of amorphous Ge2Sb2Te5, measured in darkness and under illumination. In agreement with our calculations, we find a pronounced temperature-dependence of s. As the device-current depends exponentially on the value of s, accounting for its temperature-dependence has profound impact on device modeling. PMID:27526783

  16. Single and double acceptor-levels of a carbon-hydrogen defect in n-type silicon

    NASA Astrophysics Data System (ADS)

    Stübner, R.; Scheffler, L.; Kolkovsky, Vl.; Weber, J.

    2016-05-01

    In the present study, we discuss the origin of two dominant deep levels (E42 and E262) observed in n-type Si, which is subjected to hydrogenation by wet chemical etching or a dc H-plasma treatment. Their activation enthalpies determined from Laplace deep level transient spectroscopy measurements are EC-0.06 eV (E42) and EC-0.51 eV (E262). The similar annealing behavior and identical depth profiles of E42 and E262 correlate them with two different charge states of the same defect. E262 is attributed to a single acceptor state due to the absence of the Poole-Frenkel effect and the lack of a capture barrier for electrons. The emission rate of E42 shows a characteristic enhancement with the electric field, which is consistent with the assignment to a double acceptor state. In samples with different carbon and hydrogen content, the depth profiles of E262 can be explained by a defect with one H-atom and one C-atom. From a comparison with earlier calculations [Andersen et al., Phys. Rev. B 66, 235205 (2002)], we attribute E42 to the double acceptor and E262 to the single acceptor state of the CH1AB configuration, where one H atom is directly bound to carbon in the anti-bonding position.

  17. The effect of prolonged irradiation on defect production and ordering in Fe-Cr and Fe-Ni alloys.

    PubMed

    Vörtler, K; Juslin, N; Bonny, G; Malerba, L; Nordlund, K

    2011-09-01

    The understanding of the primary radiation damage in Fe-based alloys is of interest for the use of advanced steels in future fusion and fission reactors. In this work Fe-Cr alloys (with 5, 6.25, 10 and 15% Cr content) and Fe-Ni alloys (with 10, 40, 50 and 75% Ni content) were used as model materials for studying the features of steels from a radiation damage perspective. The effect of prolonged irradiation (neglecting diffusion), i.e. the overlapping of single 5 keV displacement cascade events, was studied by molecular dynamics simulation. Up to 200 single cascades were simulated, randomly induced in sequence in one simulation cell, to study the difference between fcc and bcc lattices, as well as initially ordered and random crystals. With increasing numbers of cascades we observed a saturation of Frenkel pairs in the bcc alloys. In fcc Fe-Ni, in contrast, we saw a continuous accumulation of defects: the growth of stacking-fault tetrahedra and a larger number of self-interstitial atom clusters were seen in contrast to bcc alloys. For all simulations the defect clusters and the short range order parameter were analysed in detail depending on the number of cascades in the crystal. We also report the modification of the repulsive part of the Fe-Ni interaction potential, which was needed to study the non-equilibrium processes. PMID:21846941

  18. Insights into stability, electronic properties, defect properties and Li ions migration of Na, Mg and Al-doped LiVPO4F for cathode materials of lithium ion batteries: A first-principles investigation

    NASA Astrophysics Data System (ADS)

    Lv, Xiaojun; Xu, Zhenming; Li, Jie; Chen, Jiangan; Liu, Qingsheng

    2016-07-01

    The effects of Na, Mg and Al doping on the structure, electronic property, defect property and Li ions migration of LiVPO4F were investigated by the first-principles method. Calculations show that the processes of forming Li0.875Na0.125VPO4F, α- and β-LiMg0.375V0.75PO4F, α- and β-LiAl0.125V0.875PO4F are all feasible. Na, Mg and Al doping significantly improve the electrical conductivity of LiVPO4F and simultaneously maintain their structural stability attributing to the reduction of band gaps through variations of V-3d spin up orbitals. Li vacancy defects of LiVPO4F are not ignorable, and vacancy defects with a lower activation energy for Li atom are far more likely to occur than Frenkel defects for Li and vacancy defects for other atoms. For pristine LiVPO4F, path D along [0.012 0 . 17 ̅ 0.572] direction is found to have the lowest activation energy of 0.418 eV, suggesting that anisotropic nature of Li ion conduction and LiVPO4F is a one-dimensional (1D)-ion conductor. The corresponding diffusion coefficient was estimated to be 2.82×10-9 cm2/s, which is in good agreement with those experimental values.

  19. Simulation of temperature dependent dielectric breakdown in n+-polySi/SiO2/n-6H-SiC structures during Poole-Frenkel stress at positive gate bias

    NASA Astrophysics Data System (ADS)

    Samanta, Piyas; Mandal, Krishna C.

    2016-08-01

    We present for the first time a thorough investigation of trapped-hole induced gate oxide deterioration and simulation results of time-dependent dielectric breakdown (TDDB) of thin (7-25 nm) silicon dioxide (SiO2) films thermally grown on (0 0 0 1) silicon (Si) face of n-type 6H-silicon carbide (n-6H-SiC). Gate oxide reliability was studied during both constant voltage and current stress with positive bias on the degenerately doped n-type poly-crystalline silicon (n+-polySi) gate at a wide range of temperatures between 27 and 225 °C. The gate leakage current was identified as the Poole-Frenkel (PF) emission of electrons trapped at an energy 0.92 eV below the SiO2 conduction band. Holes were generated in the n+-polySi anode material as well as in the oxide bulk via band-to-band ionization depending on the film thickness tox and the energy of the hot-electrons (emitted via PF mechanism) during their transport through oxide films at oxide electric fields Eox ranging from 5 to 10 MV/cm. Our simulated time-to-breakdown (tBD) results are in excellent agreement with those obtained from time consuming TDDB measurements. It is observed that irrespective of stress temperatures, the tBD values estimated in the field range between 5 and 9 MV/cm better fit to reciprocal field (1/E) model for the thickness range studied here. Furthermore, for a 10 year projected device lifetime, a good reliability margin of safe operating field from 8.5 to 7.5 MV/cm for 7 nm and 8.1 to 6.9 MV/cm for 25 nm thick SiO2 was observed between 27 and 225 °C.

  20. Common Tests for Congenital Heart Defects

    MedlinePlus

    ... Heart Defect - Fetal Circulation • Care & Treatment • Tools & Resources Web Booklets on Congenital Heart Defects These online publications ... to you or your child’s defect and concerns. Web Booklet: Adults With Congenital Heart Defects Web Booklet: ...

  1. Coloring with defect

    SciTech Connect

    Cowen, L.J.; Goddard, W.; Jesurum, C.E.

    1997-06-01

    An (ordinary vertex) coloring is a partition of the vertices of a graph into independent sets. The chromatic number is the minimum number of colors needed to produce such a partition. This paper considers a relaxation of coloring in which the color classes partition the vertices into subgraphs of degree at most d. d is called the defect of the coloring. A graph which admits a vertex coloring into k color classes, where each vertex is adjacent to at most d self-colored neighbors is said to be (k, d) colorable. We consider defective coloring on graphs of bounded degree, bounded genus, and bounded chromatic number, presenting complexity results and algorithms. For bounded degree graphs, a classic result of Lovasz yields a (k, [{Delta}/k]) coloring for graphs with E edges of maximum degree {Delta} in O({Delta}E) time. For graphs of bounded genus, (2, d), for d > 0 and (3,1)-coloring are proved NP-Complete, even for planar graphs. Results of easily can be transformed to (3,2) color any planar graph in linear time. We show that any toroidal graph is (3,2)- and (5, 1)-colorable, and quadratic-time algorithms are presented that find the colorings. For higher surfaces, we give a linear time algorithm to (3, {radical}12{gamma} + 6) color a graph of genus {gamma} > 2. It is also shown that any graph of genus {gamma} is ({radical}12{gamma}/(d + 1) + 6, d) colorable, and an O(d{radical}{gamma}E + V) algorithm is presented that finds the coloring. These bounds are within a constant factor of what is required for the maximum clique embeddable in the surface. Reductions from ordinary vertex coloring show that (k, d) coloring is NP-complete, and there exists an c > 0 such that no polynomial time algorithm can n{sup {epsilon}}-approximate the defective chromatic number unless P = NP. Most approximation algorithms to approximately color 3-colorable graphs can be extend to allow defects.

  2. The role of native defects in the transport of charge and mass and the decomposition of Li4BN3H10.

    PubMed

    Hoang, Khang; Janotti, Anderson; Van de Walle, Chris G

    2014-12-14

    Li4BN3H10 is of great interest for hydrogen storage and for lithium-ion battery solid electrolytes because of its high hydrogen content and high lithium-ion conductivity, respectively. The practical hydrogen storage application of this complex hydride is, however, limited due to irreversibility and cogeneration of ammonia (NH3) during the decomposition. We report a first-principles density-functional theory study of native point defects and defect complexes in Li4BN3H10, and propose an atomistic mechanism for the material's decomposition that involves mass transport mediated by native defects. In light of this specific mechanism, we argue that the release of NH3 is associated with the formation and migration of negatively charged hydrogen vacancies inside the material, and it can be manipulated by the incorporation of suitable electrically active impurities. We also find that Li4BN3H10 is prone to Frenkel disorder on the Li sublattice; lithium vacancies and interstitials are highly mobile and play an important role in mass transport and ionic conduction. PMID:25335576

  3. Dipole defects in beryl

    NASA Astrophysics Data System (ADS)

    Holanda, B. A.; Cordeiro, R. C.; Blak, A. R.

    2010-11-01

    Dipole defects in gamma irradiated and thermally treated beryl (Be3Al2Si6O18) samples have been studied using the Thermally Stimulated Depolarization Currents (TSDC) technique. TSDC experiments were performed in pink (morganite), green (emerald), blue (aquamarine) and colourless (goshenite) natural beryl. TSDC spectra present dipole peaks at 190K, 220K, 280K and 310K that change after gamma irradiation and thermal treatments. In morganite samples, for thermal treatments between 700K and 1100K, the 280K peak increase in intensity and the band at 220K disappears. An increase of the 280K peak and a decrease of the 190K peak were observed in the TSDC spectra of morganite after a gamma irradiation of 25kGy performed after the thermal treatments. In the case of emerald samples, thermal treatments enhanced the 280K peak and gamma irradiation partially destroyed this band. The goshenite TSDC spectra present only one band at 280K that is not affected either by thermal treatments or by gamma irradiation. All the observed peaks are of dipolar origin because the intensity of the bands is linearly dependent on the polarization field, behaviour of dipole defects. The systematic study, by means of TSDC measurements, of ionizing irradiation effects and thermal treatments in these crystals makes possible a better understanding of the role played by the impurities in beryl crystals.

  4. [Congenital defects and incapacity].

    PubMed

    Jouve de la Barreda, Nicolás

    2009-01-01

    As a whole the congenital defects constitute an important section of the medical attention affecting near 3% of the population. A 15% of spontaneous abortions take place of which the greater frequency corresponds to the chromosome anomalies (25%) and the monogenic mutations (20%) and in a lesser extent to the effects of teratogenic agents. Between the genetic causes determining the congenital defects the mutations that affect genes acting in the early stages of development occupy a main place. These alterations can affect to homeotic genes or monogenic systems that act during the critical phases of the organogenesis. It seems evident that an alteration in the expression of a necessary gene for the appearance of a morphogenetic change constitutes the angular stone to understand resurging of a malformation or discapacity. In the last years has been demonstrated the importance of the teratogenic or environmental agents on the delicate internal physiological balance during the critical stages of the development. In this context must be included the inductive environmental factors inducing epigenetic modifications in the early stage of the development of the embryos produced by fertilization in vitro. PMID:19799481

  5. 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.

  6. Honeycomb lattices with defects

    NASA Astrophysics Data System (ADS)

    Spencer, Meryl A.; Ziff, Robert M.

    2016-04-01

    In this paper, we introduce a variant of the honeycomb lattice in which we create defects by randomly exchanging adjacent bonds, producing a random tiling with a distribution of polygon edges. We study the percolation properties on these lattices as a function of the number of exchanged bonds using an alternative computational method. We find the site and bond percolation thresholds are consistent with other three-coordinated lattices with the same standard deviation in the degree distribution of the dual; here we can produce a continuum of lattices with a range of standard deviations in the distribution. These lattices should be useful for modeling other properties of random systems as well as percolation.

  7. New defect spectroscopies

    NASA Astrophysics Data System (ADS)

    Beling, C. D.

    2002-06-01

    This paper will review progress being made on developing more defect selective forms of positron annihilation spectroscopy (PAS) at the University of Hong Kong. The first of these, positron deep-level transient spectroscopy (PDLTS), parallels conventional deep-level transient spectroscopy (DLTS) except that the positron is used as the probe, either to tell if the defects have vacancies attached to their microstructure (type I PDLTS) or as a simple electric field probe (type II PDLTS). It is shown the more important type I PDLTS has an intrinsic problem brought about by the high donor densities required to operate electrical trap filling. The problem—namely fast positron drift out of the active deep-level region into the reverse biased junction—is suggested as having two solutions. The first is to move to higher positron beam intensities and take spectra of 10 9 events. The second is that by using lower dopant densities (<10 15 cm -3) deep levels may be filled by inter-band optical excitation thus forming the workable technique positron optical (PO)-DLTS. Other techniques briefly considered in this paper are deconvoluted-coincidence Doppler broadening spectroscopy (CDBS) and Fourier transform (FT)-CDBS. Such are seen from a different perspective than most contemporary works, which tend to concentrate on the high momentum region. It is pointed out that the additional root-of-two improvement in hardware resolution and the factor of three improvement gained through deconvolution, can produce final effective resolutions similar to ACAR. Moreover, since in deconvolution, the natural space for regularized solutions is "real crystal space"—it is suggested that the autocorrelation function B2 γ( r) be taken as the experimental CDBS data—not just because it provides easier visualization,—but because data in this form lies directly on the crystal lattice.

  8. Background Defect Density Reduction Using Automated Defect Inspection And Analysis

    NASA Astrophysics Data System (ADS)

    Weirauch, Steven C.

    1988-01-01

    Yield maintenance and improvement is a major area of concern in any integrated circuit manufacturing operation. A major aspect of this concern is controlling and reducing defect density. Obviously, large defect excursions must be immediately addressed in order to maintain yield levels. However, to enhance yields, the subtle defect mechanisms must be reduced or eliminated as well. In-line process control inspections are effective for detecting large variations in the defect density on a real time basis. Examples of in-line inspection strategies include after develop or after etch inspections. They are usually effective for detecting when a particular process segment has gone out of control. However, when a process is running normally, there exists a background defect density that is generally not resolved by in-line process control inspections. The inspection strategies that are frequently used to monitor the background defect density are offline inspections. Offline inspections are used to identify the magnitude and characteristics of the background defect density. These inspections sample larger areas of product wafers than the in-line inspections to allow identification of the defect generating mechanisms that normally occur in the process. They are used to construct a database over a period of time so that trends may be studied. This information enables engineering efforts to be focused on the mechanisms that have the greatest impact on device yield. Once trouble spots in the process are identified, the data base supplies the information needed to isolate and solve them. The key aspect to the entire program is to utilize a reliable data gathering mechanism coupled with a flexible information processing system. This paper describes one method of reducing the background defect density using automated wafer inspection and analysis. The tools used in this evaluation were the KLA 2020 Wafer Inspector, KLA Utility Terminal (KLAUT), and a new software package developed

  9. Facts about Atrial Septal Defect

    MedlinePlus

    ... prevalence estimates for selected birth defects in the United States, 2004-2006. Birth Defects Res A Clin Mol Teratol. 2010;88(12):1008-16. Related Links Disability & Health Family Health History & Genetics Healthy Pregnancy Planning for Pregnancy A-Z ...

  10. Common Types of Heart Defects

    MedlinePlus

    ... American Heart area Search by State SELECT YOUR LANGUAGE Español (Spanish) 简体中文 (Traditional Chinese) 繁体中文 (Simplified Chinese) ... heart defect, treatment options and expected results. The descriptions and pictures of common heart defects that follow ...

  11. Topological defects at finite temperature

    SciTech Connect

    Bazeia, D.; Eboli, O.J.P.; Guerra, J.M. Jr.; Marques, G.C.

    1987-11-15

    We obtain the phase diagram of gauge theories by studying the influence of topologically nontrivial boundary conditions. For this reason, we develop a scheme for computing the free energy of topological defects at finite temperature. As an application, the free energy of topological defects for the minimal SU(5) model are evaluated in the semiclassical approximation.

  12. Amphoteric native defects in semiconductors

    SciTech Connect

    Walukiewicz, W.

    1989-05-22

    We show that a new concept of amphoteric native defects with strongly Fermi level dependent defect formation energy provides the basis for a unified explanation of a large variety of phenomena in semiconductors. Formation of Schottky barriers, particle irradiation induced compensation, doping-induced superlattice intermixing, and limits of free-carrier concentration find for the first time a common simple explanation.

  13. Birth Defects Prevalence and Mortality

    EPA Science Inventory

    This indicator describes the prevalence of birth defects present at birth and mortality rates among infants in the United States between from 1999-2008 and 1979-2007, respectively. Some scientific studies have linked birth defects with environmental exposures. This indicator p...

  14. Antisite defects at oxide interfaces

    NASA Astrophysics Data System (ADS)

    Chen, Hanghui; Millis, Andrew

    We use ab initio calculations to estimate formation energies of cation (transition metal) antisite defects at oxide interfaces and to understand the basic physical effects that drive or suppress the formation of these defects. We find that antisite defects are favored in systems with substantial charge transfer across the interface, while Jahn-Teller distortions and itinerant ferromagnetism can prevent antisite defects and help stabilize atomically sharp interfaces. Our results enable identification of classes of systems that are more and less susceptible to the formation of antisite defects and motivate a range of experimental studies and further theoretical calculations to further explicate the oxide interface systems. This research was supported by National Science Foundation under Grant No. DMR-1120296 (H. Chen) and DOE-ER-046169 (A. J. Millis).

  15. Holographic Chern-Simons defects

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  16. Toward Intelligent Software Defect Detection

    NASA Technical Reports Server (NTRS)

    Benson, Markland J.

    2011-01-01

    Source code level software defect detection has gone from state of the art to a software engineering best practice. Automated code analysis tools streamline many of the aspects of formal code inspections but have the drawback of being difficult to construct and either prone to false positives or severely limited in the set of defects that can be detected. Machine learning technology provides the promise of learning software defects by example, easing construction of detectors and broadening the range of defects that can be found. Pinpointing software defects with the same level of granularity as prominent source code analysis tools distinguishes this research from past efforts, which focused on analyzing software engineering metrics data with granularity limited to that of a particular function rather than a line of code.

  17. Global topological k-defects

    SciTech Connect

    Babichev, E.

    2006-10-15

    We consider global topological defects in symmetry-breaking models with a noncanonical kinetic term. Apart from a mass parameter entering the potential, one additional dimensional parameter arises in such models - a kinetic mass. The properties of defects in these models are quite different from standard global domain walls, vortices, and monopoles, if their kinetic mass scale is smaller than their symmetry-breaking scale. In particular, depending on the concrete form of the kinetic term, the typical size of such a defect can be either much larger or much smaller than the size of a standard defect with the same potential term. The characteristic mass of a nonstandard defect, which might have been formed during a phase transition in the early universe, depends on both the temperature of a phase transition and the kinetic mass.

  18. Nonconsecutive Pars Interarticularis Defects.

    PubMed

    Elgafy, Hossein; Hart, Ryan C; Tanios, Mina

    2015-12-01

    Lumbar spondylolysis is a well-recognized condition occurring in adolescents because of repetitive overuse in sports. Nonconsecutive spondylolysis involving the lumbar spine is rare. In contrast to single-level pars defects that respond well to conservative treatment, there is no consensus about the management of multiple-level pars fractures; a few reports indicated that conservative management is successful, and the majority acknowledged that surgery is often required. The current study presents a rare case of pars fracture involving nonconsecutive segments and discusses the management options. In this case report, we review the patient's history, clinical examination, radiologic findings, and management, as well as the relevant literature. An 18-year-old man presented to the clinic with worsening lower back pain related to nonconsecutive pars fractures at L2 and L5. After 6 months of conservative management, diagnostic computed tomography-guided pars block was used to localize the symptomatic level at L2, which was treated surgically; the L5 asymptomatic pars fracture did not require surgery. At the last follow-up 2 years after surgery, the patient was playing baseball and basketball, and denied any back pain. This article reports a case of rare nonconsecutive pars fractures. Conservative management for at least 6 months is recommended. Successful management depends on the choice of appropriate treatment for each level. Single-photon emission computed tomography scan, and computed tomography-guided pars block are valuable preoperative tools to identify the symptomatic level in such a case. PMID:26665257

  19. Serine biosynthesis and transport defects.

    PubMed

    El-Hattab, Ayman W

    2016-07-01

    l-serine is a non-essential amino acid that is biosynthesized via the enzymes phosphoglycerate dehydrogenase (PGDH), phosphoserine aminotransferase (PSAT), and phosphoserine phosphatase (PSP). Besides its role in protein synthesis, l-serine is a potent neurotrophic factor and a precursor of a number of essential compounds including phosphatidylserine, sphingomyelin, glycine, and d-serine. Serine biosynthesis defects result from impairments of PGDH, PSAT, or PSP leading to systemic serine deficiency. Serine biosynthesis defects present in a broad phenotypic spectrum that includes, at the severe end, Neu-Laxova syndrome, a lethal multiple congenital anomaly disease, intermediately, infantile serine biosynthesis defects with severe neurological manifestations and growth deficiency, and at the mild end, the childhood disease with intellectual disability. A serine transport defect resulting from deficiency of the ASCT1, the main transporter for serine in the central nervous system, has been recently described in children with neurological manifestations that overlap with those observed in serine biosynthesis defects. l-serine therapy may be beneficial in preventing or ameliorating symptoms in serine biosynthesis and transport defects, if started before neurological damage occurs. Herein, we review serine metabolism and transport, the clinical, biochemical, and molecular aspects of serine biosynthesis and transport defects, the mechanisms of these diseases, and the potential role of serine therapy. PMID:27161889

  20. 2010 Defects in Semiconductors GRC

    SciTech Connect

    Shengbai Zhang

    2011-01-06

    Continuing its tradition of excellence, this Gordon Conference will focus on research at the forefront of the field of defects in semiconductors. The conference will have a strong emphasis on the control of defects during growth and processing, as well as an emphasis on the development of novel defect detection methods and first-principles defect theories. Electronic, magnetic, and optical properties of bulk, thin film, and nanoscale semiconductors will be discussed in detail. In contrast to many conferences, which tend to focus on specific semiconductors, this conference will deal with point and extended defects in a broad range of electronic materials. This approach has proved to be extremely fruitful for advancing fundamental understanding in emerging materials such as wide-band-gap semiconductors, oxides, sp{sup 2} carbon based-materials, and photovoltaic/solar cell materials, and in understanding important defect phenomena such as doping bottleneck in nanostructures and the diffusion of defects and impurities. The program consists of about twenty invited talks and a number of contributed poster sessions. The emphasis should be on work which has yet to be published. The large amount of discussion time provides an ideal forum for dealing with topics that are new and/or controversial.

  1. 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

  2. Self healing of defected graphene

    SciTech Connect

    Chen, Jianhui; Shi, Tuwan; Cai, Tuocheng; Wu, Xiaosong; Yu, Dapeng; Xu, Tao; Sun, Litao

    2013-03-11

    For electronics applications, defects in graphene are usually undesirable because of their ability to scatter charge carriers, thereby reduce the carrier mobility. It would be extremely useful if the damage can be repaired. In this work, we employ Raman spectroscopy, X-ray photoemission spectroscopy, transmission electron microscopy, and electrical measurements to study defects in graphene introduced by argon plasma bombardment. We have found that majority of these defects can be cured by a simple thermal annealing process. The self-healing is attributed to recombination of mobile carbon adatoms with vacancies. With increasing level of plasma induced damage, the self-healing becomes less effective.

  3. Reproduction and Survival After Cardiac Defect Repair

    ClinicalTrials.gov

    2016-02-17

    Cardiovascular Diseases; Heart Diseases; Defect, Congenital Heart; Aortic Valve Stenosis; Transposition of Great Vessels; Ductus Arteriosus, Patent; Heart Septal Defects, Atrial; Heart Septal Defects, Ventricular; Down Syndrome; Tetralogy of Fallot; Pulmonic Stenosis; Coarctation of Aorta

  4. Folic acid and birth defect prevention

    MedlinePlus

    ... of certain birth defects. These include spina bifida, anencephaly, and some heart defects. Experts recommend women who ... Women who have had a baby with a neural tube defect may need a higher dose of folic acid. ...

  5. Care and Treatment for Congenital Heart Defects

    MedlinePlus

    ... Physical Activity Recommendations for Heart Health • Tools & Resources Web Booklets on Congenital Heart Defects These online publications ... to you or your child’s defect and concerns. Web Booklet: Adults With Congenital Heart Defects Web Booklet: ...

  6. Effects of defects in composite structures

    NASA Technical Reports Server (NTRS)

    Sendeckyj, G. P.

    1983-01-01

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

  7. Herpes simplex virus amplicon: effect of size on replication of constructed defective genomes containing eucaryotic DNA sequences.

    PubMed Central

    Kwong, A D; Frenkel, N

    1984-01-01

    Previous studies (R. R. Spaete and N. Frenkel, Cell 30:295-304, 1982) have documented the potential use of defective virus vectors (amplicons) derived from herpes simplex virus for the efficient introduction of foreign DNA sequences into eucaryotic cells. Specifically, cotransfection of cells with helper virus DNA and cloned amplicons (8 to 10 kilobases [kb]) containing bacterial plasmid DNA sequences linked to a set of herpes simplex virus cis-acting propagation signals (a replication origin and a cleavage-packaging signal) resulted in the generation of virus stocks containing packaged defective genomes that consisted of uniform head-to-tail reiterations of the chimeric seed amplicon sequences. The chimeric defective genomes could be stably propagated in virus stocks and could thus be used to efficiently infect cells. We now report on additional studies designed to propagate relatively large sets of eucaryotic DNA sequences within chimeric packaged defective genomes. These studies have utilized a 12-kb chicken DNA sequence encoding the chicken ovalbumin gene and cloned by Lai et al. (Proc. Natl. Acad. Sci. U.S.A. 77:244-248, 1980) in the plasmid pOV12. Virus stocks derived from cells cotransfected with helper virus DNA and chimeric amplicons (overall size of 19.8 kb, of which 12 kb corresponded to the chicken DNA) contained defective genomes composed of reiterations of the 19.8-kb seed amplicon sequences. However, in addition to the authentically sized repeat units, defective genomes in the derivative virus stocks contained smaller repeat units representing deleted versions of the seed 19.8-kb amplicons. The recombinational events leading to the formation of deleted repeats did not appear to occur at unique sites, as shown by comparative analyses of multiple, independently generated virus series propagated from separate transfections. In contast, seed amplicons ranging in size from 11 to 15 kb and containing subsets of the 12-kb chicken DNA sequences replicated

  8. EUVL defect printability: an industry challenge

    NASA Astrophysics Data System (ADS)

    Kwon, Hyuk Joo; Teki, Ranganath; Harris-Jones, Jenah; Cordes, Aaron

    2012-02-01

    Extreme ultraviolet (EUV) patterning appears feasible using currently available EUV exposure tools, but some issues must still be resolved for EUV patterning to be used in production. Defects in EUV mask blanks are one such major issue, as evidenced by the research focused on defect printability. Inspection tools are needed to detect phase defects on EUV mask blanks that could possibly print on the wafer. Currently available inspection tools can capture defects on the mask, but they also need to be able to classify possible printable defects. Defect classification for repair and mitigation of printable defects is very difficult using DUV inspection tools; however, if the actinic inspection tool (AIT) could gather defect information from more multilayer stacks, it may be able to separate printable defects from unprintable defects. If unprintable defects could be eliminated, the defect information could be used for mask pattern shifts to reduce printable defects. Fewer defects would need to be repaired if there were a better chance of capturing printable defects using an actinic inspection tool. Being able to detect printable defects on EUV blanks is therefore critical in mask making. In this paper, we describe the characterization of native phase defects in the manufacturing of EUV mask blanks using the state-of-the-art mask metrology equipment in SEMATECH's Mask Blank Development Center (MBDC). Commercially available quartz substrates were used and Mo/Si multilayers were deposited on the substrates to characterize phase defects. Programmed defects of various dimensions were also prepared using e-beam patterning technology on which multilayers were deposited. Transmission electron microscopy (TEM) was used to study multilayer profile changes, while SEMATECH's AIT was used to image defects and predict their printability. A defect library for native defects and printability of programmed phase defects is introduced. Finally technical challenges for EUV defect

  9. Facts about Ventricular Septal Defect

    MedlinePlus

    ... The size of the ventricular septal defect will influence what symptoms, if any, are present, and whether ... this image. Close Information For... Media Policy Makers Language: English Español (Spanish) File Formats Help: How do ...

  10. Sequential detection of web defects

    DOEpatents

    Eichel, Paul H.; Sleefe, Gerard E.; Stalker, K. Terry; Yee, Amy A.

    2001-01-01

    A system for detecting defects on a moving web having a sequential series of identical frames uses an imaging device to form a real-time camera image of a frame and a comparitor to comparing elements of the camera image with corresponding elements of an image of an exemplar frame. The comparitor provides an acceptable indication if the pair of elements are determined to be statistically identical; and a defective indication if the pair of elements are determined to be statistically not identical. If the pair of elements is neither acceptable nor defective, the comparitor recursively compares the element of said exemplar frame with corresponding elements of other frames on said web until one of the acceptable or defective indications occur.

  11. Congenital Heart Defects (For Parents)

    MedlinePlus

    ... in utero. previous continue Common Heart Defects (cont.) Patent Ductus Arteriosus (PDA) The ductus arteriosus is a ... newborn's lungs. PDA is common in premature babies . Patent Foramen Ovale (PFO) The patent foramen ovale is ...

  12. Impact of Congenital Heart Defects

    MedlinePlus

    ... complex lesions, limitations are common. Some children with congenital heart disease have developmental delay or other learning difficulties. What ... defects? Successful treatment requires highly specialized care. Severe congenital heart disease requires extensive financial resources both in and out ...

  13. Stable line defects in silicene

    NASA Astrophysics Data System (ADS)

    Ghosh, Dibyajyoti; Parida, Prakash; Pati, Swapan K.

    2015-11-01

    Line defects in two-dimensional (2D) materials greatly modulate various properties of their pristine form. Using ab initio molecular dynamics (AIMD) simulations, we investigate the structural reconstructions of different kinds of grain boundaries in the silicene sheets. It is evident that depending upon the presence of silicon adatoms and edge shape of grain boundaries (i.e., armchair or zigzag), stable extended line defects (ELDs) can be introduced in a controlled way. Further studies show the stability of these line-defects in silicene, grown on Ag(111) surface at room-temperature. Importantly, unlike most of the 2D sheet materials such as graphene and hexagonal boron nitride, 5-5-8 line defects modify the nonmagnetic semimetallic pristine silicene sheet to spin-polarized metal. As ferromagnetically ordered magnetic moments remain strongly localized at the line defect, a one-dimensional spin channel gets created in silicene. Interestingly, these spin channels are quite stable because, unlike the edge of nanoribbons, structural reconstruction or contamination cannot destroy the ordering of magnetic moments here. Zigzag silicene nanoribbons with a 5-5-8 line defect also exhibit various interesting electronic and magnetic properties depending upon their width as well as the nature of the magnetic coupling between edge and defect spin states. Upon incorporation of other ELDs, such as 4-4-4 and 4-8 defects, 2D sheets and nanoribbons of silicene show a nonmagnetic metallic or semiconducting ground state. Highlighting the controlled formation of ELDs and consequent emergence of technologically important properties in silicene, we propose new routes to realize silicene-based nanoelectronic and spintronic devices.

  14. Core hysteresis in nematic defects

    NASA Astrophysics Data System (ADS)

    Kralj, Samo; Virga, Epifanio G.

    2002-08-01

    We study field-induced transformations in the biaxial core of a nematic disclination with strength m=1, employing the Landau-de Gennes order tensor parameter Q. We first consider the transition from the defectless escaped radial structure into the structure hosting a line defect with a negative uniaxial order parameter along the axis of a cylinder of radius R. The critical field of the transition monotonically increases with R and asymptotically approaches a value corresponding to ξb/ξf~0.3, where the correlation lengths ξb and ξf are related to the biaxial order and the external field, respectively. Then, in the same geometry, we focus on the line defect structure with a positive uniaxial ordering along the axis, surrounded by the uniaxial sheath, the uniaxial cylinder of radius ξu with negative order parameter and director in the transverse direction. We study the hysteresis in the position of the uniaxial sheath upon increasing and decreasing the field strength. In general, two qualitatively different solutions exist, corresponding to the uniaxial sheath located close to the defect symmetry axis or close to the cylinder wall. This latter solution exists only for strong enough anchorings. The uniaxial sheath is for a line defect what the uniaxial ring is for a point defect: by resorting to an approximate analytic estimate, we show that essentially the same hysteresis exhibited by the uniaxial sheath is expected to occur at the uniaxial ring in the core structure of a point defect.

  15. Topological defects from the multiverse

    SciTech Connect

    Zhang, Jun; Blanco-Pillado, Jose J.; Garriga, Jaume; Vilenkin, Alexander

    2015-05-28

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble.

  16. Topological defects from the multiverse

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Blanco-Pillado, Jose J.; Garriga, Jaume; Vilenkin, Alexander

    2015-05-01

    Many theories of the early universe predict the existence of a multiverse where bubbles continuously nucleate giving rise to observers in their interior. In this paper, we point out that topological defects of several dimensionalities will also be produced in de Sitter like regions of the multiverse. In particular, defects could be spontaneously nucleated in our parent vacuum. We study the evolution of these defects as they collide with and propagate inside of our bubble. We estimate the present distribution of defects in the observable part of the universe. The expected number of such nearby defects turns out to be quite small, even for the highest nucleation rate. We also study collisions of strings and domain walls with our bubble in our past light cone. We obtain simulated full-sky maps of the loci of such collisions, and find their angular size distribution. Similarly to what happens in the case of bubble collisions, the prospect of detecting any collisions of our bubble with ambient defects is greatly enhanced in the case where the cosmological constant of our parent vacuum is much higher than the vacuum energy density during inflation in our bubble.

  17. The Electronic and Structural Properties of KDP: Effect of Hydrogen Defects

    NASA Astrophysics Data System (ADS)

    Kioussis, Nicholas

    2003-03-01

    Potassium dihydrogen phosphate, KH_2PO_4(KDP), is the prototype for a series of hydrogen-bonded ferroelectrics whose properties have attracted wide and sustained interest, due to its nonlinear optical and electro-optical properties. However, laser-induced optical absorption may appear, which in turn leads to limitation in device performance. Hydrogen point defects occurring during crystal growth or produced by radiation during use, have been suggested to play an important role in the optical damage process of KDP materials. We have carried out ab initio total-energy density functional theory (DFT) electronic structure calculations for 1) the paraelectric and ferroelectric phases of pure KDP, and 2) for the intrinsic (Frenkel pair) and extrinsic (vacancy or interstitial) H point defects in both their neutral and charged states. For the pure KDP, the calculations reveal that the distance, δ, between the two equilibrium positions of the H along the O-O bond in the paraelectric phase depends on both the O-O bond length and the coordinated motion of the heavier P and K atoms. The results reconcile the previously proposed tunneling and geometric phenomenological models. For the H vacancy, the added hole is trapped and shared by the two O atoms adjacent to the vacancy, reducing dramatically the O-O bond length and introducing states in the gap, in sharp contrast with its neutral state. Thus, the calculations confirm the experimental suggestion that the positively charged vacancy is the relevant absorbing center. On the other hand, the H vacancy in its negatively charged state leads to an increase of the two O atoms close to H vacancy and does not induce states in the gap. The H interstitial in its negatively charged state causes a H atom to leave its regular lattice site and to form a H2 molecule, leaving behind a H vacancy. This result is also in agreement with experimental suggestions. The calculated diffusion paths and energy barriers indicate that the presence of

  18. Deep-level defects introduced by 1 MeV electron radiation in AlInGaP for multijunction space solar cells

    SciTech Connect

    Lee, H.S.; Yamaguchi, M.; Ekins-Daukes, N. J.; Khan, A.; Takamoto, T.; Agui, T.; Kamimura, K.; Kaneiwa, M.; Imaizumi, M.; Ohshima, T.; Itoh, H.

    2005-11-01

    Presented in this paper are 1 MeV electron irradiation effects on wide-band-gap (1.97 eV) (Al{sub 0.08}Ga{sub 0.92}){sub 0.52}In{sub 0.48}P diodes and solar cells. The carrier removal rate estimated in p-AlInGaP with electron fluence is about 1 cm{sup -1}, which is lower than that in InP and GaAs. From high-temperature deep-level transient spectroscopy measurements, a deep-level defect center such as majority-carrier (hole) trap H2 (E{sub {nu}}+0.90{+-}0.05 eV) was observed. The changes in carrier concentrations ({delta}p) and trap densities as a function of electron fluence were compared, and as a result the total introduction rate, 0.39 cm{sup -1}, of majority-carrier trap centers (H1 and H2) is different from the carrier removal rate, 1 cm{sup -1}, in p-AlInGaP. From the minority-carrier injection annealing (100 mA/cm{sup 2}), the annealing activation energy of H2 defect is {delta}E=0.60 eV, which is likely to be associated with a vacancy-phosphorus Frenkel pair (V{sub p}-P{sub i}). The recovery of defect concentration and carrier concentration in the irradiated p-AlInGaP by injection relates that a deep-level defect H2 acts as a recombination center as well as compensator center.

  19. Defects formation and wave emitting from defects in excitable media

    NASA Astrophysics Data System (ADS)

    Ma, Jun; Xu, Ying; Tang, Jun; Wang, Chunni

    2016-05-01

    Abnormal electrical activities in neuronal system could be associated with some neuronal diseases. Indeed, external forcing can cause breakdown even collapse in nervous system under appropriate condition. The excitable media sometimes could be described by neuronal network with different topologies. The collective behaviors of neurons can show complex spatiotemporal dynamical properties and spatial distribution for electrical activities due to self-organization even from the regulating from central nervous system. Defects in the nervous system can emit continuous waves or pulses, and pacemaker-like source is generated to perturb the normal signal propagation in nervous system. How these defects are developed? In this paper, a network of neurons is designed in two-dimensional square array with nearest-neighbor connection type; the formation mechanism of defects is investigated by detecting the wave propagation induced by external forcing. It is found that defects could be induced under external periodical forcing under the boundary, and then the wave emitted from the defects can keep balance with the waves excited from external forcing.

  20. Effective actions for bosonic topological defects

    NASA Technical Reports Server (NTRS)

    Gregory, Ruth

    1990-01-01

    A gauge field theory is considered which admits p-dimensional topological defects, expanding the equations of motion in powers of the defect thickness. In this way an effective action and effective equation of motion is derived for the defect in terms of the coordinates of the p-dimensional worldsurface defined by the history of the core of the defect.

  1. Defects in conformal field theory

    NASA Astrophysics Data System (ADS)

    Billò, Marco; Gonçalves, Vasco; Lauria, Edoardo; Meineri, Marco

    2016-04-01

    We discuss consequences of the breaking of conformal symmetry by a flat or spherical extended operator. We adapt the embedding formalism to the study of correlation functions of symmetric traceless tensors in the presence of the defect. Two-point functions of a bulk and a defect primary are fixed by conformal invariance up to a set of OPE coefficients, and we identify the allowed tensor structures. A correlator of two bulk primaries depends on two cross-ratios, and we study its conformal block decomposition in the case of external scalars. The Casimir equation in the defect channel reduces to a hypergeometric equation, while the bulk channel blocks are recursively determined in the light-cone limit. In the special case of a defect of codimension two, we map the Casimir equation in the bulk channel to the one of a four-point function without defect. Finally, we analyze the contact terms of the stress-tensor with the extended operator, and we deduce constraints on the CFT data. In two dimensions, we relate the displacement operator, which appears among the contact terms, to the reflection coefficient of a conformal interface, and we find unitarity bounds for the latter.

  2. Defects in ZnO

    NASA Astrophysics Data System (ADS)

    McCluskey, M. D.; Jokela, S. J.

    2009-10-01

    Zinc oxide (ZnO) is a wide band gap semiconductor with potential applications in optoelectronics, transparent electronics, and spintronics. The high efficiency of UV emission in this material could be harnessed in solid-state white lighting devices. The problem of defects, in particular, acceptor dopants, remains a key challenge. In this review, defects in ZnO are discussed, with an emphasis on the physical properties of point defects in bulk crystals. As grown, ZnO is usually n-type, a property that was historically ascribed to native defects. However, experiments and theory have shown that O vacancies are deep donors, while Zn interstitials are too mobile to be stable at room temperature. Group-III (B, Al, Ga, and In) and H impurities account for most of the n-type conductivity in ZnO samples. Interstitial H donors have been observed with IR spectroscopy, while substitutional H donors have been predicted from first-principles calculations but not observed directly. Despite numerous reports, reliable p-type conductivity has not been achieved. Ferromagnetism is complicated by the presence of secondary phases, grain boundaries, and native defects. The famous green luminescence has several possible origins, including Cu impurities and Zn vacancies. The properties of group-I (Cu, Li, and Na) and group-V (N, P, As, and Sb) acceptors, and their complexes with H, are discussed. In the future, doping of ZnO nanocrystals will rely on an understanding of these fundamental properties.

  3. Topological defects on the lattice

    NASA Astrophysics Data System (ADS)

    Aasen, David; Mong, Roger; Fendley, Paul

    We construct defects in two-dimensional classical lattice models and one-dimensional quantum chains that are topologically invariant in the continuum limit. We show explicitly that these defect lines and their trivalent junctions commute with the transfer matrix/Hamiltonian. The resulting splitting and joining properties of the defect lines are exactly those of anyons in a topological phase. One useful consequence is an explicit definition of twisted boundary conditions that yield the precise shift in momentum quantization, and so provide a natural way of relating microscopic and macroscopic properties. Another is a generalization of Kramers-Wannier duality to a wide class of height models. Even more strikingly, we derive the modular transformation matrices explicitly and exactly from purely lattice considerations. We develop this construction for a variety of examples including the two-dimensional Ising model. Institute for Quantum Information and Matter, an NSF physics frontier center with support from the Moore Foundation. NSERC-PGSD.

  4. Defect CFTs and holographic multiverse

    SciTech Connect

    Fiol, Bartomeu

    2010-07-01

    We investigate some aspects of a recent proposal for a holographic description of the multiverse. Specifically, we focus on the implications on the suggested duality of the fluctuations of a bubble separating two universes with different cosmological constants. We do so by considering a similar problem in a 2+1 CFT with a codimension one defect, obtained by an M5-brane probe embedding in AdS{sub 4} × S{sup 7}, and studying its spectrum of fluctuations. Our results suggest that the kind of behavior required by the spectrum of bubble fluctuations is not likely to take place in defect CFTs with an AdS dual, although it might be possible if the defect supports a non-unitary theory.

  5. [Visual field defects in hydrocephalus].

    PubMed

    Kojima, N; Tamaki, N; Hosoda, K; Matsumoto, S

    1985-03-01

    Eight patients representing visual field defects associated with hydrocephalus are reviewed. Seven cases had aqueductal stenosis and one had congenital communicating hydrocephalus. We found five cases of defects in visual field typical of a chiasmal or optic nerve lesion: (1) inferior altitudinal hemianopia with inferior nasal quadrantanopia in the opposite eye; (2) inferior binasal quadrantanopia; (3) unilateral inferior nasal depression; (4) unilateral temporal defect; (5) bilateral central scotoma. In these cases CT demonstrated moderate or marked symmetrical dilatation of the third and lateral ventricles. Four out of five cases showed bulging of the third ventricle anteriorly into the sella turcica on CT or ventriculography. Other three patients had incongruous homonymous hemianopia. Characteristic asymmetrical dilatation of the lateral ventricles was noted in all three cases. The more enlarged lateral ventricles were ipsilateral with the affected visual pathways. The sites of lesion responsible for these field defects seemed to be optic tract in one case and optic radiation in two cases. Ventriculoperitoneal shunt was placed in five out of seven cases. Impaired visual field improved in three patients after shunt insertion. A 28-year-old female who had history of blurred vision fos 14 days showed improvement in visual acuity and field when the enlarged ventricles became slit-like by shunting. In the other two patients defects in visual fields improved in spite of consistent ventriculomegaly. These facts suggested that not only the mechanical forces with distended third ventricle but also increased intracranial pressure played an important role in producing visual field defects in hydrocephalic patients. PMID:3874634

  6. Interface effects on calculated defect levels for oxide defects

    NASA Astrophysics Data System (ADS)

    Edwards, Arthur; Barnaby, Hugh; Schultz, Peter; Pineda, Andrew

    2014-03-01

    Density functional theory (DFT) has had impressive recent success predicting defect levels in insulators and semiconductors [Schultz and von Lillienfeld, 2009]. Such success requires care in accounting for long-range electrostatic effects. Recently, Komsa and Pasquarello have started to address this problem in systems with interfaces. We report a multiscale technique for calculating electrostatic energies for charged defects in oxide of the metal-oxide-silicon (MOS) system, but where account is taken of substrate doping density, oxide thickness, and gate bias. We use device modeling to calculate electric fields for a point charge a fixed distance from the interface, and used the field to numerically calculate the long-range electrostatic interactions. We find, for example, that defect levels in the oxide do depend on both the magnitude and the polarity the substrate doping density. Furthermore, below 20 Å, oxide thickness also has significant effects. So, transferring results directly from bulk calculations leads to inaccuracies up to 0.5 eV- half of the silicon band gap. We will present trends in defect levels as a function of device parameters. We show that these results explain previous experimental results, and we comment on their potential impact on models for NBTI. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under co.

  7. Defects in metals. [Positron annihilation spectroscopy

    SciTech Connect

    Siegel, R.W.

    1982-06-01

    The application of positron annihilation spectroscopy (PAS) to the study of defects in metals has led to increased knowledge on lattice-defect properties during the past decade in two areas: the determination of atomic defect properties, particularly those of monovacancies, and the monitoring and characterization of vacancy-like microstructure development during post-irradiation and post-quench annealing. The study of defects in metals by PAS is reviewed within the context of the other available techniques for defect studies. The strengths and weaknesses of PAS as a method for the characterization of defect microstructures are considered. The additional possibilities for using the positron as a localized probe of the atomic and electronic structures of atomic defects are discussed, based upon theoretical calculations of the annihilation characteristics of defect-trapped positrons and experimental observations. Finally, the present status and future potential of PAS as a tool for the study of defects in metals is considered. 71 references, 9 figures.

  8. Thermal properties of defect melting

    NASA Astrophysics Data System (ADS)

    Ami, S.; Hofsäss, T.; Horsley, R.

    1984-03-01

    Using mean field theory and high temperature expansions the transition temperature, entropy jump and heat capacity are calculated in the recent microscopic model of defect melting proposed by Kleinert. The results are compared with the experimental data for almost isotropic substances.

  9. Birth Defects and Adolescent Pregnancies

    ERIC Educational Resources Information Center

    Walters, James

    1975-01-01

    Home economists who work with adolescents can help prepare them for responsible parenthood later in life by explaining the known causes of various birth defects; providing basic information about human genetics, prenatal nutrition, and drug and alcohol effects; and motivating adolescents to exercise increased responsibility in their sexual…

  10. Birth Defects Research and Tracking

    MedlinePlus

    ... support families affected by them. Read about the work taking place in each state » National Birth Defects Prevention Network (NBDPN) CDC supports and collaborates with the NBDPN. The NBDPN is a group of over 225 individuals working at the national, state, and local levels, who ...

  11. Defect Location Using Capacitative Imaging

    NASA Astrophysics Data System (ADS)

    Diamond, G. G.; Hutchins, D. A.; Gan, T. H.

    2008-02-01

    Further details of a novel capacitance sensing technique are presented, which is capable of imaging defects within a range of materials, including insulators, conductors and fibre reinforced composites. Representative results from each of these separate classes of material are presented here as are the results of real-life field trials in the inspection of civil structures.

  12. Screening Tests for Birth Defects

    MedlinePlus

    Member Login Join Pay Dues Follow us: Women's Health Care Physicians Contact Us My ACOG ACOG Departments Donate Shop Career Connection Home Resources & Publications Practice Management Education & Events Advocacy For Patients About ACOG Screening Tests for Birth Defects Home For Patients Search FAQs ...

  13. Photographic Screening for Eye Defects

    NASA Technical Reports Server (NTRS)

    Richardson, J.

    1985-01-01

    Images of retinas examined for characteristic patterns. Color photographs of retinas taken. Proper alinement of eye obtained by asking subject to gaze at light-emitting diode. "Red-eye" patterns in resulting color photographs examined by trained observers for signs of ocular defects. System used to check power of contact lenses and eyeglasses by taking photographs with these items in place.

  14. Brane inflation and defect formation.

    PubMed

    Davis, Anne-Christine; Brax, Philippe; van de Bruck, Carsten

    2008-08-28

    Brane inflation and the production of topological defects at the end of the inflationary phase are discussed. After a description of the inflationary set-up, we discuss the properties of the cosmic strings produced at the end of inflation. Specific examples of brane inflation are described, such as D-D , D3/D7 and modular inflations. PMID:18534933

  15. Surface defects on thin cryosections.

    PubMed

    Frederik, P M; Busing, W M; Persson, A

    1984-01-01

    The electron microscopic observation of thin cryosections is frequently impaired by the occurrence of surface defects. To investigate the possible causes of these surface defects the structure of cryosections ( CTEM ) from frozen biological material was correlated with the structure of the block-face (SEM) from which the sections were obtained. Both sections and block-face showed steps with a periodicity larger than 0.5 micron. Upon dry sectioning of hard plastic comparable features were observed in the section ( CTEM /SEM) and block-face (SEM). Thin cryosections cut below 143 K were found to be smooth apart from defects introduced by imperfections of the knife. In addition to "long" wave length distortions, a periodical distortion smaller than 120 nm can be observed in cryosections from biological material. At a given temperature the frequency is related to the sectioning speed. At all sectioning temperatures studied, distortions of this high frequency/short wave length type have been observed although they were less conspicuous in thinner sections. The surface defects observed in cryosections from biological material resemble the defects found after metal cutting and chip-formation. Shear forces seem to be the main causes for the observed periodic deformations on both cryosections as well as on sections from metals and plastics. This may imply that material is collected and periodically shedded from a dead zone around the knife edge. In metal cutting such a dead zone can have the form of a built-up-edge on top of the knife or as a small overhang in front of the knife edge. PMID:6377477

  16. Defects and disorder in metal organic frameworks.

    PubMed

    Cheetham, Anthony K; Bennett, Thomas D; Coudert, François-Xavier; Goodwin, Andrew L

    2016-03-14

    The wide-ranging properties of metal organic frameworks (MOFs) rely in many cases on the presence of defects within their structures and the disorder that is inevitably associated with such defects. In the present work we review several aspects of defects in MOFs, ranging from simple substitutional defects at metal cation or ligand positions, to correlated defects on a larger length scale and the extreme case of disorder associated with amorphous MOFs. We consider both porous and dense MOFs, and focus particularly on the way in which defects and disorder can be used to tune physical properties such as gas adsorption, catalysis, photoluminescence, and electronic and mechanical properties. PMID:26836459

  17. Electrical characterization of alpha radiation-induced defects in p-GaAs grown by metal-organic chemical-vapor deposition

    SciTech Connect

    Naz, Nazir A.; Qurashi, Umar S.; Iqbal, M. Zafar

    2007-03-15

    Investigations of the alpha particle irradiation-induced defects in low-pressure metal-organic chemical-vapor deposition grown p-GaAs have been carried out. By employing deep-level transient spectroscopy, at least seven radiation-induced deep-level defects have been observed in the lower half of the band gap in the temperature range of 12-475 K. Double-correlation deep-level transient spectroscopy measurements show three prominent levels: two known radiation-induced levels namely, H{alpha}1 and H{alpha}5, and one inadvertent center HSA, present before irradiation, to exhibit a significant dependence of thermal emission rate on the junction electric field. For H{alpha}1 and HSA the field-enhanced emission data are well fitted with a Poole-Frenkel model, using a three-dimensional square-well potential with radius r=3.2 and 1.43 nm, respectively. The field effect for H{alpha}5 has been explained by a square-well potential in combination with a phonon-assisted tunneling process. Detailed data on the carrier capture cross section for all three levels have been obtained. The hole capture cross section for the levels H{alpha}1 and H{alpha}5 are found to be temperature independent, while for HSA, the hole capture data show a dependence on temperature. The dependence of hole capture cross section of HSA on temperature has been explained in terms of multiphonon capture mechanism, yielding a capture barrier of 0.13 eV and {sigma}({infinity})=1.5x10{sup -14} cm{sup 2}. These analyses lead us to conclude that the levels H{alpha}1 and HSA are associated with a charged center, while the level H{alpha}5 is most likely a substitutional defect in GaAs.

  18. Instabilities, defects, and defect ordering in an overdamped active nematic.

    PubMed

    Putzig, Elias; Redner, Gabriel S; Baskaran, Arvind; Baskaran, Aparna

    2016-05-01

    We consider a phenomenological continuum theory for an extensile, overdamped active nematic liquid crystal, applicable in the dense regime. Constructed from general principles, the theory is universal, with parameters independent of any particular microscopic realization. We show that it exhibits two distinct instabilities, one of which arises due to shear forces, and the other due to active torques. Both lead to the proliferation of defects. We focus on the active torque bend instability and find three distinct nonequilibrium steady states including a defect-ordered nematic in which +½ disclinations develop polar ordering. We characterize the phenomenology of these phases and identify the relationship of this theoretical description to experimental realizations and other theoretical models of active nematics. PMID:26983376

  19. 3D surface defect analysis and evaluation

    NASA Astrophysics Data System (ADS)

    Yang, B.; Jia, M.; Song, G. J.; Tao, L.; Harding, K. G.

    2008-08-01

    A method is proposed for surface defect analysis and evaluation. Good 3D point clouds can now be obtained through a variety of surface profiling methods such as stylus tracers, structured light, or interferometry. In order to inspect a surface for defects, first a reference surface that represents the surface without any defects needs to be identified. This reference surface can then be fit to the point cloud. The algorithm we present finds the least square solution for the overdetermined equation set to obtain the parameters of the reference surface mathematical description. The distance between each point within the point cloud and the reference surface is then calculated using to the derived reference surface equation. For analysis of the data, the user can preset a threshold distance value. If the calculated distance is bigger than the threshold value, the corresponding point is marked as a defect point. The software then generates a color-coded map of the measured surface. Defect points that are connected together are formed into a defect-clustering domain. Each defect-clustering domain is treated as one defect area. We then use a clustering domain searching algorithm to auto-search all the defect areas in the point cloud. The different critical parameters used for evaluating the defect status of a point cloud that can be calculated are described as: P-Depth,a peak depth of all defects; Defect Number, the number of surface defects; Defects/Area, the defect number in unit area; and Defect Coverage Ratio which is a ratio of the defect area to the region of interest.

  20. Defect characterization in plastically deformed gallium arsenide

    SciTech Connect

    Leipner, H.S.; Huebner, C.; Storbeck, O.; Polity, A.; Krause-Rehberg, R.

    1996-12-31

    The defect spectrum in plastically deformed GaAs is analyzed by positron lifetime measurements. Different types of defects, such as vacancy clusters or antisites, are identified and their thermal annealing behavior is studied.

  1. 7 CFR 51.2659 - Condition defects.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Standards for Grades for Sweet Cherries 1 Definitions § 51.2659 Condition defects. Condition defects means... soft cherries and such factors as pitting, shriveling, sunken areas, brown discoloration and...

  2. Dental Enamel Defects and Celiac Disease

    MedlinePlus

    ... Nutrition Home : Dental Enamel Defects and Celiac Disease Dental Enamel Defects and Celiac Disease Celiac disease manifestations ... affecting any organ or body system. One manifestation—dental enamel defects—can help dentists and other health ...

  3. 16 CFR 1115.4 - Defect.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... understanding the concept of defect as used in the CPSA, the following examples are offered: (a) An electric... hazard it presents. The kite contains a design defect. (d) A power tool is not accompanied by...

  4. METROPOLITAN ATLANTA CONGENITAL DEFECTS PROGRAM (MACDP)

    EPA Science Inventory

    The Metropolitan Atlanta Congenital Defects Program (MACDP) was established in 1967 by the Centers for Disease Control and Prevention with Emory University and the Georgia Mental Health Institute as the nation's first population-based active ascertainment birth defects surveillan...

  5. Understand Your Risk for Congenital Heart Defects

    MedlinePlus

    ... health problems than their parents. Learn more about genetic counseling . Single gene: Rarely, congenital heart defects are caused ... of Congenital Heart Defects • Understand Your Risk Introduction Genetic Counseling • Symptoms & Diagnosis • Care & Treatment • Tools & Resources Related Sites ...

  6. Automatic classification of blank substrate defects

    NASA Astrophysics Data System (ADS)

    Boettiger, Tom; Buck, Peter; Paninjath, Sankaranarayanan; Pereira, Mark; Ronald, Rob; Rost, Dan; Samir, Bhamidipati

    2014-10-01

    Mask preparation stages are crucial in mask manufacturing, since this mask is to later act as a template for considerable number of dies on wafer. Defects on the initial blank substrate, and subsequent cleaned and coated substrates, can have a profound impact on the usability of the finished mask. This emphasizes the need for early and accurate identification of blank substrate defects and the risk they pose to the patterned reticle. While Automatic Defect Classification (ADC) is a well-developed technology for inspection and analysis of defects on patterned wafers and masks in the semiconductors industry, ADC for mask blanks is still in the early stages of adoption and development. Calibre ADC is a powerful analysis tool for fast, accurate, consistent and automatic classification of defects on mask blanks. Accurate, automated classification of mask blanks leads to better usability of blanks by enabling defect avoidance technologies during mask writing. Detailed information on blank defects can help to select appropriate job-decks to be written on the mask by defect avoidance tools [1][4][5]. Smart algorithms separate critical defects from the potentially large number of non-critical defects or false defects detected at various stages during mask blank preparation. Mechanisms used by Calibre ADC to identify and characterize defects include defect location and size, signal polarity (dark, bright) in both transmitted and reflected review images, distinguishing defect signals from background noise in defect images. The Calibre ADC engine then uses a decision tree to translate this information into a defect classification code. Using this automated process improves classification accuracy, repeatability and speed, while avoiding the subjectivity of human judgment compared to the alternative of manual defect classification by trained personnel [2]. This paper focuses on the results from the evaluation of Automatic Defect Classification (ADC) product at MP Mask

  7. Defect tolerant transmission lithography mask

    DOEpatents

    Vernon, Stephen P.

    2000-01-01

    A transmission lithography mask that utilizes a transparent substrate or a partially transparent membrane as the active region of the mask. A reflective single layer or multilayer coating is deposited on the membrane surface facing the illumination system. The coating is selectively patterned (removed) to form transmissive (bright) regions. Structural imperfections and defects in the coating have negligible effect on the aerial image of the mask master pattern since the coating is used to reflect radiation out of the entrance pupil of the imaging system. Similarly, structural imperfections in the clear regions of the membrane have little influence on the amplitude or phase of the transmitted electromagnetic fields. Since the mask "discards," rather than absorbs, unwanted radiation, it has reduced optical absorption and reduced thermal loading as compared to conventional designs. For EUV applications, the mask circumvents the phase defect problem, and is independent of the thermal load during exposure.

  8. Cooperation and Defection in Ghetto

    NASA Astrophysics Data System (ADS)

    Kułakowski, Krzysztof

    We consider ghetto as a community of people ruled against their will by an external power. Members of the community feel that their laws are broken. However, attempts to leave ghetto makes their situation worse. We discuss the relation of the ghetto inhabitants to the ruling power in context of their needs, organized according to the Maslow hierarchy. Decisions how to satisfy successive needs are undertaken in cooperation with or defection the ruling power. This issue allows to construct the tree of decisions and to adopt the pruning technique from the game theory. Dynamics of decisions can be described within the formalism of fundamental equations. The result is that the strategy of defection is stabilized by the estimated payoff.

  9. Structural defects in crystalline silicon

    NASA Technical Reports Server (NTRS)

    Sirtl, E.

    1985-01-01

    The basic photovoltaic properties of a given crystalline silicon specimen seem to be governed by density and nature of two to three dimensional lattice defects. These are mainly generated by primary growth conditions as grain boundaries of more or less intrinsic character or second phase precipitates from supersaturated solutions of carbon or oxygen. Considerably high values of both solubility and diffusivity in connection with their abundance in common refractory material systems account for the predominance of the two particular elements. Unsaturated dislocations of different types very often can be seen as a consequence of the existence of more dimensional defects as described initially. The final performance of a solar cell is dependent of the concentration and distribution of recombination active centers in the different regions of this device. Typical representatives are fast diffusing transition metals in form of either single atoms or simple complexes. Their avoidance, annihilation, or removal is of great concern in different fields of electronic materials development.

  10. Window defect planar mapping technique

    NASA Technical Reports Server (NTRS)

    Minton, F. R.; Minton, U. O. (Inventor)

    1976-01-01

    A method of planar mapping defects in a window having an edge surface and a planar surface. The method is comprised of steps for mounting the window on a support surface. Then a light sensitive paper is placed adjacent to the window surface. A light source is positioned adjacent to the window edge. The window is then illuminated with the source of light for a predetermined interval of time. Defects on the surface of the glass, as well as in the interior of the glass are detected by analyzing the developed light sensitive paper. The light source must be in the form of optical fibers or a light tube whose light transmitting ends are placed near the edge surface of the window.

  11. Optics near a hyperbolic defect

    NASA Astrophysics Data System (ADS)

    Fumeron, Sébastien; Berche, Bertrand; Santos, Fernando; Pereira, Erms; Moraes, Fernando

    2015-12-01

    We examine the properties of a family of defects called hyperbolic disclinations, and discuss their possible use for the design of perfect optical absorbers. In hyperbolic metamaterials, the ratio of ordinary and extraordinary permittivities is negative, which leads to an effective metric of Kleinian signature (two timelike coordinates). Considering a disclination in the hyperbolic nematic host matrix, we show that the timelike geodesics are Poinsot spirals, i.e., whatever the impact parameter of an incident light beam, it is confined and whirls about the defect core. The trapping effect does not require light to be coherent. This property also remains in the wave formalism, which may be the sign for many potential applications.

  12. Endotracheal Tube Obstruction: A Manufacturing Defect.

    PubMed

    Baldemir, Ramazan; Akçaboy, Yavuz; Akçaboy, Zeynep Nur; Göğüş, Nermin

    2015-02-01

    Various manufacturing defects of endotracheal tubes are encountered in anaesthesia practice. One of the important defects of an endotracheal tube is that a partial or complete obstruction can be potentially life-threatening. Manufacturing defects may not be ascertainable by routine inspection. In this case report, we report a partial airway obstruction caused by a plastic membrane in the connector of an endotracheal tube as a manufacturing defect. PMID:27366468

  13. COMPARISON OF SELECTED WELD DEFECT EXTRACTION METHODS

    SciTech Connect

    Sikora, R.; Baniukiewicz, P.; Chady, T.; Rucinski, W.; Swiadek, K.; Caryk, M.; Lopato, P.

    2008-02-28

    This paper presents three different methods of welding defects detection from radiographs. First two methods are dedicated for extraction of flaws directly from radiograms. Fuzzy logic system considers whether the pixel belongs to crack (or background) using defects probability maps together with simple fuzzy rules. Neural network method uses knowledge gathered from radiographs with known defects. Indirect method extracts defects by subtracting background from the radiograph and next using various local thresholding methods.

  14. Inspection of lithographic mask blanks for defects

    DOEpatents

    Sommargren, Gary E.

    2001-01-01

    A visible light method for detecting sub-100 nm size defects on mask blanks used for lithography. By using optical heterodyne techniques, detection of the scattered light can be significantly enhanced as compared to standard intensity detection methods. The invention is useful in the inspection of super-polished surfaces for isolated surface defects or particulate contamination and in the inspection of lithographic mask or reticle blanks for surface defects or bulk defects or for surface particulate contamination.

  15. Decay of metastable topological defects

    SciTech Connect

    Preskill, J. ); Vilenkin, A. Lyman Laboratory of Physics, Harvard University, Cambridge, Massachusetts 02138 )

    1993-03-15

    We systematically analyze the decay of metastable topological defects that arise from the spontaneous breakdown of gauge or global symmetries. Quantum-mechanical tunneling rates are estimated for a variety of decay processes. The decay rate for a global string, vortex, domain wall, or kink is typically suppressed compared to the decay rate for its gauged counterpart. We also discuss the decay of global texture, and of semilocal and electroweak strings.

  16. Visual field defects in onchocerciasis.

    PubMed Central

    Thylefors, B; Tønjum, A M

    1978-01-01

    Lesions in the posterior segment of the eye in onchocerciasis may give visual field defects, but so far no detailed investigation has been done to determine the functional visual loss. Examination of the visual fields in 18 selected cases of onchocerciasis by means of a tangent screen test revealed important visual field defects associated with lesions in the posterior segment of the eye. Involvement of the optic nerve seemed to be important, giving rise to severely constricted visual fields. Cases of postneuritic optic atrophy showed a very uniform pattern of almost completely constricted visual fields, with only 5 to 10 degree central rest spared. Papillitis gave a similar severe constriction of the visual fields. The pattern of visual fields associated with optic neuropathy in onchocerciasis indicates that a progressive lesion of the optic nerve from the periphery may be responsible for the loss of vision. The visual field defects in onchocerciasis constitute a serious handicap, which must be taken into consideration when estimating the socioeconomic importance of the disease. Images PMID:678499

  17. 30 CFR 57.7002 - Equipment defects.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Equipment defects. 57.7002 Section 57.7002... Jet Piercing Drilling-Surface Only § 57.7002 Equipment defects. Equipment defects affecting safety shall be corrected before the equipment is used....

  18. 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.

  19. 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.

  20. The bilobed flap for popliteal defect reconstruction

    PubMed Central

    Kelahmetoglu, Osman; Yagmur, Caglayan; Aslan, Ozan; Firinciogullari, Remzi

    2014-01-01

    Abstract Bilobed flaps were first introduced to close small nasal defects. We reconstructed a defect of the popliteal fossa using a random-pattern bilobed flap. We recommend the use of random-pattern bilobed flaps as a reliable technique for covering defects of the popliteal fossa.

  1. 7 CFR 51.2659 - Condition defects.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Condition defects. 51.2659 Section 51.2659 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing... Standards for Grades for Sweet Cherries 1 Definitions § 51.2659 Condition defects. Condition defects...

  2. Electronic excitations and defect creation in wide-gap MgO and Lu3Al5O12 crystals irradiated with swift heavy ions

    NASA Astrophysics Data System (ADS)

    Lushchik, A.; Kärner, T.; Lushchik, Ch.; Schwartz, K.; Savikhin, F.; Shablonin, E.; Shugai, A.; Vasil'chenko, E.

    2012-09-01

    A comparative study of radiation effects in two groups of single crystals with an energy gap of about 8 eV possessing drastically different lattice and electron energy structures - fcc MgO and Lu3Al5O12 with 160 atoms per a unit cell - has been performed using crystal irradiation with vacuum ultraviolet radiation, electrons, fast fission neutrons and, in particular, ˜2.2 GeV uranium ions. In MgO with the absence of self-trapping for valence holes, the localization of holes near impurity ions or bivacancies (both as-grown or induced by a plastic stress) has been detected. In LuAG, the peculiarities of the motion of hole polarons and excitons, the radius of which is smaller than the size of a unit cell, have been revealed and analysed. The irradiation of MgO and LuAG with swift heavy ions providing an extremely high density of electronic excitations causes also the nonimpact creation of long-lived Frenkel defects in an oxygen sublattice.

  3. Second workshop role of point defects/defect complexes in silicon device fabrication

    SciTech Connect

    Not Available

    1992-01-01

    Abstracts are presented of 24 papers, arranged under the following session/panel headings: defects and impurities in commercial photovoltaic Si substrates, point defects and point defect processes, impurity gettering for Si solar cells, gettering in Si solar cells, and passivation of impurities and defects.

  4. Effects of Stone-Wales and vacancy defects in atomic-scale friction on defective graphite

    SciTech Connect

    Sun, Xiao-Yu; Wu, RunNi; Xia, Re; Chu, Xi-Hua; Xu, Yuan-Jie

    2014-05-05

    Graphite is an excellent solid lubricant for surface coating, but its performance is significantly weakened by the vacancy or Stone-Wales (SW) defect. This study uses molecular dynamics simulations to explore the frictional behavior of a diamond tip sliding over a graphite which contains a single defect or stacked defects. Our results suggest that the friction on defective graphite shows a strong dependence on defect location and type. The 5-7-7-5 structure of SW defect results in an effectively negative slope of friction. For defective graphite containing a defect in the surface, adding a single vacancy in the interior layer will decrease the friction coefficients, while setting a SW defect in the interior layer may increase the friction coefficients. Our obtained results may provide useful information for understanding the atomic-scale friction properties of defective graphite.

  5. Computational stoning method for surface defect detection

    NASA Astrophysics Data System (ADS)

    Ma, Ninshu; Zhu, Xinhai

    2013-12-01

    Surface defects on outer panels of automotive bodies must be controlled in order to improve the surface quality. The detection and quantitative evaluation of surface defects are quite difficult because the deflection of surface defects is very small. One of detecting methods for surface defects used in factories is a stoning method in which a stone block is moved on the surface of a stamped panel. The computational stoning method was developed to detect surface low defect by authors based on a geometry contact algorithm between a stone block and a stamped panel. If the surface is convex, the stone block always contacts with the convex surface of a stamped panel and the contact gap between them is zero. If there is a surface low, the stone block does not contact to the surface and the contact gap can be computed based on contact algorithm. The convex surface defect can also be detected by applying computational stoning method to the back surface of a stamped panel. By performing two way stoning computations from both the normal surface and the back surface, not only the depth of surface low defect but also the height of convex surface defect can be detected. The surface low defect and convex surface defect can also be detected through multi-directions. Surface defects on the handle emboss of outer panels were accurately detected using the computational stoning method and compared with the real shape. A very good accuracy was obtained.

  6. Selecting the best defect reduction methodology

    SciTech Connect

    Hinckley, C.M.; Barkan, P.

    1994-04-01

    Defect rates less than 10 parts per million, unimaginable a few years ago, have become the standard of world-class quality. To reduce defects, companies are aggressively implementing various quality methodologies, such as Statistical Quality Control Motorola`s Six Sigma, or Shingo`s poka-yok. Although each quality methodology reduces defects, selection has been based on an intuitive sense without understanding their relative effectiveness in each application. A missing link in developing superior defect reduction strategies has been a lack of a general defect model that clarifies the unique focus of each method. Toward the goal of efficient defect reduction, we have developed an event tree which addresses a broad spectrum of quality factors and two defect sources, namely, error and variation. The Quality Control Tree (QCT) predictions are more consistent with production experience than obtained by the other methodologies considered independently. The QCT demonstrates that world-class defect rates cannot be achieved through focusing on a single defect source or quality control factor, a common weakness of many methodologies. We have shown that the most efficient defect reduction strategy depend on the relative strengths and weaknesses of each organization. The QCT can help each organization identify the most promising defect reduction opportunities for achieving its goals.

  7. Resist process optimization for further defect reduction

    NASA Astrophysics Data System (ADS)

    Tanaka, Keiichi; Iseki, Tomohiro; Marumoto, Hiroshi; Takayanagi, Koji; Yoshida, Yuichi; Uemura, Ryouichi; Yoshihara, Kosuke

    2012-03-01

    Defect reduction has become one of the most important technical challenges in device mass-production. Knowing that resist processing on a clean track strongly impacts defect formation in many cases, we have been trying to improve the track process to enhance customer yield. For example, residual type defect and pattern collapse are strongly related to process parameters in developer, and we have reported new develop and rinse methods in the previous papers. Also, we have reported the optimization method of filtration condition to reduce bridge type defects, which are mainly caused by foreign substances such as gels in resist. Even though we have contributed resist caused defect reduction in past studies, defect reduction requirements continue to be very important. In this paper, we will introduce further process improvements in terms of resist defect reduction, including the latest experimental data.

  8. Yield impacting systematic defects search and management

    NASA Astrophysics Data System (ADS)

    Zhang, Jing; Xu, Qingxiu; Zhang, Xin; Zhao, Xing; Ning, Jay; Cheng, Guojie; Chen, Shijie; Zhang, Gary; Vikram, Abhishek; Su, Bo

    2012-03-01

    Despite great effort before design tapeout, there are still some pattern related systematic defects showing up in production, which impact product yield. Through various check points in the production life cycle endeavor is made to detect these defective patterns. It is seen that apart from the known defective patterns, slight variations of polygon sizes and shapes in the known defective patterns also cause yield loss. This complexity is further compounded when interactions among multiple process layers causes the defect. Normally the exact pattern matching techniques cannot detect these variations of the defective patterns. With the currently existing tools in the fab it is a challenge to define the 'sensitive patterns', which are arbitrary variations in the known 'defective patterns'. A design based approach has been successfully experimented on product wafers to detect yield impacting defects that greatly reduces the TAT for hotspot analysis and also provides optimized care area definition to enable high sensitivity wafer inspection. A novel Rule based pattern search technique developed by Anchor Semiconductor has been used to find sensitive patterns in the full chip design. This technique allows GUI based pattern search rule generation like, edge move or edge-to-edge distance range, so that any variations of a particular sensitive pattern can be captured and flagged. Especially the pattern rules involving multiple process layers, like M1-V1-M2, can be defined easily using this technique. Apart from using this novel pattern search technique, design signatures are also extracted around the defect locations in the wafer and used in defect classification. This enhanced defect classification greatly helps in determining most critical defects among the total defect population. The effectiveness of this technique has been established through design to defect correlation and SEM verification. In this paper we will report details of the design based experiments that

  9. Facts about Upper and Lower Limb Reduction Defects

    MedlinePlus

    ... Specific Birth Defects Anencephaly Anophthalmia/Microphthalmia Anotia/Microtia Cleft Lip / Cleft Palate Congenital Heart Defects Atrial Septal Defect ... Podcasts & Video E-Cards Flu Badge Real Stories Cleft Lip and Palate Craniosynostosis Down Syndrome Eye Defects Fetal ...

  10. If Your Child Has a Heart Defect (For Parents)

    MedlinePlus

    ... septal defect , atrial septal defect , atrioventricular canal, and patent ductus arteriosus). Or the congestion could be the ... for Congenital Heart Defects Many heart abnormalities (including patent ductus arteriosus , ventricular septal defect , truncus arteriosus, atrioventricular ...