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

PubMed

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

2018-04-18

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

Probing topological protection using a designer surface plasmon structure

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

Gao, Fei; Gao, Zhen; Shi, Xihang

Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the 'topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can breakmore » the topological protection, but do not exist in electronic topological insulators. Furthermore, this is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants.« less

Probing topological protection using a designer surface plasmon structure

DOE PAGES

Gao, Fei; Gao, Zhen; Shi, Xihang; ...

2016-05-20

Topological photonic states, inspired by robust chiral edge states in topological insulators, have recently been demonstrated in a few photonic systems, including an array of coupled on-chip ring resonators at communication wavelengths. However, the intrinsic difference between electrons and photons determines that the 'topological protection' in time-reversal-invariant photonic systems does not share the same robustness as its counterpart in electronic topological insulators. Here in a designer surface plasmon platform consisting of tunable metallic sub-wavelength structures, we construct photonic topological edge states and probe their robustness against a variety of defect classes, including some common time-reversal-invariant photonic defects that can breakmore » the topological protection, but do not exist in electronic topological insulators. Furthermore, this is also an experimental realization of anomalous Floquet topological edge states, whose topological phase cannot be predicted by the usual Chern number topological invariants.« less

Towards physical implementation of an optical add-drop multiplexer (OADM) based upon properties of 12-fold photonic quasicrystals

NASA Astrophysics Data System (ADS)

Gauthier, Robert C.; Mnaymneh, Khaled

2005-09-01

The key feature that gives photonic crystals (PhCs) their ability to form photonic band gaps (PBGs) analogous to electronic band gaps of semiconductors is their translation symmetries. In recent years, however, it has been found that structures that possess only rotational symmetries can also have PBGs. In addition, these structures, known as Photonic Quasicrystals (PhQs), have other interesting qualities that set them apart of their translational cousins. One interesting feature is how defect states can be created in PhQs. If the rotational symmetry is disturbed, defect states analogous to defects states that are created in PhCs can be obtained. Simulation results of these defect states and other propagation properties of planar 12-fold photonic quasicrystal patterns, and its physical implementations in Silicon-On-Insulator (SOI) are presented. The main mechanisms required to make any optical multiplexing system is propagation; stop bands and add/drop ports. With the rotationally symmetry of the PhQ causing the stop bands, line defects facilitating propagation and now these specially design defect states acting as add/drop ports, a physical implementation of an OADM can be presented. Theoretical, practical and manufacturing benefits of PhQs are discussed. Simulated transmission plots are shown for various fill factors, dielectric contrast and propagation direction. It is shown that low index waveguides can be produced using the quasi-crystal photonic crystal pattern. Fabrication steps and results are shown.

Tunable Bragg filters with a phase transition material defect layer

DOE PAGES

Wang, Xi; Gong, Zilun; Dong, Kaichen; ...

2016-01-01

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

Tunable Bragg filters with a phase transition material defect layer

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

Wang, Xi; Gong, Zilun; Dong, Kaichen

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

Observation of zone folding induced acoustic topological insulators and the role of spin-mixing defects

NASA Astrophysics Data System (ADS)

Deng, Yuanchen; Ge, Hao; Tian, Yuan; Lu, Minghui; Jing, Yun

2017-11-01

This article reports on the experimental realization of a flow-free, pseudospin-based acoustic topological insulator designed using the strategy of zone folding. Robust sound one-way propagation is demonstrated with the presence of non-spin-mixing defects. On the other hand, it is shown that spin-mixing defects, which break the geometric symmetry and therefore the pseudo-time-reversal symmetry, can open up nontrivial band gaps within the edge state frequency band, and their width can be tailored by the extent of the defect. This provides a possible route for realizing tunable acoustic topological insulators.

EEMD-Based Steady-State Indexes and Their Applications to Condition Monitoring and Fault Diagnosis of Railway Axle Bearings

PubMed Central

Fan, Wei; Tsui, Kwok-Leung; Lin, Jianhui

2018-01-01

Railway axle bearings are one of the most important components used in vehicles and their failures probably result in unexpected accidents and economic losses. To realize a condition monitoring and fault diagnosis scheme of railway axle bearings, three dimensionless steadiness indexes in a time domain, a frequency domain, and a shape domain are respectively proposed to measure the steady states of bearing vibration signals. Firstly, vibration data collected from some designed experiments are pre-processed by using ensemble empirical mode decomposition (EEMD). Then, the coefficient of variation is introduced to construct two steady-state indexes from pre-processed vibration data in a time domain and a frequency domain, respectively. A shape function is used to construct a steady-state index in a shape domain. At last, to distinguish normal and abnormal bearing health states, some guideline thresholds are proposed. Further, to identify axle bearings with outer race defects, a pin roller defect, a cage defect, and coupling defects, the boundaries of all steadiness indexes are experimentally established. Experimental results showed that the proposed condition monitoring and fault diagnosis scheme is effective in identifying different bearing health conditions. PMID:29495446

Collection, use, and protection of population-based birth defects surveillance data in the united states.

PubMed

Mai, Cara T; Law, David J; Mason, Craig A; McDowell, Bradley D; Meyer, Robert E; Musa, Debra

2007-12-01

Birth defects surveillance systems collect population-based birth defects data from multiple sources to track trends in prevalence, identify risk factors, refer affected families to services, and evaluate prevention efforts. Strong state and federal public health and legal mandates are in place to govern the collection and use of these data. Despite the prima facie appeal of "opt-in" and similar strategies to those who view data collection as a threat to privacy, the use of these strategies in lieu of population-based surveillance can severely limit the ability of public health agencies to accurately access the health status of a group within a defined geographical area. With the need for population-based data central to their mission, birth defects programs around the country take their data stewardship role seriously, recognizing both moral and legal obligations to protect the data by employing numerous safeguards. Birth defects surveillance systems are shaped by the needs of the community they are designed to serve, with the goal of preventing birth defects or alleviating the burdens associated with them. (c) 2007 Wiley-Liss, Inc.

An Adaptive Defect Weighted Sampling Algorithm to Design Pseudoknotted RNA Secondary Structures

PubMed Central

Zandi, Kasra; Butler, Gregory; Kharma, Nawwaf

2016-01-01

Computational design of RNA sequences that fold into targeted secondary structures has many applications in biomedicine, nanotechnology and synthetic biology. An RNA molecule is made of different types of secondary structure elements and an important RNA element named pseudoknot plays a key role in stabilizing the functional form of the molecule. However, due to the computational complexities associated with characterizing pseudoknotted RNA structures, most of the existing RNA sequence designer algorithms generally ignore this important structural element and therefore limit their applications. In this paper we present a new algorithm to design RNA sequences for pseudoknotted secondary structures. We use NUPACK as the folding algorithm to compute the equilibrium characteristics of the pseudoknotted RNAs, and describe a new adaptive defect weighted sampling algorithm named Enzymer to design low ensemble defect RNA sequences for targeted secondary structures including pseudoknots. We used a biological data set of 201 pseudoknotted structures from the Pseudobase library to benchmark the performance of our algorithm. We compared the quality characteristics of the RNA sequences we designed by Enzymer with the results obtained from the state of the art MODENA and antaRNA. Our results show our method succeeds more frequently than MODENA and antaRNA do, and generates sequences that have lower ensemble defect, lower probability defect and higher thermostability. Finally by using Enzymer and by constraining the design to a naturally occurring and highly conserved Hammerhead motif, we designed 8 sequences for a pseudoknotted cis-acting Hammerhead ribozyme. Enzymer is available for download at https://bitbucket.org/casraz/enzymer. PMID:27499762

Academic Success Through Quality-Managed Course Design.

ERIC Educational Resources Information Center

Reese, Andy C.; Mobley, Mary F.

1996-01-01

Principles of quality management, focusing on defect prevention rather than correction, were applied to the design of a graduate biomedicine course in immunology. The principles require clearly stated course mission and objectives, numerous intermediate steps to achieving objectives, immediate feedback on student performance, and immediate…

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

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

Gao, Zhen; Gao, Fei; Zhang, Baile, E-mail: blzhang@ntu.edu.sg

2016-01-25

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

Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

NASA Astrophysics Data System (ADS)

Janesko, Benjamin G.

2018-02-01

Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

Identification of nickel-vacancy defects by combining experimental and ab initio simulated photocurrent spectra

NASA Astrophysics Data System (ADS)

Londero, E.; Bourgeois, E.; Nesladek, M.; Gali, A.

2018-06-01

There is a continuous search for solid state spin qubits operating at room temperature with excitation in the infrared communication bandwidth. Recently, we have introduced the photoelectric detection of magnetic resonance (PDMR) to read the electron spin state of nitrogen-vacancy (NV) centers in diamond, a technique which is promising for applications in quantum information technology. By measuring the photoionization spectra on a diamond crystal, we found two ionization thresholds of unknown origin. On the same sample we also observed absorption and photoluminescence signatures that were identified in the literature as Ni-associated defects. We performed ab initio calculations of the photoionization cross section of the nickel split-vacancy complex (NiV) and N-related defects in their relevant charge states and fitted the concentration of these defects to the measured photocurrent spectrum, which led to a surprising match between experimental and calculated spectra. This study enabled us to identify the two unknown ionization thresholds with the two acceptor levels of NiV. Because the excitation of NiV is in the infrared, the photocurrent detected from the paramagnetic NiV color centers is a promising way towards the design of electrically readout qubits.

Tunable magnetism in metal adsorbed fluorinated nanoporous graphene

DOE PAGES

Kumar, Pankaj; Sharma, Vinit; Reboredo, Fernando A.; ...

2016-08-24

Developing nanostructures with tunable magnetic states is crucial for designing novel data storage and quantum information devices. Using density functional theory, we study the thermodynamic stability and magnetic properties of tungsten adsorbed tri-vacancy fluorinated (TVF) graphene. We demonstrate a strong structure-property relationship and its response to external stimuli via defect engineering in graphene-based materials. Complex interplay between defect states and the chemisorbed atom results in a large magnetic moment of 7 μ B along with high in-plane magneto-crystalline anisotropy energy (MAE) of 17 meV. Under the influence of electric field, spin crossover effect accompanied by a change in the MAEmore » is observed. The ascribed change in spin-configuration is caused by the modification of exchange coupling between defect states and a change in the occupation of d-orbitals of the metal complex. In conclusion, our predictions open a promising way towards controlling the magnetic properties in graphene based spintronic and non-volatile memory devices.« less

Specially designed B4C/SnO2 nanocomposite for photocatalysis: traditional ceramic with unique properties

NASA Astrophysics Data System (ADS)

Singh, Paviter; Kaur, Gurpreet; Singh, Kulwinder; Singh, Bikramjeet; Kaur, Manpreet; Kaur, Manjot; Krishnan, Unni; Kumar, Manjeet; Bala, Rajni; Kumar, Akshay

2018-02-01

Boron carbide: A traditional ceramic material shows unique properties when explored in nano-range. Specially designed boron-based nanocomposite has been synthesized by reflux method. The addition of SnO2 in base matrix increases the defect states in boron carbide and shows unique catalytic properties. The calculated texture coefficient and Nelson-Riley factor show that the synthesized nanocomposite has large number of defect states. Also this composite is explored for the first time for catalysis degradation of industrial used dyes. The degradation analysis of industrial pollutants such as Novacron red Huntsman (NRH) and methylene blue (MB) dye reveals that the composite is an efficient catalyst. Degradation study shows that 1 g/L catalyst concentration of B4C/SnO2 degrades NRH and MB dye up to approximately 97.38 and 79.41%, respectively, in 20 min under sunlight irradiation. This water-insoluble catalyst can be recovered and reused.

Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs / In ( As , Sb ) Type-II Superlattices

DOE PAGES

Aytac, Y.; Olson, B. V.; Kim, J. K.; ...

2016-06-01

A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less

Evidence of a Shockley-Read-Hall Defect State Independent of Band-Edge Energy in InAs / In ( As , Sb ) Type-II Superlattices

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

Aytac, Y.; Olson, B. V.; Kim, J. K.

A set of seven InAs/InAsSb type-II superlattices (T2SLs) were designed to have speci c bandgap energies between 290 meV (4.3 m) and 135 meV (9.2 m) in order to study the e ects of the T2SL bandgap energy on the minority carrier lifetime. A temperature dependent optical pump-probe technique is used to measure the carrier lifetimes, and the e ect of a mid-gap defect level on the carrier recombination dynamics is reported. The Shockley-Read-Hall (SRH) defect state is found to be at energy of approximately -250 12 meV relative to the valence band edge of bulk GaSb for the entiremore » set of T2SL structures, even though the T2SL valence band edge shifts by 155 meV on the same scale. These results indicate that the SRH defect state in InAs/InAsSb T2SLs is singular and is nearly independent of the exact position of the T2SL bandgap or band edge energies. They also suggest the possibility of engineering the T2SL structure such that the SRH state is removed completely from the bandgap, a result that should signi cantly increase the minority carrier lifetime.« less

Thermodynamics of Polaronic States in Artificial Spin Ice

NASA Astrophysics Data System (ADS)

Farhan, Alan

Artificial spin ices represent a class of systems consisting of lithographically patterned nanomagnets arranged in two-dimensional geometries. They were initially introduced as a two-dimensional analogue to geometrically frustrated pyrochlore spin ice, and the most recent introduction of artificial spin ice systems with thermally activated moment fluctuations not only delivered the possibility to directly investigate geometrical frustration and emergent phenomena with real space imaging, but also paved the way to design and investigate new two-dimensional magnetic metamaterials, where material properties can be directly manipulated giving rise to properties that do not exist in nature. Here, taking advantage of cryogenic photoemission electron microscopy, and using the concept of emergent magnetic charges, we are able to directly visualize the creation and annihilation of screened emergent magnetic monopole defects in artificial spin ice. We observe that these polaronic states arise as intermediate states, separating an energetically excited out-of-equilibrium state and low-energy equilibrium configurations. They appear as a result of a local screening effect between emergent magnetic charge defects and their neighboring magnetic charges, thus forming a transient minimum, before the system approaches a global minimum with the least amount of emergent magnetic charge defects. This project is funded by the Swiss National Science Foundation.

Magnetic states of linear defects in graphene monolayers: Effects of strain and interaction

NASA Astrophysics Data System (ADS)

Alexandre, Simone S.; Nunes, R. W.

2017-08-01

The combined effects of defect-defect interaction and strains of up to 10% on the onset of magnetic states in the quasi-one-dimensional electronic states generated by the so-called 558 linear defect in graphene monolayers are investigated by means of ab initio calculations. Results are analyzed on the basis of the heuristics of the Stoner criterion. We find that conditions for the emergence of magnetic states on the 558 defect can be tuned by uniaxial tensile parallel strains (along the defect direction) as well as by uniaxial compressive perpendicular strains, at both limits of isolated and interacting 558 defects. Parallel tensile strains and perpendicular compressive strains are shown to give rise to two cooperative effects that favor the emergence of itinerant magnetism on the 558 defect in graphene: enhancement of the density of states (DOS) of the resonant defect states in the region of the Fermi level and tuning of the Fermi level to the maximum of the related DOS peak. On the other hand, parallel compressive strains and perpendicular tensile strains are shown to be detrimental to the development of magnetic states in the 558 defect, because in these cases the Fermi level is found to shift away from the maximum of the DOS of the defect states. Effects of isotropic and unisotropic biaxial strains are also analyzed in terms of the conditions encoded in the Stoner criterion.

Friction pull plug welding: top hat plug design

NASA Technical Reports Server (NTRS)

Coletta, Edmond R. (Inventor); Cantrell, Mark A. (Inventor)

2001-01-01

Friction Pull Plug Welding is a solid state repair process for defects up to one inch in length, only requiring single sided tooling, or outside skin line (OSL), for preferred usage on flight hardware. The most prevalent defect associated with Friction Pull Plug Welding (FPPW) was a top side or inside skin line (ISL) lack of bonding. Bonding was not achieved at this location due to the reduction in both frictional heat and welding pressure between the plug and plate at the end of the weld. Thus, in order to eliminate the weld defects and increase the plug strength at the plug `top` a small `hat` section is added to the pull plug for added frictional heating and pressure.

Friction pull plug welding: top hat plug design

NASA Technical Reports Server (NTRS)

Coletta, Edmond R. (Inventor); Cantrell, Mark A. (Inventor)

2002-01-01

Friction Pull Plug Welding is a solid state repair process for defects up to one inch in length, only requiring single sided tooling, or outside skin line (OSL), for preferred usage on flight hardware. The most prevalent defect associated with Friction Pull Plug Welding (FPPW) was a top side or inside skin line (ISL) lack of bonding. Bonding was not achieved at this location due to the reduction in both frictional heat and welding pressure between the plug and plate at the end of the weld. Thus, in order to eliminate the weld defects and increase the plug strength at the plug `top` a small `hat` section is added to the pull plug for added frictional heating and pressure.

A Design Method for Topologically Insulating Metamaterials

NASA Astrophysics Data System (ADS)

Matlack, Kathryn; Serra-Garcia, Marc; Palermo, Antonio; Huber, Sebastian; Daraio, Chiara

Topological insulators are a unique class of electronic materials that exhibit protected edge states that are insulating in the bulk, and immune to back-scattering and defects. Discrete models, such as mass-spring systems, provide a means to translate these properties, based on the quantum hall spin effect, to the mechanical domain. This talk will present how to engineer a 2D mechanical metamaterial that supports topologically-protected and defect-immune edge states, directly from the mass-spring model of a topological insulator. The design method uses combinatorial searches plus gradient-based optimizations to determine the configuration of the metamaterials building blocks that leads to the global behavior specified by the target mass-spring model. We use metamaterials with weakly coupled unit cells to isolate the dynamics within our frequency range of interest and to enable a systematic design process. This approach can generally be applied to implement behaviors of a discrete model directly in mechanical, acoustic, or photonic metamaterials within the weak-coupling regime. This work was partially supported by the ETH Postdoctoral Fellowship, and by the Swiss National Science Foundation.

Manufacturability improvements in EUV resist processing toward NXE:3300 processing

NASA Astrophysics Data System (ADS)

Kuwahara, Yuhei; Matsunaga, Koichi; Shimoaoki, Takeshi; Kawakami, Shinichiro; Nafus, Kathleen; Foubert, Philippe; Goethals, Anne-Marie; Shimura, Satoru

2014-03-01

As the design rule of semiconductor process gets finer, extreme ultraviolet lithography (EUVL) technology is aggressively studied as a process for 22nm half pitch and beyond. At present, the studies for EUV focus on manufacturability. It requires fine resolution, uniform, smooth patterns and low defectivity, not only after lithography but also after the etch process. In the first half of 2013, a CLEAN TRACKTM LITHIUS ProTMZ-EUV was installed at imec for POR development in preparation of the ASML NXE:3300. This next generation coating/developing system is equipped with state of the art defect reduction technology. This tool with advanced functions can achieve low defect levels. This paper reports on the progress towards manufacturing defectivity levels and latest optimizations towards the NXE:3300 POR for both lines/spaces and contact holes at imec.

Persistence time of charge carriers in defect states of molecular semiconductors.

PubMed

McMahon, David P; Troisi, Alessandro

2011-06-07

Charge carriers in organic crystals are often trapped in point defects. The persistence time of the charge in these defect states is evaluated by computing the escape rate from this state using non-adiabatic rate theory. Two cases are considered (i) the hopping between separate identical defect states and (ii) the hopping between a defect state and the bulk (delocalized) states. We show that only the second process is likely to happen with realistic defect concentrations and highlight that the inclusion of an effective quantum mode of vibration is essential for accurate computation of the rate. The computed persistence time as a function of the trap energy indicates that trap states shallower than ∼0.3 eV cannot be effectively investigated with some slow spectroscopic techniques such as THz spectroscopy or EPR commonly used to study the nature of excess charge in semiconductors.

Electronic structure and relative stability of the coherent and semi-coherent HfO2/III-V interfaces

NASA Astrophysics Data System (ADS)

Lahti, A.; Levämäki, H.; Mäkelä, J.; Tuominen, M.; Yasir, M.; Dahl, J.; Kuzmin, M.; Laukkanen, P.; Kokko, K.; Punkkinen, M. P. J.

2018-01-01

III-V semiconductors are prominent alternatives to silicon in metal oxide semiconductor devices. Hafnium dioxide (HfO2) is a promising oxide with a high dielectric constant to replace silicon dioxide (SiO2). The potentiality of the oxide/III-V semiconductor interfaces is diminished due to high density of defects leading to the Fermi level pinning. The character of the harmful defects has been intensively debated. It is very important to understand thermodynamics and atomic structures of the interfaces to interpret experiments and design methods to reduce the defect density. Various realistic gap defect state free models for the HfO2/III-V(100) interfaces are presented. Relative energies of several coherent and semi-coherent oxide/III-V semiconductor interfaces are determined for the first time. The coherent and semi-coherent interfaces represent the main interface types, based on the Ga-O bridges and As (P) dimers, respectively.

Defect controlled magnetism in FeP/graphene/Ni(111)

PubMed Central

Bhandary, Sumanta; Eriksson, Olle; Sanyal, Biplab

2013-01-01

Spin switching of organometallic complexes by ferromagnetic surfaces is an important topic in the area of molecular nanospintronics. Moreover, graphene has been shown as a 2D surface for physisorption of molecular magnets and strain engineering on graphene can tune the spin state of an iron porphyrin (FeP) molecule from S = 1 to S = 2. Our ab initio density functional calculations suggest that a pristine graphene layer placed between a Ni(111) surface and FeP yields an extremely weak exchange interaction between FeP and Ni whereas the introduction of defects in graphene shows a variety of ferromagnetic and antiferromagnetic exchange interactions. Moreover, these defects control the easy axes of magnetization, strengths of magnetic anisotropy energies and spin-dipolar contributions. Our study suggests a new way of manipulating molecular magnetism by defects in graphene and hence has the potential to be explored in designing spin qubits to realize logic operations in molecular nanospintronics. PMID:24296980

Vision-based in-line fabric defect detection using yarn-specific shape features

NASA Astrophysics Data System (ADS)

Schneider, Dorian; Aach, Til

2012-01-01

We develop a methodology for automatic in-line flaw detection in industrial woven fabrics. Where state of the art detection algorithms apply texture analysis methods to operate on low-resolved ({200 ppi) image data, we describe here a process flow to segment single yarns in high-resolved ({1000 ppi) textile images. Four yarn shape features are extracted, allowing a precise detection and measurement of defects. The degree of precision reached allows a classification of detected defects according to their nature, providing an innovation in the field of automatic fabric flaw detection. The design has been carried out to meet real time requirements and face adverse conditions caused by loom vibrations and dirt. The entire process flow is discussed followed by an evaluation using a database with real-life industrial fabric images. This work pertains to the construction of an on-loom defect detection system to be used in manufacturing practice.

Probing defect states in polycrystalline GaN grown on Si(111) by sub-bandgap laser-excited scanning tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Hsiao, F.-M.; Schnedler, M.; Portz, V.; Huang, Y.-C.; Huang, B.-C.; Shih, M.-C.; Chang, C.-W.; Tu, L.-W.; Eisele, H.; Dunin-Borkowski, R. E.; Ebert, Ph.; Chiu, Y.-P.

2017-01-01

We demonstrate the potential of sub-bandgap laser-excited cross-sectional scanning tunneling microscopy and spectroscopy to investigate the presence of defect states in semiconductors. The characterization method is illustrated on GaN layers grown on Si(111) substrates without intentional buffer layers. According to high-resolution transmission electron microscopy and cathodoluminescence spectroscopy, the GaN layers consist of nanoscale wurtzite and zincblende crystallites with varying crystal orientations and hence contain high defect state densities. In order to discriminate between band-to-band excitation and defect state excitations, we use sub-bandgap laser excitation. We probe a clear increase in the tunnel current at positive sample voltages during sub-bandgap laser illumination for the GaN layer with high defect density, but no effect is found for high quality GaN epitaxial layers. This demonstrates the excitation of free charge carriers at defect states. Thus, sub-bandgap laser-excited scanning tunneling spectroscopy is a powerful complimentary characterization tool for defect states.

Public Health Practice of Population-Based Birth Defects Surveillance Programs in the United States.

PubMed

Mai, Cara T; Kirby, Russell S; Correa, Adolfo; Rosenberg, Deborah; Petros, Michael; Fagen, Michael C

2016-01-01

Birth defects remain a leading cause of infant mortality in the United States and contribute substantially to health care costs and lifelong disabilities. State population-based surveillance systems have been established to monitor birth defects, yet no recent systematic examination of their efforts in the United States has been conducted. To understand the current population-based birth defects surveillance practices in the United States. The National Birth Defects Prevention Network conducted a survey of US population-based birth defects activities that included questions about operational status, case ascertainment methodology, program infrastructure, data collection and utilization, as well as priorities and challenges for surveillance programs. Birth defects contacts in the United States, including District of Columbia and Puerto Rico, received the survey via e-mail; follow-up reminders via e-mails and telephone were used to ensure a 100% response rate. Forty-three states perform population-based surveillance for birth defects, covering approximately 80% of the live births in the United States. Seventeen primarily use an active case-finding approach and 26 use a passive case-finding approach. These programs all monitor major structural malformations; however, passive case-finding programs more often monitor a broader list of conditions, including developmental conditions and newborn screening conditions. Active case-finding programs more often use clinical reviewers, cover broader pregnancy outcomes, and collect more extensive information, such as family history. More than half of the programs (24 of 43) reported an ability to conduct follow-up studies of children with birth defects. The breadth and depth of information collected at a population level by birth defects surveillance programs in the United States serve as an important data source to guide public health action. Collaborative efforts at the state and national levels can help harmonize data collection and increase utility of birth defects programs.

Molecular pathways for defect annihilation in directed self-assembly

PubMed Central

Hur, Su-Mi; Thapar, Vikram; Ramírez-Hernández, Abelardo; Khaira, Gurdaman; Segal-Peretz, Tamar; Rincon-Delgadillo, Paulina A.; Li, Weihua; Müller, Marcus; Nealey, Paul F.; de Pablo, Juan J.

2015-01-01

Over the last few years, the directed self-assembly of block copolymers by surface patterns has transitioned from academic curiosity to viable contender for commercial fabrication of next-generation nanocircuits by lithography. Recently, it has become apparent that kinetics, and not only thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a perfect, defect-free ordered state. Perfection, in this context, implies not more than one defect, with characteristic dimensions on the order of 5 nm, over a sample area as large as 100 cm2. In this work, we identify the key pathways and the corresponding free energy barriers for eliminating defects, and we demonstrate that an extraordinarily large thermodynamic driving force is not necessarily sufficient for their removal. By adopting a concerted computational and experimental approach, we explain the molecular origins of these barriers and how they depend on material characteristics, and we propose strategies designed to overcome them. The validity of our conclusions for industrially relevant patterning processes is established by relying on instruments and assembly lines that are only available at state-of-the-art fabrication facilities, and, through this confluence of fundamental and applied research, we are able to discern the evolution of morphology at the smallest relevant length scales—a handful of nanometers—and present a view of defect annihilation in directed self-assembly at an unprecedented level of detail. PMID:26515095

Molecular pathways for defect annihilation in directed self-assembly.

DOE PAGES

Hur, Su-Mi; Thapar, Vikram; Ramirez-Hernandez, Abelardo; ...

2015-11-17

Over the last few years, the directed self-assembly of block copolymers by surface patterns has transitioned from academic curiosity to viable contender for commercial fabrication of next-generation nanocircuits by lithography. Recently, it has become apparent that kinetics, and not only thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a perfect, defect-free ordered state. Perfection, in this context, implies not more than one defect, with characteristic dimensions on the order of 5 nm, over a sample area as large as 100 cm2. In this work, we identify the key pathways and the corresponding free-energymore » barriers for eliminating defects, and we demonstrate that an extraordinarily large thermodynamic driving force is not necessarily sufficient for their removal. By adopting a concerted computational and experimental approach, we explain the molecular origins of these barriers, how they depend on material characteristics, and we propose strategies designed to over-come them. The validity of our conclusions for industrially-relevant patterning processes is established by relying on instruments and assembly lines that are only available at state-of-the-art fabrication facilities and, through this confluence of fundamental and applied research, we are able to discern the evolution of morphology at the smallest relevant length scales - a handful of nanometers -, and present a view of defect annihilation in directed self-assembly at an unprecedented level of detail.« less

Identification and Control of Gravity Related Defect Formation During Melt Growth of Electro-Optic Single Crystals Bismuth Silicate(Bi12SiO20)

NASA Technical Reports Server (NTRS)

Becia, Piotr; Wiegel, Michaela E. K.

2004-01-01

A research carried out under Award Number NAG8-1487 was aimed at to the design, conduct and analysis of experiments directed at the identification and control of gravitational effects on crystal growth, segregation and defect formation in the Sillenite system: bismuth silicate (Bi(12)SiO(20)). Correlation analyses was conducted in order to establish the influence of gravity related defects introduced during crystal growth on critical, application specific properties. Achievement of the states objective was conducted during the period from Feb. 01, 1998 to Dec. 31, 2003 with the following anticipated milestones: 1. Establishment of capabilities for (a) reproducible Czochralski and Bridgman-type growth of BSO single crystals and (b) for comprehensive analysis of crystalline and chemical defects as well as for selective property characterization of grown crystals (year 1). 2. Design and execution of critical space growth experiment(s) based on analyses of prefatory space results (experiments aimed at establishing the viability of planned approaches and procedures) and on unresolved issues related to growth, segregation and defect formation associated with conventional growth in Bridgman geometries. Comparative analysis of growth under conventional and under mu-g conditions; identification of gravity related defect formation during conventional Bridgman growth and formulation of approaches for their control (years 2 and 3). Development of charge confinement system which permits growth interface demarcation (in a mu-g environment) as well as minimization of confinement related stress and contamination during growth; design of complementary mu-g growth experiments aimed at quantitative mu-g growth and segregation analyses (year 4). 3. Conduct of quantitative mu-g growth experiments directed at: (a) identification and control of gravity related crystalline and chemical defect formation during single crystal growth of Bi(12)SiO(20) and at (b) defect engineering -the development of approaches to the controlled generation during crystal growth of specified point defects in homogeneous distribution (year 5). The proposed research places focus on a class of materials which have outstanding electrical and optical properties but have so far failed to reach their potential, primarily because of our inability to control adequately their stoichiometry and crystal defect formation as well as confinement related contamination and lattice stress.

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

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

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

2015-10-15

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

Optical transitions in two-dimensional topological insulators with point defects

NASA Astrophysics Data System (ADS)

Sablikov, Vladimir A.; Sukhanov, Aleksei A.

2016-12-01

Nontrivial properties of electronic states in topological insulators are inherent not only to the surface and boundary states, but to bound states localized at structure defects as well. We clarify how the unusual properties of the defect-induced bound states are manifested in optical absorption spectra in two-dimensional topological insulators. The calculations are carried out for defects with short-range potential. We find that the defects give rise to the appearance of specific features in the absorption spectrum, which are an inherent property of topological insulators. They have the form of two or three absorption peaks that are due to intracenter transitions between electron-like and hole-like bound states.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

PubMed Central

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang; Wei, Su-Huai

2015-01-01

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglement of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH3NH3PbI3 as examples, we illustrate these unexpected behaviors. Our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators. PMID:26584670

Magnesium acceptor in gallium nitride. II. Koopmans-tuned Heyd-Scuseria-Ernzerhof hybrid functional calculations of its dual nature and optical properties

NASA Astrophysics Data System (ADS)

Demchenko, D. O.; Diallo, I. C.; Reshchikov, M. A.

2018-05-01

The problem of magnesium acceptor in gallium nitride is that experimental photoluminescence measurements clearly reveal a shallow defect state, while most theoretical predictions favor a localized polaronic defect state. To resolve this contradiction, we calculate properties of magnesium acceptor using the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, tuned to fulfill the generalized Koopmans condition. We test Koopmans tuning of HSE for defect calculations in GaN using two contrasting test cases: a deep state of gallium vacancy and a shallow state of magnesium acceptor. The obtained parametrization of HSE allows calculations of optical properties of acceptors using neutral defect-state eigenvalues, without relying on corrections due to charged defects in periodic supercells. Optical transitions and vibrational properties of M gGa defect are analyzed to bring the dual (shallow and deep) nature of this defect into accord with experimental photoluminescence measurements of the ultraviolet band in Mg-doped GaN samples.

About the features of the design of X-ray systems for nondestructive control in industry

NASA Astrophysics Data System (ADS)

Bessonov, V. B.; Obodovskiy, A. V.; Potrakhov, Y. N.

2018-02-01

X-ray methods for nondestructive control take the priority place if necessary to exercise quality control of a product, to define presence of defects and to execute expert researches. In the present work, an attempt is made to systematize some features in the design and construction of installations for X-ray non-destructive control using the example of developments conducted at St. Petersburg State Electrotechnical University “LETI”.

Human Factors Implications and Issues in Network Enabled Operations

DTIC Science & Technology

2006-08-28

même par des soldats individuels. L’armée de mer, quant à elle, évolue dans un environnement de complexité moyenne comparativement aux forces...approach found in most of the derivatives of NCW because the FORCEnet paper states that in the design of this new approach to warfare and other...defects mentality, risk aversion, poorly designed war fighting experiments, and widespread contentment with current performance, expectations for NCW will

Developing effective campaign messages to prevent neural tube defects: a qualitative assessment of women's reactions to advertising concepts.

PubMed

Massi Lindsey, Lisa L; Silk, Kami J; Von Friederichs-Fitzwater, Marlene M; Hamner, Heather C; Prue, Christine E; Boster, Franklin J

2009-03-01

The incidence of neural tube defects (NTDs), serious birth defects of the brain and spine that affect approximately 3,000 pregnancies in the United States each year, can be reduced by 50-70% with daily periconceptional consumption of the B vitamin folic acid. Two studies were designed to assess college women's reactions to and perceptions of potential campaign advertising concepts derived from preproduction formative research to increase folic acid consumption through the use of a daily multivitamin. Study one assessed draft advertising concepts in eight focus groups (N = 71) composed of college-enrolled women in four cities geographically dispersed across the United States. Based on study one results, the concepts were revised and reassessed in study two with a different sample (eight focus groups; N = 73) of college women in the same four cities. Results indicated that participants generally responded favorably to concepts in each of the two studies, and provided insight into individual concepts to increase their overall appeal and effectiveness. The specific findings and implications of these results are discussed.

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

NASA Astrophysics Data System (ADS)

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

2013-09-01

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

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

PubMed

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

2013-09-01

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

Single-Crystalline Ultrathin Co 3O 4 Nanosheets with Massive Vacancy Defects for Enhanced Electrocatalysis

DOE PAGES

Cai, Zhao; Bi, Yongmin; Hu, Enyuan; ...

2017-09-18

The role of vacancy defects is demonstrated to be positive in various energy-related processes. However, introducing vacancy defects into single-crystalline nanostructures with given facets and studying their defect effect on electrocatalytic properties remains a great challenge. Here this paper deliberately introduces oxygen defects into single-crystalline ultrathin Co 3O 4 nanosheets with O-terminated {111} facets by mild solvothermal reduction using ethylene glycol under alkaline condition. As-prepared defect-rich Co 3O 4 nanosheets show a low overpotential of 220 mV with a small Tafel slope of 49.1 mV dec -1 for the oxygen evolution reaction (OER), which is among the best Co-based OERmore » catalysts to date and even more active than the state-of-the-art IrO 2 catalyst. Such vacancy defects are formed by balancing with reducing environments under solvothermal conditions, but are surprisingly stable even after 1000 cycles of scanning under OER working conditions. Density functional theory plus U calculation attributes the enhanced performance to the oxygen vacancies and consequently exposed second-layered Co metal sites, which leads to the lowered OER activation energy of 2.26 eV and improved electrical conductivity. Finally, this mild solvothermal reduction concept opens a new door for the understanding and future designing of advanced defect-based electrocatalysts.« less

Single-Crystalline Ultrathin Co 3O 4 Nanosheets with Massive Vacancy Defects for Enhanced Electrocatalysis

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

Cai, Zhao; Bi, Yongmin; Hu, Enyuan

The role of vacancy defects is demonstrated to be positive in various energy-related processes. However, introducing vacancy defects into single-crystalline nanostructures with given facets and studying their defect effect on electrocatalytic properties remains a great challenge. Here this paper deliberately introduces oxygen defects into single-crystalline ultrathin Co 3O 4 nanosheets with O-terminated {111} facets by mild solvothermal reduction using ethylene glycol under alkaline condition. As-prepared defect-rich Co 3O 4 nanosheets show a low overpotential of 220 mV with a small Tafel slope of 49.1 mV dec -1 for the oxygen evolution reaction (OER), which is among the best Co-based OERmore » catalysts to date and even more active than the state-of-the-art IrO 2 catalyst. Such vacancy defects are formed by balancing with reducing environments under solvothermal conditions, but are surprisingly stable even after 1000 cycles of scanning under OER working conditions. Density functional theory plus U calculation attributes the enhanced performance to the oxygen vacancies and consequently exposed second-layered Co metal sites, which leads to the lowered OER activation energy of 2.26 eV and improved electrical conductivity. Finally, this mild solvothermal reduction concept opens a new door for the understanding and future designing of advanced defect-based electrocatalysts.« less

DFM for maskmaking: design-aware flexible mask-defect analysis

NASA Astrophysics Data System (ADS)

Driessen, Frank A. J. M.; Westra, J.; Scheffer, M.; Kawakami, K.; Tsujimoto, E.; Yamaji, M.; Kawashima, T.; Hayashi, N.

2007-10-01

We present a novel software system that combines design intent as known by EDA designers with defect inspection results from the maskshop to analyze the severity of defects on photomasks. The software -named Takumi Design- Driven Defect Analyzer (TK-D3A)- analyzes defects by combining actions in the image domain with actions in the design domain and outputs amongst others flexible mask-repair decisions in production formats used by the maskshop. Furthermore, TK-D3A outputs clips of layout (GDS/OASIS) that can be viewed with its graphical user interface for easy review of the defects and associated repair decisions. As inputs the system uses reticle defect-inspection data (text and images) and the respective multi-layer design layouts with the definitions of criticalities. The system does not require confidential design data from IDM, Fabless Design House, or Foundry to be sent to the maskshop and it also has minimal impact on the maskshop's mode of operation. The output of TK-D3A is designed to realize value to the maskshop and its customers in the forms of: 1) improved yield, 2) reduction of delivery times of masks to customers, and 3) enhanced utilization of the maskshop's installed tool base. The system was qualified together with a major IDM on a large set of production reticles in the 90 and beyond-65 nm technology nodes of which results will be presented that show the benefits for maskmaking. The accuracy in detecting defects is extremely high. We show the system's capability to analyze defects well below the pixel resolution of all inspection tools used, as well as the capability to extract multiple types of transmission defects. All of these defects are analyzed design-criticality-aware by TK-D3A, resulting in a large fraction of defects that do not need to be repaired because they are located in non-critical or less-critical parts of the layout, or, more importantly, turn out to be repairable or negligible despite of originally being classified as unrepairable when no such criticality knowledge is used. Finally, we show that the runtimes of TK-D3A are relatively short, despite the fact that the system operates on full-chip designs.

Self-regulation of charged defect compensation and formation energy pinning in semiconductors

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

Yang, Ji -Hui; Yin, Wan -Jian; Park, Ji -Sang

2015-11-20

Current theoretical analyses of defect properties without solving the detailed balance equations often estimate Fermi-level pinning position by omitting free carriers and assume defect concentrations can be always tuned by atomic chemical potentials. This could be misleading in some circumstance. Here we clarify that: (1) Because the Fermi-level pinning is determined not only by defect states but also by free carriers from band-edge states, band-edge states should be treated explicitly in the same footing as the defect states in practice; (2) defect formation energy, thus defect density, could be pinned and independent on atomic chemical potentials due to the entanglementmore » of atomic chemical potentials and Fermi energy, in contrast to the usual expectation that defect formation energy can always be tuned by varying the atomic chemical potentials; and (3) the charged defect compensation behavior, i.e., most of donors are compensated by acceptors or vice versa, is self-regulated when defect formation energies are pinned. The last two phenomena are more dominant in wide-gap semiconductors or when the defect formation energies are small. Using NaCl and CH 3NH 3PbI 3 as examples, we illustrate these unexpected behaviors. Furthermore, our analysis thus provides new insights that enrich the understanding of the defect physics in semiconductors and insulators.« less

Design and Production of Damage-Resistant Tray Pack Containers

DTIC Science & Technology

1985-07-01

Types and causes of shipping container damage The most important defect of the current shipping con- tainer design is its inability to sustain crushing...loads. This defect makes it impossible to stack unit loads. SThe first defect in the current design is the mismatch in the sizes of the parts of the...were stacked four high, they would topple. A second design defect is the concept of the pads being sized to the inside dimensions of the liner’so that

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

PubMed

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

2018-03-13

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

Correlation between defect transition levels and thermoelectric operational temperature of doped CrSi2

NASA Astrophysics Data System (ADS)

Singh, Abhishek; Pandey, Tribhuwan

2014-03-01

The performance of a thermoelectric material is quantified by figure of merit ZT. The challenge in achieving high ZT value requires simultaneously high thermopower, high electrical conductivity and low thermal conductivity at optimal carrier concentration. So far doping is the most versatile approach used for modifying thermoelectric properties. Previous studies have shown that doping can significantly improve the thermoelectric performance, however the tuning the operating temperature of a thermoelectric device is a main issue. Using first principles density functional theory, we report for CrSi2, a linear relationship between thermodynamic charge state transition levels of defects and temperature at which thermopower peaks. We show for doped CrSi2 that the peak of thermopower occurs at the temperature Tm, which corresponds to the position of defect transition level. Therefore, by modifying the defect transition level, a thermoelectric material with a given operational temperature can be designed. The authors thankfully acknowledge support from ADA under NpMASS.

Simulations of defect spin qubits in piezoelectric semiconductors

NASA Astrophysics Data System (ADS)

Seo, Hosung

In recent years, remarkable advances have been reported in the development of defect spin qubits in semiconductors for solid-state quantum information science and quantum metrology. Promising spin qubits include the nitrogen-vacancy center in diamond, dopants in silicon, and the silicon vacancy and divacancy spins in silicon carbide. In this talk, I will highlight some of our recent efforts devoted to defect spin qubits in piezoelectric wide-gap semiconductors for potential applications in mechanical hybrid quantum systems. In particular, I will describe our recent combined theoretical and experimental study on remarkably robust quantum coherence found in the divancancy qubits in silicon carbide. We used a quantum bath model combined with a cluster expansion method to identify the microscopic mechanisms behind the unusually long coherence times of the divacancy spins in SiC. Our study indicates that developing spin qubits in complex crystals with multiple types of atom is a promising route to realize strongly coherent hybrid quantum systems. I will also discuss progress and challenges in computational design of new spin defects for use as qubits in piezoelectric crystals such as AlN and SiC, including a new defect design concept using large metal ion - vacancy complexes. Our first principles calculations include DFT computations using recently developed self-consistent hybrid density functional theory and large-scale many-body GW theory. This work was supported by the National Science Foundation (NSF) through the University of Chicago MRSEC under Award Number DMR-1420709.

Pattern centric design based sensitive patterns and process monitor in manufacturing

NASA Astrophysics Data System (ADS)

Hsiang, Chingyun; Cheng, Guojie; Wu, Kechih

2017-03-01

When design rule is mitigating to smaller dimension, process variation requirement is tighter than ever and challenges the limits of device yield. Masks, lithography, etching and other processes have to meet very tight specifications in order to keep defect and CD within the margins of the process window. Conventionally, Inspection and metrology equipments are utilized to monitor and control wafer quality in-line. In high throughput optical inspection, nuisance and review-classification become a tedious labor intensive job in manufacturing. Certain high-resolution SEM images are taken to validate defects after optical inspection. These high resolution SEM images catch not only optical inspection highlighted point, also its surrounding patterns. However, this pattern information is not well utilized in conventional quality control method. Using this complementary design based pattern monitor not only monitors and analyzes the variation of patterns sensitivity but also reduce nuisance and highlight defective patterns or killer defects. After grouping in either single or multiple layers, systematic defects can be identified quickly in this flow. In this paper, we applied design based pattern monitor in different layers to monitor process variation impacts on all kinds of patterns. First, the contour of high resolutions SEM image is extracted and aligned to design with offset adjustment and fine alignment [1]. Second, specified pattern rules can be applied on design clip area, the same size as SEM image, and form POI (pattern of interest) areas. Third, the discrepancy of contour and design measurement at different pattern types in measurement blocks. Fourth, defective patterns are reported by discrepancy detection criteria and pattern grouping [4]. Meanwhile, reported pattern defects are ranked by number and severity by discrepancy. In this step, process sensitive high repeatable systematic defects can be identified quickly Through this design based process pattern monitor method, most of optical inspection nuisances can be filtered out at contour to design discrepancy measurement. Daily analysis results are stored at database as reference to compare with incoming data. Defective pattern library contains existing and known systematic defect patterns which help to catch and identify new pattern defects or process impacts. On the other hand, this defect pattern library provides extra valuable information for mask, pattern and defects verification, inspection care area generation, further OPC fix and process enhancement and investigation.

Agrichemicals in surface water and birth defects in the United States

PubMed Central

Winchester, Paul D; Huskins, Jordan; Ying, Jun

2009-01-01

Objectives: To investigate if live births conceived in months when surface water agrichemicals are highest are at greater risk for birth defects. Methods: Monthly concentrations during 1996–2002 of nitrates, atrazine and other pesticides were calculated using United States Geological Survey's National Water Quality Assessment data. Monthly United States birth defect rates were calculated for live births from 1996 to 2002 using United States Centers for Disease Control and Prevention natality data sets. Birth defect rates by month of last menstrual period (LMP) were then compared to pesticide/nitrate means using logistical regression models. Results: Mean concentrations of agrichemicals were highest in April–July. Total birth defects, and eleven of 22 birth defect subcategories, were more likely to occur in live births with LMPs between April and July. A significant association was found between the season of elevated agrichemicals and birth defects. Conclusion: Elevated concentrations of agrichemicals in surface water in April–July coincided with higher risk of birth defects in live births with LMPs April–July. While a causal link between agrichemicals and birth defects cannot be proven from this study an association might provide clues to common factors shared by both variables. PMID:19183116

Geometric Defects in Quantum Hall States

NASA Astrophysics Data System (ADS)

Gromov, Andrey

I will describe a geometric analogue of Laughlin quasiholes in fractional quantum Hall (FQH) states. These ``quasiholes'' are generated by an insertion of quantized fluxes of curvature - which can be modeled by branch points of a certain Riemann surface - and, consequently, are related to genons. Unlike quasiholes, the genons are not excitations, but extrinsic defects. Fusion of genons describes the response of an FQH state to a process that changes (effective) topology of the physical space. These defects are abelian for IQH states and non-abelian for FQH states. I will explain how to calculate an electric charge, geometric spin and adiabatic mutual statistics of the these defects. Leo Kadanoff Fellowship.

Towards a drift-free multi-level Phase Change Memory

NASA Astrophysics Data System (ADS)

Cinar, Ibrahim; Ozdemir, Servet; Cogulu, Egecan; Gokce, Aisha; Stipe, Barry; Katine, Jordan; Aktas, Gulen; Ozatay, Ozhan

For ultra-high density data storage applications, Phase Change Memory (PCM) is considered a potentially disruptive technology. Yet, the long-term reliability of the logic levels corresponding to the resistance states of a PCM device is an important issue for a stable device operation since the resistance levels drift uncontrollably in time. The underlying mechanism for the resistance drift is considered as the structural relaxation and spontaneous crystallization at elevated temperatures. We fabricated a nanoscale single active layer-phase change memory cell with three resistance levels corresponding to crystalline, amorphous and intermediate states by controlling the current injection site geometry. For the intermediate state and the reset state, the activation energies and the trap distances have been found to be 0.021 eV and 0.235 eV, 1.31 nm and 7.56 nm, respectively. We attribute the ultra-low and weakly temperature dependent drift coefficient of the intermediate state (ν = 0.0016) as opposed to that of the reset state (ν = 0.077) as being due to the dominant contribution of the interfacial defects in electrical transport in the case of the mixed phase. Our results indicate that the engineering of interfacial defects will enable a drift-free multi-level PCM device design.

Evolutionary Design of a Robotic Material Defect Detection System

NASA Technical Reports Server (NTRS)

Ballard, Gary; Howsman, Tom; Craft, Mike; ONeil, Daniel; Steincamp, Jim; Howell, Joe T. (Technical Monitor)

2002-01-01

During the post-flight inspection of SSME engines, several inaccessible regions must be disassembled to inspect for defects such as cracks, scratches, gouges, etc. An improvement to the inspection process would be the design and development of very small robots capable of penetrating these inaccessible regions and detecting the defects. The goal of this research was to utilize an evolutionary design approach for the robotic detection of these types of defects. A simulation and visualization tool was developed prior to receiving the hardware as a development test bed. A small, commercial off-the-shelf (COTS) robot was selected from several candidates as the proof of concept robot. The basic approach to detect the defects was to utilize Cadmium Sulfide (CdS) sensors to detect changes in contrast of an illuminated surface. A neural network, optimally designed utilizing a genetic algorithm, was employed to detect the presence of the defects (cracks). By utilization of the COTS robot and US sensors, the research successfully demonstrated that an evolutionarily designed neural network can detect the presence of surface defects.

Friction pull plug welding: chamfered heat sink pull plug design

NASA Technical Reports Server (NTRS)

Coletta, Edmond R. (Inventor); Cantrell, Mark A. (Inventor)

2005-01-01

The average strength of a pull plug weld is increased and weak bonding eliminated by providing a dual included angle at the top one third of the pull plug. Plugs using the included angle of the present invention had consistent high strength, no weak bonds and were substantially defect free. The dual angle of the pull plug body increases the heat and pressure of the weld in the region of the top one third of the plug. This allows the plug to form a tight high quality solid state bond. The dual angle was found to be successful in elimination of defects on both small and large plugs.

Ambient Carbon Dioxide Capture Using Boron-Rich Porous Boron Nitride: A Theoretical Study.

PubMed

Li, Lanlan; Liu, Yan; Yang, Xiaojing; Yu, Xiaofei; Fang, Yi; Li, Qiaoling; Jin, Peng; Tang, Chengchun

2017-05-10

The development of highly efficient sorbent materials for CO 2 capture under ambient conditions is of great importance for reducing the impact of CO 2 on the environment and climate change. In this account, strong CO 2 adsorption on a boron antisite (B N ) in boron-rich porous boron nitrides (p-BN) was developed and studied. The results indicated that the material achieved larger adsorption energies of 2.09 eV (201.66 kJ/mol, PBE-D). The electronic structure calculations suggested that the introduction of B N in p-BN induced defect electronic states in the energy gap region, which strongly impacted the adsorption properties of the material. The bonding between the B N defect and the CO 2 molecule was clarified, and it was found that the electron donation first occurred from CO 2 to the B N double-acceptor state then, followed by electron back-donation from B N to CO 2 accompanied by the formation of a B N -C bond. The thermodynamic properties indicated that the adsorption of CO 2 on the B N defect to form anionic CO 2 δ- species was spontaneous at temperatures below 350 K. Both the large adsorption energies and the thermodynamic properties ensured that p-BN with a B N defect could effectively capture CO 2 under ambient conditions. Finally, to evaluate the energetic stability, the defect formation energies were estimated. The formation energy of the B N defects was found to strongly depend on the chemical environment, and the selection of different reactants (B or N sources) would achieve the goal of reducing the formation energy. These findings provided a useful guidance for the design and fabrication of a porous BN sorbent for CO 2 capture.

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

NASA Astrophysics Data System (ADS)

Menezes, Marcos G.; Capaz, Rodrigo B.

2015-08-01

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

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

NASA Astrophysics Data System (ADS)

Menezes, Marcos; Capaz, Rodrigo

2015-03-01

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

First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

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

Clima, Sergiu, E-mail: clima@imec.be; Chen, Yang Yin; Goux, Ludovic

Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottommore » Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.« less

Topological phononic states of underwater sound based on coupled ring resonators

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

He, Cheng; Li, Zheng; Ni, Xu

We report a design of topological phononic states for underwater sound using arrays of acoustic coupled ring resonators. In each individual ring resonator, two degenerate acoustic modes, corresponding to clockwise and counter-clockwise propagation, are treated as opposite pseudospins. The gapless edge states arise in the bandgap resulting in protected pseudospin-dependent sound transportation, which is a phononic analogue of the quantum spin Hall effect. We also investigate the robustness of the topological sound state, suggesting that the observed pseudospin-dependent sound transportation remains unless the introduced defects facilitate coupling between the clockwise and counter-clockwise modes (in other words, the original mode degeneracymore » is broken). The topological engineering of sound transportation will certainly promise unique design for next generation of acoustic devices in sound guiding and switching, especially for underwater acoustic devices.« less

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

PubMed

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

2014-08-04

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

Gap-state engineering of visible-light-active ferroelectrics for photovoltaic applications.

PubMed

Matsuo, Hiroki; Noguchi, Yuji; Miyayama, Masaru

2017-08-08

Photoferroelectrics offer unique opportunities to explore light energy conversion based on their polarization-driven carrier separation and above-bandgap voltages. The problem associated with the wide bandgap of ferroelectric oxides, i.e., the vanishingly small photoresponse under visible light, has been overcome partly by bandgap tuning, but the narrowing of the bandgap is, in principle, accompanied by a substantial loss of ferroelectric polarization. In this article, we report an approach, 'gap-state' engineering, to produce photoferroelectrics, in which defect states within the bandgap act as a scaffold for photogeneration. Our first-principles calculations and single-domain thin-film experiments of BiFeO 3 demonstrate that gap states half-filled with electrons can enhance not only photocurrents but also photovoltages over a broad photon-energy range that is different from intermediate bands in present semiconductor-based solar cells. Our approach opens a promising route to the material design of visible-light-active ferroelectrics without sacrificing spontaneous polarization.Overcoming the optical transparency of wide bandgap of ferroelectric oxides by narrowing its bandgap tends to result in a loss of polarization. By utilizing defect states within the bandgap, Matsuo et al. report visible-light-active ferroelectrics without sacrificing polarization.

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

DOE PAGES

Schultz, Peter A.

2016-03-01

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

Defect States in Copper Indium Gallium Selenide Solar Cells from Two-Wavelength Excitation Photoluminescence Spectroscopy

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

Jensen, Soren A.; Dippo, Patricia; Mansfield, Lorelle M.

2016-11-21

We use two-wavelength excitation photoluminescence spectroscopy to probe defect states in CIGS thin films. Above-Eg excitation is combined with a tunable IR bias light that modulates the population of the defect states. We find that IR illumination in the range of 1400-2000 nm (0.62-0.89 eV) causes a reduction of the PL intensity, the magnitude of which scales linearly with IR power. Further, KF post deposition treatment has only a modest influence on the effect of the IR excitation. Initial data suggest that we have developed an optical characterization tool for band-gap defect states.

[A research of letter color visibility in package insert information using simulator].

PubMed

Kamimura, Naoki; Kinoshita, Noriyuki; Onaga, Midori; Watanabe, Yurika; Ijuin, Kazushige; Shikamura, Yoshiaki; Negishi, Kenichi; Kaiho, Fusao; Ohta, Takafumi

2012-01-01

Package insert of pharmaceutical drug is one of the most prioritized information for pharmacists to secure safety of patients. However, the color of character, size, font and so on are various company by company product to product from a viewpoint of visibility. It may be cause a serious accident in case visibility is unclear, although it is the most important information. Moreover, package insert with high visibility is required for color vision defectives from a viewpoint of a universal design. Then, the authors selected the package insert which has the boxed warning in the ethical pharmaceutical currently stored mostly in the present health insurance pharmacy and quantified the red color using the color meter. We advocate the state of a suitable package insert from a viewpoint of a universal design, whether the red color is high visible or not for color vision defectives using simulator.

Nematic Liquid-Crystal Colloids

PubMed Central

Muševič, Igor

2017-01-01

This article provides a concise review of a new state of colloidal matter called nematic liquid-crystal colloids. These colloids are obtained by dispersing microparticles of different shapes in a nematic liquid crystal that acts as a solvent for the dispersed particles. The microparticles induce a local deformation of the liquid crystal, which then generates topological defects and long-range forces between the neighboring particles. The colloidal forces in nematic colloids are much stronger than the forces in ordinary colloids in isotropic solvents, exceeding thousands of kBT per micrometer-sized particle. Of special interest are the topological defects in nematic colloids, which appear in many fascinating forms, such as singular points, closed loops, multitudes of interlinked and knotted loops or soliton-like structures. The richness of the topological phenomena and the possibility to design and control topological defects with laser tweezers make colloids in nematic liquid crystals an excellent playground for testing the basic theorems of topology. PMID:29295574

Physical-level synthesis for digital lab-on-a-chip considering variation, contamination, and defect.

PubMed

Liao, Chen; Hu, Shiyan

2014-03-01

Microfluidic lab-on-a-chips have been widely utilized in biochemical analysis and human health studies due to high detection accuracy, high timing efficiency, and low cost. The increasing design complexity of lab-on-a-chips necessitates the computer-aided design (CAD) methodology in contrast to the classical manual design methodology. A key part in lab-on-a-chip CAD is physical-level synthesis. It includes the lab-on-a-chip placement and routing, where placement is to determine the physical location and the starting time of each operation and routing is to transport each droplet from the source to the destination. In the lab-on-a-chip design, variation, contamination, and defect need to be considered. This work designs a physical-level synthesis flow which simultaneously considers variation, contamination, and defect of the lab-on-a-chip design. It proposes a maze routing based, variation, contamination, and defect aware droplet routing technique, which is seamlessly integrated into an existing placement technique. The proposed technique improves the placement solution for routing and achieves the placement and routing co-optimization to handle variation, contamination, and defect. The simulation results demonstrate that our technique does not use any defective/contaminated grids, while the technique without considering contamination and defect uses 17.0% of the defective/contaminated grids on average. In addition, our routing variation aware technique significantly improves the average routing yield by 51.2% with only 3.5% increase in completion time compared to a routing variation unaware technique.

Reconstruction of Heel With Propeller Flap in Postfasciotomy and Popliteal Artery Revascularization State.

PubMed

Kang, Jin Seok; Choi, Hwan Jun; Tak, Min Sung

2016-06-01

Free flaps are still the gold standard for large defects of the lower limb, but propeller perforator flaps have become a simpler and faster alternative to free flaps because of some advantages such as reliable vascular pedicle, wide mobilization and rotation, great freedom in design, low donor site morbidity, and easy harvest with no requirement for anastomosis. But when the vessels show insufficient findings in preoperative evaluation using a Doppler probe or the vessel is injured, the surgeon should avoid performing free flap surgery to prevent flap failure and should select a propeller perforator flap as an alternative method on the condition that more than one perforator is intact. In this study, we report reconstruction of soft tissue defects of the heel with a pedicled propeller flap in postfasciotomy and popliteal artery revascularization state by making an incision on the central portion above the Achilles tendon, which can be covered by the posterior tibial artery perforator or the peroneal artery perforator based flaps. In conclusion, we showed that although the popliteal artery was injured, the soft tissue defect can be reconstructed using a perforator propeller flap if intact distal flow in the anastomosis site was confirmed. © The Author(s) 2015.

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

Schultz, Peter A.

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

Defect states of complexes involving a vacancy on the boron site in boronitrene

NASA Astrophysics Data System (ADS)

Ngwenya, T. B.; Ukpong, A. M.; Chetty, N.

2011-12-01

First principles calculations have been performed to investigate the ground state properties of freestanding monolayer hexagonal boronitrene (h-BN). We have considered monolayers that contain native point defects and their complexes, which form when the point defects bind with the boron vacancy on the nearest-neighbor position. The changes in the electronic structure are analyzed to show the extent of localization of the defect-induced midgap states. The variations in formation energies suggest that defective h-BN monolayers that contain carbon substitutional impurities are the most stable structures, irrespective of the changes in growth conditions. The high energies of formation of the boron vacancy complexes suggest that they are less stable, and their creation by ion bombardment would require high-energy ions compared to point defects. Using the relative positions of the derived midgap levels for the double vacancy complex, it is shown that the quasi-donor-acceptor pair interpretation of optical transitions is consistent with stimulated transitions between electron and hole states in boronitrene.

Chip-scale thermal management of high-brightness LED packages

NASA Astrophysics Data System (ADS)

Arik, Mehmet; Weaver, Stanton

2004-10-01

The efficiency and reliability of the solid-state lighting devices strongly depend on successful thermal management. Light emitting diodes, LEDs, are a strong candidate for the next generation, general illumination applications. LEDs are making great strides in terms of lumen performance and reliability, however the barrier to widespread use in general illumination still remains the cost or $/Lumen. LED packaging designers are pushing the LED performance to its limits. This is resulting in increased drive currents, and thus the need for lower thermal resistance packaging designs. As the power density continues to rise, the integrity of the package electrical and thermal interconnect becomes extremely important. Experimental results with high brightness LED packages show that chip attachment defects can cause significant thermal gradients across the LED chips leading to premature failures. A numerical study was also carried out with parametric models to understand the chip active layer temperature profile variation due to the bump defects. Finite element techniques were utilized to evaluate the effects of localized hot spots at the chip active layer. The importance of "zero defects" in one of the more popular interconnect schemes; the "epi down" soldered flip chip configuration is investigated and demonstrated.

The effects of self-interstitial clusters on cascade defect evolution beyond the primary damage state

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

Heinisch, H.L.

1997-04-01

The intracascade evolution of the defect distributions of cascades in copper is investigated using stochastic annealing simulations applied to cascades generated with molecular dynamics (MD). The temperature and energy dependencies of annihilation, clustering and free defect production are determined for individual cascades. The annealing simulation results illustrate the strong influence on intracascade evolution of the defect configuration existing in the primary damage state. Another factor significantly affecting the evolution of the defect distribution is the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. This phenomenon introduces a cascade energy dependence of defect evolution that is apparentmore » only beyond the primary damage state, amplifying the need for further study of the annealing phase of cascade evolution and for performing many more MD cascade simulations at higher energies.« less

Defects and impurities induced structural and electronic changes in pyrite CoS2: first principles studies.

PubMed

Li, Shengwen; Zhang, Yanning; Niu, Xiaobin

2018-05-03

Cobalt pyrite (CoS2) and related materials are attracting much attention due to their potential use in renewable energy applications. In this work, first-principles studies were performed to investigate the effects of various neutral defects and ion dopants on the structural, energetic, magnetic and electronic properties of the bulk CoS2. Our theoretical results show that the concentrations of single cobalt (VCo) and sulfur (VS) vacancies in CoS2 samples can be high under S-rich and S-poor conditions, respectively. Although the single vacancies induce defect states near the gap edge, they are still half-metallic. We find that the substitution of one S with the O atom does not obviously change the structural, magnetic and electronic features near the Fermi level of the system. Most transition metal impurities (MnCo, FeCo, and MoCo) and Group IV and V anion impurities (CS, SiS, NS, PS, and AsS) create impurity states that are deep and/or near the gap edge. However, NiCo and Group VII elements (FS, ClS, and BrS) cause very localized gap states close to the Fermi level in the minority spin channel, which may modify their electrochemical performances. Our extensive calculations provide instructive information for the design and optimization of CoS2-related energy materials.

Simulation based mask defect repair verification and disposition

NASA Astrophysics Data System (ADS)

Guo, Eric; Zhao, Shirley; Zhang, Skin; Qian, Sandy; Cheng, Guojie; Vikram, Abhishek; Li, Ling; Chen, Ye; Hsiang, Chingyun; Zhang, Gary; Su, Bo

2009-10-01

As the industry moves towards sub-65nm technology nodes, the mask inspection, with increased sensitivity and shrinking critical defect size, catches more and more nuisance and false defects. Increased defect counts pose great challenges in the post inspection defect classification and disposition: which defect is real defect, and among the real defects, which defect should be repaired and how to verify the post-repair defects. In this paper, we address the challenges in mask defect verification and disposition, in particular, in post repair defect verification by an efficient methodology, using SEM mask defect images, and optical inspection mask defects images (only for verification of phase and transmission related defects). We will demonstrate the flow using programmed mask defects in sub-65nm technology node design. In total 20 types of defects were designed including defects found in typical real circuit environments with 30 different sizes designed for each type. The SEM image was taken for each programmed defect after the test mask was made. Selected defects were repaired and SEM images from the test mask were taken again. Wafers were printed with the test mask before and after repair as defect printability references. A software tool SMDD-Simulation based Mask Defect Disposition-has been used in this study. The software is used to extract edges from the mask SEM images and convert them into polygons to save in GDSII format. Then, the converted polygons from the SEM images were filled with the correct tone to form mask patterns and were merged back into the original GDSII design file. This merge is for the purpose of contour simulation-since normally the SEM images cover only small area (~1 μm) and accurate simulation requires including larger area of optical proximity effect. With lithography process model, the resist contour of area of interest (AOI-the area surrounding a mask defect) can be simulated. If such complicated model is not available, a simple optical model can be used to get simulated aerial image intensity in the AOI. With built-in contour analysis functions, the SMDD software can easily compare the contour (or intensity) differences between defect pattern and normal pattern. With user provided judging criteria, this software can be easily disposition the defect based on contour comparison. In addition, process sensitivity properties, like MEEF and NILS, can be readily obtained in the AOI with a lithography model, which will make mask defect disposition criteria more intelligent.

Relating Risk and Reliability Predictions to Design and Development Choices

NASA Technical Reports Server (NTRS)

Feather, Martin S.; Cornford, Steven L.

2006-01-01

In this context there are many possible assurance activities. Some focus on the prevention of defects - for example, up-front planning, adoption of design standards, configuration management, training, etc. Others focus on the detection of defects - either to detect latent defects in a system (and so be able to correct them before actual deployment of the system), or to increase confidence that such defects are not present. For example, a wide gamut of reviews, design walkthroughs, tests, inspections, analyses, etc. can be applied to systems and their components.

Computing arbitrary defect structures on arbitrary lattices on arbitrary geometries from arbitrary energies

NASA Astrophysics Data System (ADS)

Allen, Brian; Travesset, Alex

2004-03-01

Dislocations and disclinations play a fundamental role in the properties of two dimensional crystals. In this talk, it will be shown that a general computational framework can be developed by combining previous work of Seung and Nelson* and modern advances in objected oriented design. This allows separating the problem into independent classes such as: geometry (sphere, plane, torus..), lattice (triangular, square, etc..), type of defect (dislocation, disclinations, etc..), boundary conditions, type of order (crystalline, hexatic) or energy functional. As applications, the ground state of crystals in several geometries will be discussed. Experimental examples with colloidal particles will be shown. *S. Seung and D. Nelson, Phys. Rev. A 38, 1005 (1988)

Coarse Grained Modeling of Block Copolymer Lithography: The Effects of Pattern Design on the Thermodynamics and Kinetics of the Directed Self Assembly of Block Copolymers

NASA Astrophysics Data System (ADS)

Garner, Grant Parker

The directed self assembly of block copolymers is an exciting complimentary technique for the fabrication of nanoscale structures for lithographic applications. Typically a directed self assembly process is driven through substrates with chemical (chemoepitaxy) or topographical (graphoepitaxy) guiding features. These patterning strategies have led to the ability to assemble structures with a high degree of perfection over large areas. However, a guiding pattern has not been created which assembles the desired features with a defect density that is commensurate with industrial standards of 1 defect/100cm 2. This work focuses on using molecular simulations on the Theoretically Informed Coarse Grained model to provide design rules for substrate patterns which drive the assembly of desired, device-oriented morphologies. Prior to the work presented in Chapter 2, the TICG model has been used in conjunction with a chemical pattern that is approximated as a hard-impenetrable surface. As many experimental systems use polymer brushes to help guide the polymer melt deposited on the substrate, this work analyzes the consequences of such an assumption by comparing a model where the polymer brush is explicitly implemented to the hard-wall substrate used in the past. Then, a methodology which utilizes a evolutionary optimization method is used to map the parameters of the more detailed model to the hard-surface model. This provides a qualitative understanding of how to interpret the model parameters used in previous works in the context of real experimental pattern designs. Chapter 3 discuss the concept of competitive assemblies in regards to defining a thermodynamic processing window in design space for assembling lines-and-spaces. The most competitive assembly to the desired orientation of the lamella is defined as a rotation of assembled lamella to the underlying pattern. Thermodynamic integration is used to calculate the free-energy difference between these assemblies over chemical patterns with varied design parameters. Local maximums in the free-energy difference are observed over pattern designs that are in qualitatively agreement with the pattern designs which produce the most perfect assemblies in experiments. The analysis is extended to study how choice of chemistry impacts this thermodynamic selection for the desired morphology. Finally, Chapter 4 provides insight into the kinetics of patterned directed self-assembly by investigating cylinder forming block copolymers within cylindrical confinements. Through the use of the string method, the minimum free-energy path between a defective state and the desired assembled morphology is calculated and clear transition states are highlighted. The effects of key parameters of the confinement design on the calculated minimum free energy path are calculated to identify design rules which should lead to a better understanding of optimal connement design for eliminating defects. In addition, a specific modification to existing cylindrical confinements is discussed as a possibility for tackling the problem of placement accuracy for a cylinder that is assembled within the confinement.

Enrichment of Pyrrolic Nitrogen by Hole Defects in Nitrogen and Sulfur Co-Doped Graphene Hydrogel for Flexible Supercapacitors.

PubMed

Tran, Ngoc Quang; Kang, Bong Kyun; Woo, Moo Hyun; Yoon, Dae Ho

2016-08-23

The effect of the doping configuration and concentration of nitrogen (N) and sulfur (S) on the electrochemical performance of 3 D N and S co-doped hole defect graphene hydrogel (NS-HGH) electrodes is investigated. Surprisingly, by introducing a hole defect on the graphene surface, the difference in the doping concentrations of N and S can be used to effectively modulate the electrochemical behavior of the NS-HGH. The hole defects provide a rapid ion diffusion path. Finally, we showed that the intriguing specific capacitance (536 F g(-1) ) of the NS-HGH could enhance the overall performance of the pseudocapacitance and electric double layer capacitance. The rational design of the NS-HGH-based flexible solid state supercapacitor results in not only outstanding electrochemical performance with a maximum energy density of 14.8 Wh kg(-1) and power density of 5.2 KW kg(-1) but also in extraordinary mechanical flexibility and excellent cycle stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A tungsten-rhenium interatomic potential for point defect studies

DOE PAGES

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-28

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

A tungsten-rhenium interatomic potential for point defect studies

NASA Astrophysics Data System (ADS)

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

2018-05-01

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures in the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancies and self-interstitial defects sufficiently accurately and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).

A tungsten-rhenium interatomic potential for point defect studies

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

Setyawan, Wahyu; Gao, Ning; Kurtz, Richard J.

A tungsten-rhenium (W-Re) classical interatomic potential is developed within the embedded atom method (EAM) interaction framework. A force-matching method is employed to fit the potential to ab initio forces, energies, and stresses. Simulated annealing is combined with the conjugate gradient technique to search for an optimum potential from over 1000 initial trial sets. The potential is designed for studying point defects in W-Re systems. It gives good predictions of the formation energies of Re defects in W and the binding energies of W self-interstitial clusters with Re. The potential is further evaluated for describing the formation energy of structures inmore » the σ and χ intermetallic phases. The predicted convex-hulls of formation energy are in excellent agreement with ab initio data. In pure Re, the potential can reproduce the formation energies of vacancy and self-interstitial defects sufficiently accurately, and gives the correct ground state self-interstitial configuration. Furthermore, by including liquid structures in the fit, the potential yields a Re melting temperature (3130 K) that is close to the experimental value (3459 K).« less

Effect of anisotropy on defect mode peculiarities in chiral liquid crystals

NASA Astrophysics Data System (ADS)

Gevorgyan, A. H.; Oganesyan, K. B.

2018-01-01

The effect of anisotropy on defect mode peculiarities in cholesteric liquid crystals is investigated. The light transmission through the cholesteric liquid crystal layer with an anisotropic layer defect inside is solved by Ambartsumian’s layer addition modified method. Two cases are considered. In the first case, it is assumed that the defect layer is non-absorbing, and the effect of refraction anisotropy on the reflection, relative photonic density of states and the total field intensity produced in the defect layer are studied. In the second case, the defect layer is assumed to be isotropic for refraction and anisotropic for absorption, and the influence of defect layer absorption anisotropy on reflection, absorption, relative photonic density of states and the total field intensity produced in the defect layer are investigated.

Contribution a l'inspection automatique des pieces flexibles a l'etat libre sans gabarit de conformation

NASA Astrophysics Data System (ADS)

Sattarpanah Karganroudi, Sasan

The competitive industrial market demands manufacturing companies to provide the markets with a higher quality of production. The quality control department in industrial sectors verifies geometrical requirements of products with consistent tolerances. These requirements are presented in Geometric Dimensioning and Tolerancing (GD&T) standards. However, conventional measuring and dimensioning methods for manufactured parts are time-consuming and costly. Nowadays manual and tactile measuring methods have been replaced by Computer-Aided Inspection (CAI) methods. The CAI methods apply improvements in computational calculations and 3-D data acquisition devices (scanners) to compare the scan mesh of manufactured parts with the Computer-Aided Design (CAD) model. Metrology standards, such as ASME-Y14.5 and ISO-GPS, require implementing the inspection in free-state, wherein the part is only under its weight. Non-rigid parts are exempted from the free-state inspection rule because of their significant geometrical deviation in a free-state with respect to the tolerances. Despite the developments in CAI methods, inspection of non-rigid parts still remains a serious challenge. Conventional inspection methods apply complex fixtures for non-rigid parts to retrieve the functional shape of these parts on physical fixtures; however, the fabrication and setup of these fixtures are sophisticated and expensive. The cost of fixtures has doubled since the client and manufacturing sectors require repetitive and independent inspection fixtures. To eliminate the need for costly and time-consuming inspection fixtures, fixtureless inspection methods of non-rigid parts based on CAI methods have been developed. These methods aim at distinguishing flexible deformations of parts in a free-state from defects. Fixtureless inspection methods are required to be automatic, reliable, reasonably accurate and repeatable for non-rigid parts with complex shapes. The scan model, which is acquired as point clouds, represent the shape of a part in a free-state. Afterward, the inspection of defects is performed by comparing the scan and CAD models, but these models are presented in different coordinate systems. Indeed, the scan model is presented in the measurement coordinate system whereas the CAD model is introduced in the designed coordinate system. To accomplish the inspection and facilitate an accurate comparison between the models, the registration process is required to align the scan and CAD models in a common coordinate system. The registration includes a virtual compensation for the flexible deformation of the parts in a free-state. Then, the inspection is implemented as a geometrical comparison between the CAD and scan models. This thesis focuses on developing automatic and accurate fixtureless CAI methods for non-rigid parts along with assessing the robustness of the methods. To this end, an automatic fixtureless CAI method for non-rigid parts based on filtering registration points is developed to identify and quantify defects more accurately on the surface of scan models. The flexible deformation of parts in a free-state in our developed automatic fixtureless CAI method is compensated by applying FE non-rigid Registration (FENR) to deform the CAD model towards the scan mesh. The displacement boundary conditions (BCs) for FENR are determined based on the corresponding sample points, which are generated by the Generalized Numerical Inspection Fixture (GNIF) method on the CAD and scan models. These corresponding sample points are evenly distributed on the surface of the models. The comparison between this deformed CAD model and the scan mesh intend to evaluate and quantify the defects on the scan model. However, some sample points can be located close or on defect areas which result in an inaccurate estimation of defects. These sample points are automatically filtered out in our CAI method based on curvature and von Mises stress criteria. Once filtered out, the remaining sample points are used in a new FENR, which allows an accurate evaluation of defects with respect to the tolerances. The performance and robustness of all CAI methods are generally required to be assessed with respect to the actual measurements. This thesis also introduces a new validation metric for Verification and Validation (V&V) of CAI methods based on ASME recommendations. The developed V&V approach uses a nonparametric statistical hypothesis test, namely the Kolmogorov-Smirnov (K-S) test. In addition to validating the defects size, the K-S test allows a deeper evaluation based on distance distribution of defects. The robustness of CAI method with respect to uncertainties such as scanning noise is quantitatively assessed using the developed validation metric. Due to the compliance of non-rigid parts, a geometrically deviated part can still be assembled in the assembly-state. This thesis also presents a fixtureless CAI method for geometrically deviated (presenting defects) non-rigid parts to evaluate the feasibility of mounting these parts in the functional assembly-state. Our developed Virtual Mounting Assembly-State Inspection (VMASI) method performs a non-rigid registration to virtually mount the scan mesh in assembly-state. To this end, the point clouds of scan model representing the part in a free-state is deformed to meet the assembly constraints such as fixation position (e.g. mounting holes). In some cases, the functional shape of a deviated part can be retrieved by applying assembly loads, which are limited to permissible loads, on the surface of the part. The required assembly loads are estimated through our developed Restraining Pressures Optimization (RPO) aiming at displacing the deviated scan model to achieve the tolerance for mounting holes. Therefore, the deviated scan model can be assembled if the mounting holes on the predicted functional shape of scan model attain the tolerance range. Different industrial parts are used to evaluate the performance of our developed methods in this thesis. The automatic inspection for identifying different types of small (local) and big (global) defects on the parts results in an accurate evaluation of defects. The robustness of this inspection method is also validated with respect to different levels of scanning noise, which shows promising results. Meanwhile, the VMASI method is performed on various parts with different types of defects, which concludes that in some cases the functional shape of deviated parts can be retrieved by mounting them on a virtual fixture in assembly-state under restraining loads.

Qualification of local advanced cryogenic cleaning technology for 14nm photomask fabrication

NASA Astrophysics Data System (ADS)

Taumer, Ralf; Krome, Thorsten; Bowers, Chuck; Varghese, Ivin; Hopkins, Tyler; White, Roy; Brunner, Martin; Yi, Daniel

2014-10-01

The march toward tighter design rules, and thus smaller defects, implies stronger surface adhesion between defects and the photomask surface compared to past generations, thereby resulting in increased difficulty in photomask cleaning. Current state-of-the-art wet clean technologies utilize functional water and various energies in an attempt to produce similar yield to the acid cleans of previous generations, but without some of the negative side effects. Still, wet cleans have continued to be plagued with issues such as persistent particles and contaminations, SRAF and feature damages, leaving contaminants behind that accelerate photo-induced defect growth, and others. This paper details work done through a design of experiments (DOE) utilized to qualify an improved cryogenic cleaning technology for production in the Advanced Mask Technology Center (AMTC) advanced production lines for 20 and 14 nm processing. All work was conducted at the AMTC facility in Dresden, Germany utilizing technology developed by Eco-Snow Systems and RAVE LLC for their cryogenic local cleaning VC1200F platform. This system uses a newly designed nozzle, improved gaseous CO2 delivery, extensive filtration to remove hydrocarbons and minimize particle adders, and other process improvements to overcome the limitations of the previous generation local cleaning tool. AMTC has successfully qualified this cryogenic cleaning technology and is currently using it regularly to enhance production yields even at the most challenging technology nodes.

Fundamental Studies and Development of III-N Visible LEDs for High-Power Solid-State Lighting Applications

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

Dupuis, Russell

The goal of this program is to understand in a fundamental way the impact of strain, defects, polarization, and Stokes loss in relation to unique device structures upon the internal quantum efficiency (IQE) and efficiency droop (ED) of III-nitride (III-N) light-emitting diodes (LEDs) and to employ this understanding in the design and growth of high-efficiency LEDs capable of highly-reliable, high-current, high-power operation. This knowledge will be the basis for our advanced device epitaxial designs that lead to improved device performance. The primary approach we will employ is to exploit new scientific and engineering knowledge generated through the application of amore » set of unique advanced growth and characterization tools to develop new concepts in strain-, polarization-, and carrier dynamics-engineered and low-defect materials and device designs having reduced dislocations and improved carrier collection followed by efficient photon generation. We studied the effects of crystalline defect, polarizations, hole transport, electron-spillover, electron blocking layer, underlying layer below the multiplequantum- well active region, and developed high-efficiency and efficiency-droop-mitigated blue LEDs with a new LED epitaxial structures. We believe new LEDs developed in this program will make a breakthrough in the development of high-efficiency high-power visible III-N LEDs from violet to green spectral region.« less

Near-Infrared and Optical Beam Steering and Frequency Splitting in Air-Holes-in-Silicon Inverse Photonic Crystals.

PubMed

Tasolamprou, Anna C; Koschny, Thomas; Kafesaki, Maria; Soukoulis, Costas M

2017-11-15

We present the design of a dielectric inverse photonic crystal structure that couples line-defect waveguide propagating modes into highly directional beams of controllable directionality. The structure utilizes a triangular lattice made of air holes drilled in an infinitely thick Si slab, and it is designed for operation in the near-infrared and optical regime. The structure operation is based on the excitation and manipulation of dark dielectric surface states, in particular on the tailoring of the dark states' coupling to outgoing radiation. This coupling is achieved with the use of properly designed external corrugations. The structure adapts and matches modes that travel through the photonic crystal and the free space. Moreover it facilitates the steering of the outgoing waves, is found to generate well-defined, spatially and spectrally isolated beams, and may serve as a frequency splitting component designed for operation in the near-infrared regime and in particular the telecom optical wavelength band. The design complies with the state-of-the-art Si nanofabrication technology and can be directly scaled for operation in the optical regime.

Stress and Strain State Analysis of Defective Pipeline Portion

NASA Astrophysics Data System (ADS)

Burkov, P. V.; Burkova, S. P.; Knaub, S. A.

2015-09-01

The paper presents computer simulation results of the pipeline having defects in a welded joint. Autodesk Inventor software is used for simulation of the stress and strain state of the pipeline. Places of the possible failure and stress concentrators are predicted on the defective portion of the pipeline.

[Tailored cranioplasty using CAD-CAM technology].

PubMed

Vitanovics, Dusán; Major, Ottó; Lovas, László; Banczerowski, Péter

2014-11-30

The majority of cranial defects are results of surgical intervention. The defect must be covered within resonable period of time usually after 4-6 week given the fact that the replacement of bone improve the brain circulation. Number of surgical techniques and materials are available to perform cranioplasty. Due to favorable properties we chosed ultra high molecular weight polyethylene as material. In this paper the authors show a procedure which allows tailored artificial bone replacement using state of art medical and engineering techniques. between 2004 and 2012, 19 patients were operated on cranial bone defect and a total of 22 3D custom-designed implants were implanted. The average age of patients was 35.4 years. In 12 patients we performed primary cranioplasty, while seven patients had the replacement at least once. Later the implants had to be removed due to infection or other causes (bone necrosis, fracture). All patients had native and bone-windowed 1 mm resolution CT. The 3D design was made using the original CT images and with design program. Computer controlled lathe was used to prepare a precise-fitting model. During surgery, the defect was exposed and the implant was fixed to normal bone using mini titanium plates and screws. All of our patients had control CT at 3, 6 and 12 months after surgery and at the same time neurological examination. Twenty-one polyethylene and one titanium implants were inserted. The average follow-up of the patients was 21.5 months, ranged from two to 96 months. We follow 12 patients (63.15%) more than one year. No intraoperative implant modifications had to be made. Each of the 22 implant exactly matched the bone defect proved by CT scan. No one of our patients reported aesthetic problems and we did not notice any kind of aesthetic complication. We had short term complication in three cases due to cranioplasty, subdural, epidural haemorrhage and skin defect. Polyethylene is in all respects suitable for primary and secondary cranioplasty. Combined with 3D CAD- CAM method excellent aesthetic and functional result was achieved. In our study no case of infection occured. Proper preoperative preparation is important.

Fabrication of Defect-Free Ferroelectric Liquid Crystal Displays Using Photoalignment and Their Electrooptic Performance

NASA Astrophysics Data System (ADS)

Kurihara, Ryuji; Furue, Hirokazu; Takahashi, Taiju; Yamashita, Tomo-o; Xu, Jun; Kobayashi, Shunsuke

2001-07-01

A photoalignment technique has been utilized for fabricating zigzag-defect-free ferroelectric liquid crystal displays (FLCDs) using polyimide RN-1199, -1286, -1266 (Nissan Chem. Ind.) and adopting oblique irradiation of unpolarized UV light. A rubbing technique was also utilized for comparison. It is shown that among these polyimide materials, RN-1199 is the best for fabricating defect-free cells with C-1 uniform states, but RN-1286 requires low energy to produce a photoaligned FLC phase. We have conducted an analytical investigation to clarify the conditions for obtaining zigzag-defect-free C-1 states, and it is theoretically shown that zigzag-defect-free C-1 state is obtained using a low azimuthal anchoring energy at a low pretilt angle, while a zigzag-defect-free C-2 state is obtained by increasing azimuthal anchoring energy above a critical value, also at a low pretilt angle. The estimated critical value of the azimuthal anchoring energy at which a transition from the C-1 state to the C-2 state occurs is 3×10-6 J/m2 for the FLC material FELIX M4654/100 (Clariant) used in this research; this value is shown to fall in a favorable range which is measured in an independent experiment.

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

PubMed

Jin, L; Wang, P; Song, Z

2017-07-19

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

Reading data stored in the state of metastable defects in silicon using band-band photoluminescence: Proof of concept and physical limits to the data storage density

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

Rougieux, F. E.; Macdonald, D.

2014-03-24

The state of bistable defects in crystalline silicon such as iron-boron pairs or the boron-oxygen defect can be changed at room temperature. In this letter, we experimentally demonstrate that the chemical state of a group of defects can be changed to represent a bit of information. The state can then be read without direct contact via the intensity of the emitted band-band photoluminescence signal of the group of defects, via their impact on the carrier lifetime. The theoretical limit of the information density is then computed. The information density is shown to be low for two-dimensional storage but significant formore » three-dimensional data storage. Finally, we compute the maximum storage capacity as a function of the lower limit of the photoluminescence detector sensitivity.« less

Reduction of Sample Size Requirements by Bilateral Versus Unilateral Research Designs in Animal Models for Cartilage Tissue Engineering

PubMed Central

Orth, Patrick; Zurakowski, David; Alini, Mauro; Cucchiarini, Magali

2013-01-01

Advanced tissue engineering approaches for articular cartilage repair in the knee joint rely on translational animal models. In these investigations, cartilage defects may be established either in one joint (unilateral design) or in both joints of the same animal (bilateral design). We hypothesized that a lower intraindividual variability following the bilateral strategy would reduce the number of required joints. Standardized osteochondral defects were created in the trochlear groove of 18 rabbits. In 12 animals, defects were produced unilaterally (unilateral design; n=12 defects), while defects were created bilaterally in 6 animals (bilateral design; n=12 defects). After 3 weeks, osteochondral repair was evaluated histologically applying an established grading system. Based on intra- and interindividual variabilities, required sample sizes for the detection of discrete differences in the histological score were determined for both study designs (α=0.05, β=0.20). Coefficients of variation (%CV) of the total histological score values were 1.9-fold increased following the unilateral design when compared with the bilateral approach (26 versus 14%CV). The resulting numbers of joints needed to treat were always higher for the unilateral design, resulting in an up to 3.9-fold increase in the required number of experimental animals. This effect was most pronounced for the detection of small-effect sizes and estimating large standard deviations. The data underline the possible benefit of bilateral study designs for the decrease of sample size requirements for certain investigations in articular cartilage research. These findings might also be transferred to other scoring systems, defect types, or translational animal models in the field of cartilage tissue engineering. PMID:23510128

Quantum correlation of path-entangled two-photon states in waveguide arrays with defects

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

Dou, Yiling; Xu, Lei; Han, Bin

We study the quantum correlation of path-entangled states of two photons in coupled one-dimensional waveguide arrays with lattice defects. Both off-diagonal and diagonal defects are considered, which show different effects on the quantum correlation of path-entangled two-photon states. Two-photon bunching or anti-bunching effects can be observed and controlled. The two photons are found to have a tendency to bunch at the side lobes with a repulsive off-diagonal defect, and the path-entanglement of the input two-photon state can be preserved during the propagation. We also found that defect modes may play an important role on the two-photon correlation of path-entangled statesmore » in the waveguide arrays. Due to the quantum interference effect, intriguing evolution dynamics of the two-photon correlation matrix elements with oscillation frequencies being either twice of or the same as that of a classical light wave, depending on the position of the correlation matrix element, is observed. Our results show that it is possible to manipulate the two-photon correlation properties of path-entangled states in waveguide arrays with lattice defects.« less

Microstructural characterization of ultra thin copper interconnects

NASA Astrophysics Data System (ADS)

Yang, Hee-Dong

The present study investigates the defects related to reliability issues, such as physical failures developed during processing and end use. In the first part of this study, kinetic analysis using the Johnson-Mehl-Avrami (JMA) model demonstrates that a self-annealing mechanism in electroplated Cu films depends on the film properties, such as thickness and the amount of crystal defects in an as-deposited state. In order to obtain the evidence of such defects, the microstructural characterization of defects in ultra thin copper interconnects using transmission electron microscopy (TEM) is presented. Examination of the defects using TEM reveals that voids filled with gas form as a lens shape along the {110} habit planes of the copper matrix. In the second part of this study, methodology and results of an electro-thermal-fatigue (ETF) testing, designed for early detection of process defects, are presented. Such ETF testing combines high-density current electrical stressing and thermal cycling to accelerate the evolution of defects in Cu interconnects. In ETF testing, the evolution of defects provides the nucleation sites for voids which open or close during thermal cycling. Then, the accumulation of voids creates the change in resistance when they reach a critical size. As a result of voids evolution, the high current density and high joule heating create a transient resistance increase. ETF testing reveals two failure modes, and the mode-I failure has the importance in detecting defects. The number of cycles to failure in ETF testing decreases with higher current density, but the rate of thermal cycling has no effect. Results from this investigation suggest that impurities in the copper electrodeposition process must be carefully controlled to achieve reliable ultra thin copper interconnects.

Defect States Emerging from a Non-Hermitian Flatband of Photonic Zero Modes

NASA Astrophysics Data System (ADS)

Qi, Bingkun; Zhang, Lingxuan; Ge, Li

2018-03-01

We show the existence of a flatband consisting of photonic zero modes in a gain and loss modulated lattice system as a result of the underlying non-Hermitian particle-hole symmetry. This general finding explains the previous observation in parity-time symmetric systems where non-Hermitian particle-hole symmetry is hidden. We further discuss the defect states in these systems, whose emergence can be viewed as an unconventional alignment of a pseudospin under the influence of a complex-valued pseudomagnetic field. These defect states also behave as a chain with two types of links, one rigid in a unit cell and one soft between unit cells, as the defect states become increasingly localized with the gain and loss strength.

Defect design of insulation systems for photovoltaic modules

NASA Technical Reports Server (NTRS)

Mon, G. R.

1981-01-01

A defect-design approach to sizing electrical insulation systems for terrestrial photovoltaic modules is presented. It consists of gathering voltage-breakdown statistics on various thicknesses of candidate insulation films where, for a designated voltage, module failure probabilities for enumerated thickness and number-of-layer film combinations are calculated. Cost analysis then selects the most economical insulation system. A manufacturing yield problem is solved to exemplify the technique. Results for unaged Mylar suggest using fewer layers of thicker films. Defect design incorporates effects of flaws in optimal insulation system selection, and obviates choosing a tolerable failure rate, since the optimization process accomplishes that. Exposure to weathering and voltage stress reduces the voltage-withstanding capability of module insulation films. Defect design, applied to aged polyester films, promises to yield reliable, cost-optimal insulation systems.

3D Printing of Materials with Tunable Failure via Bioinspired Mechanical Gradients.

PubMed

Kokkinis, Dimitri; Bouville, Florian; Studart, André R

2018-05-01

Mechanical gradients are useful to reduce strain mismatches in heterogeneous materials and thus prevent premature failure of devices in a wide range of applications. While complex graded designs are a hallmark of biological materials, gradients in manmade materials are often limited to 1D profiles due to the lack of adequate fabrication tools. Here, a multimaterial 3D-printing platform is developed to fabricate elastomer gradients spanning three orders of magnitude in elastic modulus and used to investigate the role of various bioinspired gradient designs on the local and global mechanical behavior of synthetic materials. The digital image correlation data and finite element modeling indicate that gradients can be effectively used to manipulate the stress state and thus circumvent the weakening effect of defect-rich interfaces or program the failure behavior of heterogeneous materials. Implementing this concept in materials with bioinspired designs can potentially lead to defect-tolerant structures and to materials whose tunable failure facilitates repair of biomedical implants, stretchable electronics, or soft robotics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Charge transport model in solid-state avalanche amorphous selenium and defect suppression design

NASA Astrophysics Data System (ADS)

Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei

2016-01-01

Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).

Topological helical edge states in water waves over a topographical bottom

NASA Astrophysics Data System (ADS)

Wu, Shiqiao; Wu, Ying; Mei, Jun

2018-02-01

We present the discovery of topologically protected helical edge states in water wave systems, which are realized in water wave propagating over a topographical bottom whose height is modulated periodically in a two-dimensional triangular pattern. We develop an effective Hamiltonian to characterize the dispersion relation and use spin Chern numbers to classify the topology. Through full-wave simulations we unambiguously demonstrate the robustness of the helical edge states which are immune to defects and disorders so that the backscattering loss is significantly reduced. A spin splitter is designed for water wave systems, where helical edge states with different spin orientations are spatially separated with each other, and potential applications are discussed.

Hybrid Defect Phase Transition: Renormalization Group and Monte Carlo Analysis

NASA Astrophysics Data System (ADS)

Kaufman, Miron; Diep, H. T.

2010-03-01

For the q-state Potts model with 2 < q <= 4 on the square lattice with a defect line, the order parameter on the defect line jumps discontinuously from zero to a nonzero value while the defect energy varies continuously with the temperature at the critical temperature. Monte-Carlo simulations (H. T. Diep, M. Kaufman, Phys Rev E 2009) of the q-state Potts model on a square lattice with a line of defects verify the renormalization group prediction (M. Kaufman, R. B. Griffiths, Phys Rev B 1982) on the occurrence of the hybrid transition on the defect line. This is interesting since for those q values the bulk transition is continuous. This hybrid (continuous - discontinuous) defect transition is induced by the infinite range correlations at the bulk critical point.

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

NASA Astrophysics Data System (ADS)

Seong, Hyangsuk; Lewis, Laurent J.

1995-08-01

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

Maternal obesity and congenital heart defects: a population-based study123

PubMed Central

Mills, James L; Troendle, James; Conley, Mary R; Carter, Tonia; Druschel, Charlotte M

2010-01-01

Background: Obesity affects almost one-third of pregnant women and causes many complications, including neural tube defects. It is not clear whether the risk of congenital heart defects, the most common malformations, is also increased. Objective: This study was conducted to determine whether obesity is associated with an increased risk of congenital heart defects. Design: A population-based, nested, case-control study was conducted in infants born with congenital heart defects and unaffected controls from the cohort of all births (n = 1,536,828) between 1993 and 2003 in New York State, excluding New York City. The type of congenital heart defect, maternal body mass index (BMI; in kg/m2), and other risk factors were obtained from the Congenital Malformations Registry and vital records. Mothers of 7392 congenital heart defect cases and 56,304 unaffected controls were studied. Results: All obese women (BMI ≥ 30) were significantly more likely than normal-weight women (BMI: 19–24.9) to have children with a congenital heart defect [odds ratio (OR): 1.15; 95% CI: 1.07, 1.23; P < 0.0001]. Overweight women were not at increased risk (OR: 1.00; 95% CI: 0.94, 1.06). The risk in morbidly obese women (BMI ≥ 40) was higher (OR: 1.33; 95% CI: 1.15, 1.54; P = 0.0001) than that in obese women with a BMI of 30–39.9 (OR: 1.11; 95% CI: 1.04, 1.20; P = 0.004). There was a highly significant trend of increasing OR for congenital heart defects with increasing maternal obesity (P < 0.0001). The offspring of obese women had significantly higher ORs for atrial septal defects, hypoplastic left heart syndrome, aortic stenosis, pulmonic stenosis, and tetralogy of Fallot. Conclusions: Obese, but not overweight, women are at significantly increased risk of bearing children with a range of congenital heart defects, and the risk increases with increasing BMI. Weight reduction as a way to reduce risk should be investigated. PMID:20375192

Characterization of oxygen defects in diamond by means of density functional theory calculations

NASA Astrophysics Data System (ADS)

Thiering, Gergő; Gali, Adam

2016-09-01

Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce oxygen contamination in diamond, however, the incorporation of oxygen into diamond crystal and the nature of oxygen-related point defects are largely unknown. Oxygen may be potentially interesting as a source of quantum bits or it may interact with other point defects which are well established solid state qubits. Here we employ plane-wave supercell calculations within density functional theory, in order to characterize the electronic and magneto-optical properties of various oxygen-related defects. Besides the trivial single interstitial and substitutional oxygen defects we also consider their complexes with vacancies and hydrogen atoms. We find that oxygen defects are mostly electrically active and introduce highly correlated orbitals that pose a challenge for density functional theory modeling. Nevertheless, we are able to identify the fingerprints of substitutional oxygen defect, the oxygen-vacancy and oxygen-vacancy-hydrogen complexes in the electron paramagnetic resonance spectrum. We demonstrate that first principles calculations can predict the motional averaging of the electron paramagnetic resonance spectrum of defects that are subject to Jahn-Teller distortion. We show that the high-spin neutral oxygen-vacancy defect exhibits very fast nonradiative decay from its optical excited state that might hinder applying it as a qubit.

Study on on-machine defects measuring system on high power laser optical elements

NASA Astrophysics Data System (ADS)

Luo, Chi; Shi, Feng; Lin, Zhifan; Zhang, Tong; Wang, Guilin

2017-10-01

The influence of surface defects on high power laser optical elements will cause some harm to the performances of imaging system, including the energy consumption and the damage of film layer. To further increase surface defects on high power laser optical element, on-machine defects measuring system was investigated. Firstly, the selection and design are completed by the working condition analysis of the on-machine defects detection system. By designing on processing algorithms to realize the classification recognition and evaluation of surface defects. The calibration experiment of the scratch was done by using the self-made standard alignment plate. Finally, the detection and evaluation of surface defects of large diameter semi-cylindrical silicon mirror are realized. The calibration results show that the size deviation is less than 4% that meet the precision requirement of the detection of the defects. Through the detection of images the on-machine defects detection system can realize the accurate identification of surface defects.

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

NASA Astrophysics Data System (ADS)

Bastianello, Alvise; De Luca, Andrea

2018-02-01

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

Structural Defects in Donor-Acceptor Blends: Influence on the Performance of Organic Solar Cells

NASA Astrophysics Data System (ADS)

Sergeeva, Natalia; Ullbrich, Sascha; Hofacker, Andreas; Koerner, Christian; Leo, Karl

2018-02-01

Defects play an important role in the performance of organic solar cells. The investigation of trap states and their origin can provide ways to further improve their performance. Here, we investigate defects in a system composed of the small-molecule oligothiophene derivative DCV5T-Me blended with C60 , which shows power conversion efficiencies above 8% when used in a solar cell. From a reconstruction of the density of trap states by impedance spectroscopy, we obtain a Gaussian distribution of trap states with Et=470 meV below the electron transport level, Nt=8 ×1014 cm-3 , and σt=41 meV . From Voc vs illumination intensity and open-circuit corrected charge carrier extraction measurements, we find that these defects lead to trap-assisted recombination. Moreover, drift-diffusion simulations show that the trap states decrease the fill factor by 10%. By conducting degradation measurements and varying the blend ratio, we find that the observed trap states are structural defects in the C60 phase due to the distortion of the natural morphology induced by the mixing.

Electronic structure properties of deep defects in hBN

NASA Astrophysics Data System (ADS)

Dev, Pratibha; Prdm Collaboration

In recent years, the search for room-temperature solid-state qubit (quantum bit) candidates has revived interest in the study of deep-defect centers in semiconductors. The charged NV-center in diamond is the best known amongst these defects. However, as a host material, diamond poses several challenges and so, increasingly, there is an interest in exploring deep defects in alternative semiconductors such as hBN. The layered structure of hBN makes it a scalable platform for quantum applications, as there is a greater potential for controlling the location of the deep defect in the 2D-matrix through careful experiments. Using density functional theory-based methods, we have studied the electronic and structural properties of several deep defects in hBN. Native defects within hBN layers are shown to have high spin ground states that should survive even at room temperature, making them interesting solid-state qubit candidates in a 2D matrix. Partnership for Reduced Dimensional Material (PRDM) is part of the NSF sponsored Partnerships for Research and Education in Materials (PREM).

Metastable Defect Formation at Microvoids Identified as a Source of Light-Induced Degradation in a-Si :H

NASA Astrophysics Data System (ADS)

Fehr, M.; Schnegg, A.; Rech, B.; Astakhov, O.; Finger, F.; Bittl, R.; Teutloff, C.; Lips, K.

2014-02-01

Light-induced degradation of hydrogenated amorphous silicon (a-Si :H), known as the Staebler-Wronski effect, has been studied by time-domain pulsed electron-paramagnetic resonance. Electron-spin echo relaxation measurements in the annealed and light-soaked state revealed two types of defects (termed type I and II), which can be discerned by their electron-spin echo relaxation. Type I exhibits a monoexponential decay related to indirect flip-flop processes between dipolar coupled electron spins in defect clusters, while the phase relaxation of type II is dominated by H1 nuclear spin dynamics and is indicative for isolated spins. We propose that defects are either located at internal surfaces of microvoids (type I) or are isolated and uniformly distributed in the bulk (type II). The concentration of both defect type I and II is significantly higher in the light-soaked state compared to the annealed state. Our results indicate that in addition to isolated defects, defects on internal surfaces of microvoids play a role in light-induced degradation of device-quality a-Si :H.

Light Emission Mechanisms in CuInS 2 Quantum Dots Evaluated by Spectral Electrochemistry

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

Fuhr, Addis S.; Yun, Hyeong Jin; Makarov, Nikolay S.

Luminescent CuInS 2 (CIS) quantum dots (QDs) exhibit highly efficient intragap emission and long, hundreds-of-nanoseconds radiative lifetimes. These spectral properties, distinct from structurally similar II–VI QDs, can be explained by the involvement of intragap defect states containing a localized hole capable of coupling with a conduction band electron for a radiative transition. However, the absolute energies of the intragap and band-edge states, the structure of the emissive defect(s), and the role and origin of nonemissive decay channels still remain poorly understood. Here, we address these questions by applying methods of spectral electrochemistry. Cyclic voltammetry measurements reveal a well-defined intragap statemore » whose redox potential is close to that of the Cu x defect state (where x = 1+ or 2+). The energy offset of this state from the valence band accounts well for the apparent photoluminescence Stokes shift observed in optical spectra. These results provide direct evidence that Cu-related defects serve as emission centers responsible for strong intragap emission from CIS QDs. We then use in situ spectroelectrochemistry to reveal two distinct emission pathways based on the differing oxidation states of Cu defects, which can be controlled by altering QD stoichiometry (1+ for stoichiometric QDs and 2+ for Cu-deficient QDs).« less

Light Emission Mechanisms in CuInS 2 Quantum Dots Evaluated by Spectral Electrochemistry

DOE PAGES

Fuhr, Addis S.; Yun, Hyeong Jin; Makarov, Nikolay S.; ...

2017-09-07

Luminescent CuInS 2 (CIS) quantum dots (QDs) exhibit highly efficient intragap emission and long, hundreds-of-nanoseconds radiative lifetimes. These spectral properties, distinct from structurally similar II–VI QDs, can be explained by the involvement of intragap defect states containing a localized hole capable of coupling with a conduction band electron for a radiative transition. However, the absolute energies of the intragap and band-edge states, the structure of the emissive defect(s), and the role and origin of nonemissive decay channels still remain poorly understood. Here, we address these questions by applying methods of spectral electrochemistry. Cyclic voltammetry measurements reveal a well-defined intragap statemore » whose redox potential is close to that of the Cu x defect state (where x = 1+ or 2+). The energy offset of this state from the valence band accounts well for the apparent photoluminescence Stokes shift observed in optical spectra. These results provide direct evidence that Cu-related defects serve as emission centers responsible for strong intragap emission from CIS QDs. We then use in situ spectroelectrochemistry to reveal two distinct emission pathways based on the differing oxidation states of Cu defects, which can be controlled by altering QD stoichiometry (1+ for stoichiometric QDs and 2+ for Cu-deficient QDs).« less

Circuit analysis method for thin-film solar cell modules

NASA Technical Reports Server (NTRS)

Burger, D. R.

1985-01-01

The design of a thin-film solar cell module is dependent on the probability of occurrence of pinhole shunt defects. Using known or assumed defect density data, dichotomous population statistics can be used to calculate the number of defects expected in a module. Probability theory is then used to assign the defective cells to individual strings in a selected series-parallel circuit design. Iterative numerical calculation is used to calcuate I-V curves using cell test values or assumed defective cell values as inputs. Good and shunted cell I-V curves are added to determine the module output power and I-V curve. Different levels of shunt resistance can be selected to model different defect levels.

Metastability of the midgap level EL 2 in GaAs - Relationship with the As antisite defect

NASA Technical Reports Server (NTRS)

Skowronski, M.; Lagowski, J.; Gatos, H. C.

1985-01-01

It is found that the rate of the photoinduced transition of the GaAs midgap level EL 2 to its metastable state increases as its occupation increases. High-resolution optical spectra of this transition exhibit a sharp peak very similar to the no-phonon line of the intracenter absorption of the As antisite defect. These findings show that the transition to the metastable state is initiated from the ground state 1A1, and it is finalized via the excited state 1T2 of the neutral As antisite defect. They thus provide a new basis for the critical assessment of the EL 2 metastability models and further confirmation of the association of EL 2 with the isolated As antisite defect.

Reconfigurable and writable magnetic charge crystals

DOEpatents

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

2017-07-18

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

Rewritable artificial magnetic charge ice

DOE PAGES

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

2016-05-20

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

Rewritable artificial magnetic charge ice

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

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

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

Hydrogen density of states and defects densities in a-Si:H

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

Deane, S.C.; Powell, M.J.; Robertson, J.

1996-12-31

The properties of hydrogenated amorphous silicon (a-Si:H) and its devices depend fundamentally on the density of states (DOS) in the gap due to dangling bonds. It is generally believed that the density of dangling bonds is controlled by a chemical equilibrium with the weak Si-Si bonds which form the localized valence band tail states. Further details are given of a unified model of the hydrogen density of states and defect pool of a-Si:H. The model is compared to other defect models and extended to describe a-Si alloys and the creation of valence band tail states during growth.

Semiconducting molecular crystals: Bulk in-gap states modified by structural and chemical defects

NASA Astrophysics Data System (ADS)

Haas, S.; Krellner, C.; Goldmann, C.; Pernstich, K. P.; Gundlach, D. J.; Batlogg, B.

2007-03-01

Charge transport in organic molecular crystals is strongly influenced by the density of localized in-gap states (traps). Thus, a profound knowledge of the defect states' origin is essential. Temperature-dependent space-charge limited current (TD-SCLC) spectroscopy was used as a powerful tool to quantitatively study the density of states (DOS) in high-quality rubrene and pentacene single crystals. In particular, changes of the DOS due to intentionally induced chemical and structural defects were monitored. For instance, the controlled exposure of pentacene and rubrene to x-ray radiation results in a broad over-all increase of the DOS. Namely, the ionizing radiation induces a variety of both chemical and structural defects. On the other hand, exposure of rubrene to UV-excited oxygen is reflected in a sharp peak in the DOS, whereas in a similar experiment with pentacene oxygen acts as a dopant, and possible defects are metastable on the time-scale of the measurement, thus leaving the extracted DOS virtually unchanged.

Revealing the properties of defects formed by CH3NH2 molecules in organic-inorganic hybrid perovskite MAPbBr3

NASA Astrophysics Data System (ADS)

Wang, Ji; Zhang, Ao; Yan, Jun; Li, Dan; Chen, Yunlin

2017-03-01

The properties of defects in organic-inorganic hybrid perovskite are widely studied from the first-principles calculation. However, the defects of methylamine (methylamine = CH3NH2), which would be easily formed during the preparation of the organic-inorganic hybrid perovskite, are rarely investigated. Thermodynamic properties as well as defect states of methylamine embedded MAPbX3 (MA = methyl-ammonium = CH3NH3, X = Br, I) are studied based on first-principles calculations of density functional theory. It was found that there is a shallow defect level near the highest occupied molecular orbital, which induced by the interstitial methylamine defect in MAPbBr3, will lead to an increase of photoluminescence. The calculation results showed that interstitial defect states of methylamine may move deeper due to the interaction between methylamine molecules and methyl-ammonium cations. It was also showed that the interstitial methylamine defect is stable at room temperature, and the defect can be removed easily by annealing.

Strain-Engineered Oxygen Vacancies in CaMnO3 Thin Films.

PubMed

Chandrasena, Ravini U; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario U; Wijesekara, Kanishka D; Golalikhani, Maryam; Davidson, Bruce A; Arenholz, Elke; Kobayashi, Keisuke; Kobata, Masaaki; de Groot, Frank M F; Aschauer, Ulrich; Spaldin, Nicola A; Xi, Xiaoxing; Gray, Alexander X

2017-02-08

We demonstrate a novel pathway to control and stabilize oxygen vacancies in complex transition-metal oxide thin films. Using atomic layer-by-layer pulsed laser deposition (PLD) from two separate targets, we synthesize high-quality single-crystalline CaMnO 3 films with systematically varying oxygen vacancy defect formation energies as controlled by coherent tensile strain. The systematic increase of the oxygen vacancy content in CaMnO 3 as a function of applied in-plane strain is observed and confirmed experimentally using high-resolution soft X-ray absorption spectroscopy (XAS) in conjunction with bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES). The relevant defect states in the densities of states are identified and the vacancy content in the films quantified using the combination of first-principles theory and core-hole multiplet calculations with holistic fitting. Our findings open up a promising avenue for designing and controlling new ionically active properties and functionalities of complex transition-metal oxides via strain-induced oxygen-vacancy formation and ordering.

Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride

DOE PAGES

Nash, David J.; Restrepo, David T.; Parra, Natalia S.; ...

2016-12-21

Catalytic hydrogenation is an important process used for the production of everything from foods to fuels. Current heterogeneous implementations of this process utilize metals as the active species. Until recently, catalytic heterogeneous hydrogenation over a metal-free solid was unknown; implementation of such a system would eliminate the health, environmental, and economic concerns associated with metal-based catalysts. We report good hydrogenation rates and yields for a metal-free heterogeneous hydrogenation catalyst as well as its unique hydrogenation mechanism. We achieved catalytic hydrogenation of olefins over defect-laden h-BN (dh-BN) in a reactor designed to maximize the defects in h-BN sheets. Good yields (>90%)more » and turnover frequencies (6 × 10 –5–4 × 10 –3) were obtained for the hydrogenation of propene, cyclohexene, 1,1-diphenylethene, (E)- and (Z)-1,2-diphenylethene, octadecene, and benzylideneacetophenone. Temperature-programmed desorption of ethene over processed h-BN indicates the formation of a highly defective structure. Solid-state NMR (SSNMR) measurements of dh-BN with high and low propene surface coverages show four different binding modes. The introduction of defects into h-BN creates regions of electronic deficiency and excess. Density functional theory calculations show that both the alkene and hydrogen-bond order are reduced over four specific defects: boron substitution for nitrogen (B N), vacancies (V B and V N), and Stone–Wales defects. SSNMR and binding-energy calculations show that V N are most likely the catalytically active sites. Our work shows that catalytic sites can be introduced into a material previously thought to be catalytically inactive through the production of defects.« less

Influence of growth temperature on bulk and surface defects in hybrid lead halide perovskite films

NASA Astrophysics Data System (ADS)

Peng, Weina; Anand, Benoy; Liu, Lihong; Sampat, Siddharth; Bearden, Brandon E.; Malko, Anton V.; Chabal, Yves J.

2016-01-01

The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state density of samples prepared at 150 °C (~1017 cm-3) increases by 5 fold at 175 °C even though the average grains size increases slightly, ruling out grain boundary defects as the main mechanism for the observed differences in PL properties upon annealing. Upon surface passivation using water molecules, the PL intensity and lifetime of samples prepared at 200 °C are only partially improved, remaining significantly lower than those prepared at 150 °C. Thus, the present study indicates that the majority of these defect states observed at elevated growth temperatures originates from bulk defects and underscores the importance to control the formation of bulk defects together with grain boundary and surface defects to further improve the optoelectronic properties of perovskites.The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state density of samples prepared at 150 °C (~1017 cm-3) increases by 5 fold at 175 °C even though the average grains size increases slightly, ruling out grain boundary defects as the main mechanism for the observed differences in PL properties upon annealing. Upon surface passivation using water molecules, the PL intensity and lifetime of samples prepared at 200 °C are only partially improved, remaining significantly lower than those prepared at 150 °C. Thus, the present study indicates that the majority of these defect states observed at elevated growth temperatures originates from bulk defects and underscores the importance to control the formation of bulk defects together with grain boundary and surface defects to further improve the optoelectronic properties of perovskites. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06222e

Numerical study of metal oxide hetero-junction solar cells with defects and interface states

NASA Astrophysics Data System (ADS)

Zhu, Le; Shao, Guosheng; Luo, J. K.

2013-05-01

Further to our previous work on ideal metal oxide (MO) hetero-junction solar cells, a systematic simulation has been carried out to investigate the effects of defects and interface states on the cells. Two structures of the window/absorber (WA) and window/absorber/voltage-enhancer (WAV) were modelled with defect concentration, defect energy level, interface state (ISt) density and ISt energy level as parameters. The simulation showed that the defects in the window layer and the voltage-enhancer layer have very limited effects on the performance of the cells, but those in the absorption layer have profound effects on the cell performance. The interface states at the W/A interface have a limited effect on the performance even for a density up to 1013 cm-2, while those at the A/V interface cause the solar cell to deteriorate severely even at a low density of lower than 1 × 1011 cm-2. It also showed that the back surface field (BSF) induced by band gap off-set in the WAV structure loses its function when defects with a modest concentration exist in the absorption layer and does not improve the open voltage at all.

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

NASA Astrophysics Data System (ADS)

Bacuyag, Dhonny; Escaño, Mary Clare Sison; David, Melanie; Tani, Masahiko

2018-06-01

We performed first-principles calculations based on density functional theory (DFT) to investigate the role of point defects in the structural, electronic, and optical properties of the GaAs(001)- β2(2x4). In terms of structural properties, AsGa is the most stable defect structure, consistent with experiments. With respect to the electronic structure, band structures revealed the existence of sub-band and midgap states for all defects. The induced sub-bands and midgap states originated from the redistributions of charges towards these defects and neighboring atoms. The presence of these point defects introduced deep energy levels characteristic of EB3 (0.97 eV), EL4 (0.52 eV), and EL2 (0.82 eV) for AsGa, GaAs, GaV, respectively. The optical properties are found to be strongly related to these induced gap states. The calculated onset values in the absorption spectra, corresponding to the energy gaps, confirmed the absorption below the known bulk band gap of 1.43 eV. These support the possible two-step photoabsorption mediated by midgap states as observed in experiments.

Surface acceptor states in MBE-grown CdTe layers

NASA Astrophysics Data System (ADS)

Wichrowska, Karolina; Wosinski, Tadeusz; Tkaczyk, Zbigniew; Kolkovsky, Valery; Karczewski, Grzegorz

2018-04-01

A deep-level hole trap associated with surface defect states has been revealed with deep-level transient spectroscopy investigations of metal-semiconductor junctions fabricated on nitrogen doped p-type CdTe layers grown by the molecular-beam epitaxy technique. The trap displayed the hole-emission activation energy of 0.33 eV and the logarithmic capture kinetics indicating its relation to extended defect states at the metal-semiconductor interface. Strong electric-field-induced enhancement of the thermal emission rate of holes from the trap has been attributed to the phonon-assisted tunneling effect from defect states involving very large lattice relaxation around the defect and metastability of its occupied state. Passivation with ammonium sulfide of the CdTe surface, prior to metallization, results in a significant decrease in the trap density. It also results in a distinct reduction in the width of the surface-acceptor-state-induced hysteresis loops in the capacitance vs. voltage characteristics of the metal-semiconductor junctions.

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

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

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

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

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

DOE PAGES

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

2018-04-17

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

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

Nash, David J.; Restrepo, David T.; Parra, Natalia S.

Catalytic hydrogenation is an important process used for the production of everything from foods to fuels. Current heterogeneous implementations of this process utilize metals as the active species. Until recently, catalytic heterogeneous hydrogenation over a metal-free solid was unknown; implementation of such a system would eliminate the health, environmental, and economic concerns associated with metal-based catalysts. We report good hydrogenation rates and yields for a metal-free heterogeneous hydrogenation catalyst as well as its unique hydrogenation mechanism. We achieved catalytic hydrogenation of olefins over defect-laden h-BN (dh-BN) in a reactor designed to maximize the defects in h-BN sheets. Good yields (>90%)more » and turnover frequencies (6 × 10 –5–4 × 10 –3) were obtained for the hydrogenation of propene, cyclohexene, 1,1-diphenylethene, (E)- and (Z)-1,2-diphenylethene, octadecene, and benzylideneacetophenone. Temperature-programmed desorption of ethene over processed h-BN indicates the formation of a highly defective structure. Solid-state NMR (SSNMR) measurements of dh-BN with high and low propene surface coverages show four different binding modes. The introduction of defects into h-BN creates regions of electronic deficiency and excess. Density functional theory calculations show that both the alkene and hydrogen-bond order are reduced over four specific defects: boron substitution for nitrogen (B N), vacancies (V B and V N), and Stone–Wales defects. SSNMR and binding-energy calculations show that V N are most likely the catalytically active sites. Our work shows that catalytic sites can be introduced into a material previously thought to be catalytically inactive through the production of defects.« less

Assisted Reproductive Technology and Birth Defects Among Liveborn Infants in Florida, Massachusetts, and Michigan, 2000–2010

PubMed Central

Boulet, Sheree L.; Kirby, Russell S.; Reefhuis, Jennita; Zhang, Yujia; Sunderam, Saswati; Cohen, Bruce; Bernson, Dana; Copeland, Glenn; Bailey, Marie A.; Jamieson, Denise J.; Kissin, Dmitry M.

2016-01-01

IMPORTANCE Use of assisted reproductive technology (ART) has been associated with increased risks for birth defects. Variations in birth defect risks according to type of ART procedure have been noted, but findings are inconsistent. OBJECTIVES To examine the prevalence of birth defects among liveborn infants conceived with and without ART and to evaluate risks associated with certain ART procedures among ART-conceived infants. DESIGN, SETTING, AND PARTICIPANTS Used linked ART surveillance, birth certificates, and birth defects registry data for 3 states (Florida, Massachusetts, and Michigan). Methods for ascertaining birth defect cases varied by state. Resident live births during 2000 to 2010 were included, and the analysis was conducted between Feburary 2015 and August 2015. EXPOSURES Use of ART among all live births and use of certain ART procedures among ART births. MAIN OUTCOME AND MEASURES Prevalence of selected chromosomal and nonchromosomal birth defects that are usually diagnosed at or immediately after birth. RESULTS Of the 4 618 076 liveborn infants between 2000 and 2010, 64 861 (1.4%) were conceived using ART. Overall, the prevalence of 1 or more of the selected nonchromosomal defects was 58.59 per 10 000 for ART infants (n = 389) vs 47.50 per 10 000 for non-ART infants (n = 22 036). The association remained significant after adjusting for maternal characteristics and year of birth (adjusted risk ratio [aRR], 1.28; 95%CI, 1.15–1.42). Similar differences were observed for singleton ART births vs their non-ART counterparts (63.69 per 10 000 [n = 218] vs 47.17 per 10 000 [n = 21 251]; aRR, 1.38; 95%CI, 1.21–1.59). Among multiple births, the prevalence of rectal and large intestinal atresia/stenosis was higher for ART births compared with non-ART births (aRR, 2.39; 95%CI, 1.38–4.12). Among ART births conceived after fresh embryo transfer, infants born to mothers with ovulation disorders had a higher prevalence of nonchromosomal birth defects (aRR, 1.53; 95%CI, 1.13–2.06) than those born to mothers without the diagnosis, and use of assisted hatching was associated with birth defects among singleton births (aRR, 1.55; 95%CI, 1.10–2.19). Multiplicity-adjusted P values for these associations were greater than .05. CONCLUSIONS AND RELEVANCE Infants conceived after ART had a higher prevalence of certain birth defects. Assisted hatching and diagnosis of ovulation disorder were marginally associated with increased risks for nonchromosomal birth defects; however, these associations may be caused by other underlying factors. PMID:27043648

Suppression and enhancement of deep level emission of ZnO on Si4+ & V5+ substitution

NASA Astrophysics Data System (ADS)

Srivastava, T.; Bajpai, G.; Sen, S.

2018-03-01

ZnO possess a wide range of tunable properties depending on the type and concentration of dopant. Defects in ZnO due to doped aliovalent ions can generate certain functionalities. Such defects in the lattice do not deteriorate the material properties but actually modifies the material towards infinite number of possibilities. Defects like oxygen vacancies play a significant role in photocatalytic and sensing applications. Depending upon the functionality, defect state of ZnO can be modified by suitable doping. Amount and nature of different dopant has different effect on defect state of ZnO. It depends upon the ionic radii, valence state, chemical stability etc. of the ion doped. Two samples with two different dopants i.e., silicon and vanadium, Zn1-xSixO and Zn1-xVxO, for x=0 & 0.020, were synthesized using solgel method (a citric acid-glycerol route) followed by solid state sintering. A comparison of their optical properties, photoluminescence and UV-Vis spectroscopy, with pure ZnO was studied at room temperature. Silicon doping drastically reduces whereas vanadium doping enhances the green emission as compared with pure ZnO. Suppression and enhancement of defect levels (DLE) is rationalized by the effects of extra charge present on Si4+ & V5+ (in comparison to Zn2+) and formation of new hybrid state (V3d O2p) within bandgap. Reduction of defects in Zn1-xSixO makes it suitable material for opto-electronics application whereas enhancement in defects in Zn1-xVxO makes it suitable material for photocatalytic as well as gas sensing application.

First-principles study on C=C defects near SiC/SiO2 interface: Defect passivation by double-bond saturation

NASA Astrophysics Data System (ADS)

Tajima, Nobuo; Kaneko, Tomoaki; Yamasaki, Takahiro; Nara, Jun; Schimizu, Tatsuo; Kato, Koichi; Ohno, Takahisa

2018-04-01

Thermally produced SiC/SiO2 stacking in SiC MOSFETs creates defect-related interfacial states in and around the band gap of SiC. These interfacial states can cause serious reliability problems such as threshold voltage shift, as well as efficiency problems such as channel mobility degradation. Carbon species having C=C double bonds have been suggested as one of the origins of these interfacial states. We have theoretically shown that this type of defect produces interfacial states in and around the band gap of SiC, and that they can be removed by saturating the C=C double bond by reactions with H2 and F2. The single-bond products of these reactions are found to be stable at regular device operation temperatures.

Creation and annealing of metastable defect states in CH3NH3PbI3 at low temperatures

NASA Astrophysics Data System (ADS)

Lang, F.; Shargaieva, O.; Brus, V. V.; Rappich, J.; Nickel, N. H.

2018-02-01

Methylammonium lead iodide (CH3NH3PbI3), an organic-inorganic perovskite widely used for optoelectronic applications, is known to dissociate under illumination with light at photon energies around 2.7 eV and higher. Here, we show that photo-induced dissociation is not limited to ambient temperatures but can be observed even at 5 K. The photo-induced dissociation of N-H bonds results in the formation of metastable states. Photoluminescence (PL) measurements reveal the formation of defect states that are located 100 meV within the bandgap. This is accompanied by a quenching of the band-to-band PL by one order of magnitude. Defect generation is reversible and annealing at 30 K recovers the band-to-band PL, while the light-induced defect states disappear concurrently.

The electronic and optical properties of amorphous silica with hydrogen defects by ab initio calculations

NASA Astrophysics Data System (ADS)

Ren, Dahua; Xiang, Baoyan; Hu, Cheng; Qian, Kai; Cheng, Xinlu

2018-04-01

Hydrogen can be trapped in the bulk materials in four forms: interstitial molecular H2, interstitial atom H, O‑H+(2Si=O–H)+, Si‑H‑( {{4O}}\\bar \\equiv {{Si&x2212H}})‑ to affect the electronic and optical properties of amorphous silica. Therefore, the electronic and optical properties of defect-free and hydrogen defects in amorphous silica were performed within the scheme of density functional theory. Initially, the negative charged states hydrogen defects introduced new defect level between the valence band top and conduction band bottom. However, the neutral and positive charged state hydrogen defects made both the valence band and conduction band transfer to the lower energy. Subsequently, the optical properties such as absorption spectra, conductivity and loss functions were analyzed. It is indicated that the negative hydrogen defects caused the absorption peak ranging from 0 to 2.0 eV while the positive states produced absorption peaks at lower energy and two strong absorption peaks arose at 6.9 and 9.0 eV. However, the neutral hydrogen defects just improved the intensity of absorption spectrum. This may give insights into understanding the mechanism of laser-induced damage for optical materials. Project supported by the Science and Technology of Hubei Provincial Department of Education (No. B2017098).

Investigation of Plasma Phenomena in the Ionosphere Under Natural Conditions and Under Conditions Artificially Perturbed by HAARP

DTIC Science & Technology

2008-08-31

fabricated, the concept was tested , and a number of design defects were discovered, a usual occurrence. The test board was modified with cuts and...jumper wires to correct the defects and continue testing until the design was verified. Based on the testing , new artwork was prepared. Note that...mobile data was roughly similar to the fixed station data. It also revealed a circuit design defect that required further testing at the Bellevue

Current status of x-ray mask manufacturing at the Microlithographic Mask Development Center

NASA Astrophysics Data System (ADS)

Kimmel, Kurt R.; Hughes, Patrick J.

1996-07-01

The Microlithographic Mask Development Center (MMD) has been the focal point of X-ray mask development efforts in the United States since its inception in 1993. Funded by the Advanced Research Projects Agency (ARPA), and with technical support from the Proximity X-ray Lithography Association (AT&T, IBM, Loral Federal Systems, and Motorola) the MMD has recently made dramatic advances in mask fabrication. Numerous defect-free 64Mb and 256Mb DRAM masks have been made on both boron-doped silicon and silicon carbide substrates. Image-placement error of less than 35nm 3 sigma is achieved with high yield. Image-size (critical dimension) control of 25nm 3 sigma on 250nm nominal images is representative performance. This progress is being made in a manufacturing environment with significant volumes, multiple customers, multiple substrate configurations, and fast turnaround-time (TAT) requirements. The MMD state-of-the-art equipment infrastructure has made much of this progress possible. This year the MMD qualified the EL-4, an IBM-designed-and-built variable-shaped-spot e-beam system. The fundamental performance parameters of this system will be described. Operational techniques of multiple partial exposure writing and product specific emulation (PSE) have been implemented to improve image-placement accuracy with remarkable success. Image-size control was studied in detail with contributory components separated. Defect density was systematically reduced to yield defect-free masks while simultaneously tightening inspection criteria. Information about these and other recent engineering highlights will be reported. An outline of the primary engineering challenges and goals for 1996 and status of progress toward 100 nm design rule capability will also be given.

Electronic properties of B and Al doped graphane: A hybrid density functional study

NASA Astrophysics Data System (ADS)

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

2018-04-01

Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

Simple intrinsic defects in GaP and InP

NASA Astrophysics Data System (ADS)

Schultz, Peter A.

2012-02-01

To faithfully simulate evolution of defect chemistry and electrical response in irradiated semiconductor devices requires accurate defect reaction energies and energy levels. In III-Vs, good data is scarce, theory hampered by band gap and supercell problems. I apply density functional theory (DFT) to intrinsic defects in GaP and InP, predicting stable charge states, ground state configurations, defect energy levels, and identifying mobile species. The SeqQuest calculations incorporate rigorous charge boundary conditions removing supercell artifacts, demonstrated converged to the infinite limit. Computed defect levels are not limited by a band gap problem, despite Kohn-Sham gaps much smaller than the experimental gap. As in GaAs, [P.A. Schultz and O.A. von Lilienfeld, Modeling Simul. Mater. Sci. Eng. 17, 084007 (2009)], defects in GaP and InP exhibit great complexity---multitudes of charge states, bistabilities, and negative U systems---but show similarities to each other (and to GaAs). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Intentional defect array wafers: their practical use in semiconductor control and monitoring systems

NASA Astrophysics Data System (ADS)

Emami, Iraj; McIntyre, Michael; Retersdorf, Michael

2003-07-01

In the competitive world of semiconductor manufacturing today, control of the process and manufacturing equipment is paramount to success of the business. Consistent with the need for rapid development of process technology, is a need for development wiht respect to equipment control including defect metrology tools. Historical control methods for defect metrology tools included a raw count of defects detected on a characterized production or test wafer with little or not regard to the attributes of the detected defects. Over time, these characterized wafers degrade with multiple passes on the tools and handling requiring the tool owner to create and characterize new samples periodically. With the complex engineering software analysis systems used today, there is a strong reliance on the accuracy of defect size, location, and classification in order to provide the best value when correlating the in line to sort type of data. Intentional Defect Array (IDA) wafers were designed and manufacturered at International Sematech (ISMT) in Austin, Texas and is a product of collaboration between ISMT member companies and suppliers of advanced defect inspection equipment. These wafers provide the use with known defect types and sizes in predetermined locations across the entire wafer. The wafers are designed to incorporate several desired flows and use critical dimensions consistent with current and future technology nodes. This paper briefly describes the design of the IDA wafer and details many practical applications in the control of advanced defect inspection equipment.

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

DOE PAGES

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

2017-09-28

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

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

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

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

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

Strong spin-orbit splitting and magnetism of point defect states in monolayer WS2

NASA Astrophysics Data System (ADS)

Li, Wun-Fan; Fang, Changming; van Huis, Marijn A.

2016-11-01

The spin-orbit coupling (SOC) effect has been known to be profound in monolayer pristine transition metal dichalcogenides (TMDs). Here we show that point defects, which are omnipresent in the TMD membranes, exhibit even stronger SOC effects and change the physics of the host materials drastically. In this article we chose the representative monolayer WS2 slabs from the TMD family together with seven typical types of point defects including monovacancies, interstitials, and antisites. We calculated the formation energies of these defects, and studied the effect of spin-orbit coupling (SOC) on the corresponding defect states. We found that the S monovacancy (VS) and S interstitial (adatom) have the lowest formation energies. In the case of VS and both of the WS and WS 2 antisites, the defect states exhibit strong splitting up to 296 meV when SOC is considered. Depending on the relative position of the defect state with respect to the conduction band minimum (CBM), the hybrid functional HSE will either increase the splitting by up to 60 meV (far from CBM), or decrease the splitting by up to 57 meV (close to CBM). Furthermore, we found that both the WS and WS 2 antisites possess a magnetic moment of 2 μB localized at the antisite W atom and the neighboring W atoms. The dependence of SOC on the orientation of the magnetic moment for the WS and WS 2 antisites is discussed. All these findings provide insights in the defect behavior under SOC and point to possibilities for spintronics applications for TMDs.

Tunable artificial vortex ice in nanostructured superconductors with a frustrated kagome lattice of paired antidots

NASA Astrophysics Data System (ADS)

Xue, C.; Ge, J.-Y.; He, A.; Zharinov, V. S.; Moshchalkov, V. V.; Zhou, Y. H.; Silhanek, A. V.; Van de Vondel, J.

2018-04-01

Theoretical proposals for spin-ice analogs based on nanostructured superconductors have suggested larger flexibility for probing the effects of fluctuations and disorder than in the magnetic systems. In this paper, we unveil the particularities of a vortex ice system by direct observation of the vortex distribution in a kagome lattice of paired antidots using scanning Hall probe microscopy. The theoretically suggested vortex ice distribution, lacking long-range order, is observed at half matching field (H1/2 ). Moreover, the vortex ice state formed by the pinned vortices is still preserved at 2 H1/3 . This unexpected result is attributed to the introduction of interstitial vortices at these magnetic-field values. Although the interstitial vortices increase the number of possible vortex configurations, it is clearly shown that the vortex ice state observed at 2 H1/3 is less prone to defects than at H1/2 . In addition, the nonmonotonic variations of the vortex ice quality on the lattice spacing indicates that a highly ordered vortex ice state cannot be attained by simply reducing the lattice spacing. The optimal design to observe defect-free vortex ice is discussed based on the experimental statistics. The direct observations of a tunable vortex ice state provides new opportunities to explore the order-disorder transition in artificial ice systems.

Computationally-efficient stochastic cluster dynamics method for modeling damage accumulation in irradiated materials

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

Hoang, Tuan L.; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, CA 94550; Marian, Jaime, E-mail: jmarian@ucla.edu

2015-11-01

An improved version of a recently developed stochastic cluster dynamics (SCD) method (Marian and Bulatov, 2012) [6] is introduced as an alternative to rate theory (RT) methods for solving coupled ordinary differential equation (ODE) systems for irradiation damage simulations. SCD circumvents by design the curse of dimensionality of the variable space that renders traditional ODE-based RT approaches inefficient when handling complex defect population comprised of multiple (more than two) defect species. Several improvements introduced here enable efficient and accurate simulations of irradiated materials up to realistic (high) damage doses characteristic of next-generation nuclear systems. The first improvement is a proceduremore » for efficiently updating the defect reaction-network and event selection in the context of a dynamically expanding reaction-network. Next is a novel implementation of the τ-leaping method that speeds up SCD simulations by advancing the state of the reaction network in large time increments when appropriate. Lastly, a volume rescaling procedure is introduced to control the computational complexity of the expanding reaction-network through occasional reductions of the defect population while maintaining accurate statistics. The enhanced SCD method is then applied to model defect cluster accumulation in iron thin films subjected to triple ion-beam (Fe{sup 3+}, He{sup +} and H{sup +}) irradiations, for which standard RT or spatially-resolved kinetic Monte Carlo simulations are prohibitively expensive.« less

Factors affecting maternal participation in the genetic component of the National Birth Defects Prevention Study-United States, 1997-2007.

PubMed

Glidewell, Jill; Reefhuis, Jennita; Rasmussen, Sonja A; Woomert, Alison; Hobbs, Charlotte; Romitti, Paul A; Crider, Krista S

2014-04-01

As epidemiological studies expand to examine gene-environment interaction effects, it is important to identify factors associated with participation in genetic studies. The National Birth Defects Prevention Study is a multisite case-control study designed to investigate environmental and genetic risk factors for major birth defects. The National Birth Defects Prevention Study includes maternal telephone interviews and mailed buccal cell self-collection kits. Because subjects can participate in the interview, independent of buccal cell collection, detailed analysis of factors associated with participation in buccal cell collection was possible. Multivariable logistic regression models were used to identify the factors associated with participation in the genetic component of the study. Buccal cell participation rates varied by race/ethnicity (non-Hispanic whites, 66.9%; Hispanics, 60.4%; and non-Hispanic blacks, 47.3%) and study site (50.2-74.2%). Additional monetary incentive following return of buccal cell kit and shorter interval between infant's estimated date of delivery and interview were associated with increased participation across all racial/ethnic groups. Higher education and delivering an infant with a birth defect were associated with increased participation among non-Hispanic whites and Hispanics. Factors associated with participation varied by race/ethnicity. Improved understanding of factors associated with participation may facilitate strategies to increase participation, thereby improving generalizability of study findings.

Computationally-efficient stochastic cluster dynamics method for modeling damage accumulation in irradiated materials

NASA Astrophysics Data System (ADS)

Hoang, Tuan L.; Marian, Jaime; Bulatov, Vasily V.; Hosemann, Peter

2015-11-01

An improved version of a recently developed stochastic cluster dynamics (SCD) method (Marian and Bulatov, 2012) [6] is introduced as an alternative to rate theory (RT) methods for solving coupled ordinary differential equation (ODE) systems for irradiation damage simulations. SCD circumvents by design the curse of dimensionality of the variable space that renders traditional ODE-based RT approaches inefficient when handling complex defect population comprised of multiple (more than two) defect species. Several improvements introduced here enable efficient and accurate simulations of irradiated materials up to realistic (high) damage doses characteristic of next-generation nuclear systems. The first improvement is a procedure for efficiently updating the defect reaction-network and event selection in the context of a dynamically expanding reaction-network. Next is a novel implementation of the τ-leaping method that speeds up SCD simulations by advancing the state of the reaction network in large time increments when appropriate. Lastly, a volume rescaling procedure is introduced to control the computational complexity of the expanding reaction-network through occasional reductions of the defect population while maintaining accurate statistics. The enhanced SCD method is then applied to model defect cluster accumulation in iron thin films subjected to triple ion-beam (Fe3+, He+ and H+) irradiations, for which standard RT or spatially-resolved kinetic Monte Carlo simulations are prohibitively expensive.

Role of the charge state of interface defects in electronic inhomogeneity evolution with gate voltage in graphene

NASA Astrophysics Data System (ADS)

Singh, Anil Kumar; Gupta, Anjan K.

2018-05-01

Evolution of electronic inhomogeneities with back-gate voltage in graphene on SiO2 was studied using room temperature scanning tunneling microscopy and spectroscopy. Reversal of contrast in some places in the conductance maps and sharp changes in cross correlations between topographic and conductance maps, when graphene Fermi energy approaches its Dirac point, are attributed to the change in charge state of interface defects. The spatial correlations in the conductance maps, described by two length scales, and their growth during approach to Dirac point, show a qualitative agreement with the predictions of the screening theory of graphene. Thus a sharp change in the two length scales close to the Dirac point, seen in our experiments, is interpreted in terms of the change in charge state of some of the interface defects. A systematic understanding and control of the charge state of defects can help in memory applications of graphene.

Magnetic properties of Mn-doped GaN with defects: ab-initio calculations

NASA Astrophysics Data System (ADS)

Salmani, E.; Benyoussef, A.; Ez-Zahraouy, H.; H. Saidi, E.

2011-08-01

According to first-principles density functional calculations, we have investigated the magnetic properties of Mn-doped GaN with defects, Ga1-x-yVGxMny N1-z-tVNzOt with Mn substituted at Ga sites, nitrogen vacancies VN, gallium vacancies VG and oxygen substituted at nitrogen sites. The magnetic interaction in Mn-doped GaN favours the ferromagnetic coupling via the double exchange mechanism. The ground state is found to be well described by a model based on a Mn3+-d5 in a high spin state coupled via a double exchange to a partially delocalized hole accommodated in the 2p states of neighbouring nitrogen ions. The effect of defects on ferromagnetic coupling is investigated. It is found that in the presence of donor defects, such as oxygen substituted at nitrogen sites, nitrogen vacancy antiferromagnetic interactions appear, while in the case of Ga vacancies, the interactions remain ferromagnetic; in the case of acceptor defects like Mg and Zn codoping, ferromagnetism is stabilized. The formation energies of these defects are computed. Furthermore, the half-metallic behaviours appear in some studied compounds.

Comparison of fasciocutaneous V-Y and rotational flaps for defect coverage of sacral pressure sores: a critical single-centre appraisal.

PubMed

Djedovic, Gabriel; Metzler, Julia; Morandi, Evi M; Wachter, Tanja; Kühn, Shafreena; Pierer, Gerhard; Rieger, Ulrich M

2017-12-01

Pressure sore rates remain high in both nursing homes as well as in hospitals. Numerous surgical options are available for defect coverage in the sacral region. However, objective data is scarce as to whether a specific flap design is superior to another. Here, we aim to compare two fasciocutaneous flap designs for sacral defect coverage: the gluteal rotation flap and the gluteal V-Y flap. All primary sacral pressure sores of grades III-IV that were being covered with gluteal fasciocutaneous rotational or V-Y flaps between January 2008 and December 2014 at our institution were analysed. A total of 41 patients received a total of 52 flaps. Of these, 18 patients received 20 gluteal rotational flaps, and 23 patients received 32 V-Y flaps. Both groups were comparable with regards to demographics, comorbidities and complications. Significantly more V-Y flaps were needed to cover smaller defects. Mean length of hospital stay was significantly prolonged when surgical revision had to be carried out. Both flap designs have proven safe and reliable for defect coverage after sacral pressure sores. Gluteal rotational flaps appear to be more useful for larger defects. Both flap designs facilitate their reuse in case of pressure sore recurrence. Complication rates appear to be comparable in both designs and to the current literature. © 2017 Medicalhelplines.com Inc and John Wiley & Sons Ltd.

Dual passivation of intrinsic defects at the compound semiconductor/oxide interface using an oxidant and a reductant.

PubMed

Kent, Tyler; Chagarov, Evgeniy; Edmonds, Mary; Droopad, Ravi; Kummel, Andrew C

2015-05-26

Studies have shown that metal oxide semiconductor field-effect transistors fabricated utilizing compound semiconductors as the channel are limited in their electrical performance. This is attributed to imperfections at the semiconductor/oxide interface which cause electronic trap states, resulting in inefficient modulation of the Fermi level. The physical origin of these states is still debated mainly because of the difficulty in assigning a particular electronic state to a specific physical defect. To gain insight into the exact source of the electronic trap states, density functional theory was employed to model the intrinsic physical defects on the InGaAs (2 × 4) surface and to model the effective passivation of these defects by utilizing both an oxidant and a reductant to eliminate metallic bonds and dangling-bond-induced strain at the interface. Scanning tunneling microscopy and spectroscopy were employed to experimentally determine the physical and electronic defects and to verify the effectiveness of dual passivation with an oxidant and a reductant. While subsurface chemisorption of oxidants on compound semiconductor substrates can be detrimental, it has been shown theoretically and experimentally that oxidants are critical to removing metallic defects at oxide/compound semiconductor interfaces present in nanoscale channels, oxides, and other nanostructures.

Probabilistic distributions of pinhole defects in atomic layer deposited films on polymeric substrates

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

Yersak, Alexander S., E-mail: alexander.yersak@colorado.edu; Lee, Yung-Cheng

Pinhole defects in atomic layer deposition (ALD) coatings were measured in an area of 30 cm{sup 2} in an ALD reactor, and these defects were represented by a probabilistic cluster model instead of a single defect density value with number of defects over area. With the probabilistic cluster model, the pinhole defects were simulated over a manufacturing scale surface area of ∼1 m{sup 2}. Large-area pinhole defect simulations were used to develop an improved and enhanced design method for ALD-based devices. A flexible thermal ground plane (FTGP) device requiring ALD hermetic coatings was used as an example. Using a single defectmore » density value, it was determined that for an application with operation temperatures higher than 60 °C, the FTGP device would not be possible. The new probabilistic cluster model shows that up to 40.3% of the FTGP would be acceptable. With this new approach the manufacturing yield of ALD-enabled or other thin film based devices with different design configurations can be determined. It is important to guide process optimization and control and design for manufacturability.« less

Printability of 1 x reticle defects for submicron design rules

NASA Astrophysics Data System (ADS)

Schurz, Dan L.; Flack, Warren W.; Newman, Gary

1997-02-01

As the push for improved resolution in wafer lithography intensifies and 0.18 micrometer devices are nearing production, the potential impact of subhalf micron reticle defects has become a growing concern. There have been several studies on the printability of subhalf-micron defects on high resolution reduction photolithography equipment. These studies have been extended to 1X lithography systems and more recently to advanced sub-micron 1X steppers. Previous studies have indicated that 0.20 micrometer opaque and 0.25 micrometer clear pinhole defects were at the margins of adversely impacting 0.65 micrometer lithography on a 1X stepper. However, due to the limited number of defects at these sizes on the reticle, definitive conclusions on printability could not be drawn. An additional study, using a three dimensional (3D) optical lithography simulation program, has shown defect size, proximity to an adjacent feature, and feature pitch to be significant factors contributing to reticle defect printability. Using the simulation findings as a guide, a new reticle was designed to contain an increased number of clear pinhole and opaque defects in the 0.15 to 0.30 micrometer range located in multiple pitches of both horizontal and vertical line/space pairs. Defect printability was determined using a 1X i-line projection stepper with focus and exposure optimized for nominal critical dimensions of 0.65 micrometer. The reticle and wafer defects were measured using low voltage SEM metrology. Simulation and experimental results have shown that pitch is the most significant contributor in the printability of clear pinhole, opaque, square and aspect ratio defects. In general, the impact of defect proximity to an adjacent feature is less extreme than the effect of pitch, but is more pronounced for clear pinhole defects. This study suggests that simulation can be a useful tool to help lithographers understand the behavior of reticle defects for particular layout design parameters. Consequently, simulation can be used to develop realistic reticle defect specifications with mask vendors, and improve cost-effectiveness. Defect printability simulation can also be used to predict the effect of known defects on existing reticles to determine if these reticles should be used for manufacturing.

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

NASA Astrophysics Data System (ADS)

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

2011-09-01

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

Angle dependent defect modes in a photonic crystal filter doped by high and low temperature superconductor defects

NASA Astrophysics Data System (ADS)

Sreejith K., P.; Mathew, Vincent

2018-05-01

We have theoretically investigated the incident angle dependent defect modes in a dual channel photonic crystal filter composed of a high and low temperature superconductor defects. It is observed that the defect mode wavelength can be significantly tuned by incident angle for both polarizations. The angle sensitive defect mode property is of particular application in designing narrow band transmission filter.

76 FR 53875 - United States Standards for Grades of Cultivated Ginseng

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-30

... external and internal defects, ginseng (Panax ginseng). Ginseng provide an introduction to what mold, rust.... Rust would be removed from the ``Defects'' means any mechanical, ``Defects'' means any mechanical...

Tuning thermal conduction via extended defects in graphene

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

Modeling Defects, Shape Evolution, and Programmed Auto-origami in Liquid Crystal Elastomers

NASA Astrophysics Data System (ADS)

Konya, Andrew; Gimenez-Pinto, Vianney; Selinger, Robin

2016-06-01

Liquid crystal elastomers represent a novel class of programmable shape-transforming materials whose shape change trajectory is encoded in the material’s nematic director field. Using three-dimensional nonlinear finite element elastodynamics simulation, we model a variety of different actuation geometries and device designs: thin films containing topological defects, patterns that induce formation of folds and twists, and a bas-relief structure. The inclusion of finite bending energy in the simulation model reveals features of actuation trajectory that may be absent when bending energy is neglected. We examine geometries with a director pattern uniform through the film thickness encoding multiple regions of positive Gaussian curvature. Simulations indicate that heating such a system uniformly produces a disordered state with curved regions emerging randomly in both directions due to the film’s up/down symmetry. By contrast, applying a thermal gradient by heating the material first on one side breaks up/down symmetry and results in a deterministic trajectory producing a more ordered final shape. We demonstrate that a folding zone design containing cut-out areas accommodates transverse displacements without warping or buckling; and demonstrate that bas-relief and more complex bent/twisted structures can be assembled by combining simple design motifs.

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 to doping energy and explain photostimulated luminescence in terms of native point defects.

Influence of growth temperature on bulk and surface defects in hybrid lead halide perovskite films.

PubMed

Peng, Weina; Anand, Benoy; Liu, Lihong; Sampat, Siddharth; Bearden, Brandon E; Malko, Anton V; Chabal, Yves J

2016-01-21

The rapid development of perovskite solar cells has focused its attention on defects in perovskites, which are gradually realized to strongly control the device performance. A fundamental understanding is therefore needed for further improvement in this field. Recent efforts have mainly focused on minimizing the surface defects and grain boundaries in thin films. Using time-resolved photoluminescence spectroscopy, we show that bulk defects in perovskite samples prepared using vapor assisted solution process (VASP) play a key role in addition to surface and grain boundary defects. The defect state density of samples prepared at 150 °C (∼10(17) cm(-3)) increases by 5 fold at 175 °C even though the average grains size increases slightly, ruling out grain boundary defects as the main mechanism for the observed differences in PL properties upon annealing. Upon surface passivation using water molecules, the PL intensity and lifetime of samples prepared at 200 °C are only partially improved, remaining significantly lower than those prepared at 150 °C. Thus, the present study indicates that the majority of these defect states observed at elevated growth temperatures originates from bulk defects and underscores the importance to control the formation of bulk defects together with grain boundary and surface defects to further improve the optoelectronic properties of perovskites.

Solid State Lighting Program (Falcon)

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

Meeks, Steven

2012-06-30

Over the past two years, KLA-Tencor and partners successfully developed and deployed software and hardware tools that increase product yield for High Brightness LED (HBLED) manufacturing and reduce product development and factory ramp times. This report summarizes our development effort and details of how the results of the Solid State Light Program (Falcon) have started to help HBLED manufacturers optimize process control by enabling them to flag and correct identified killer defect conditions at any point of origin in the process manufacturing flow. This constitutes a quantum leap in yield management over current practice. Current practice consists of die dispositioningmore » which is just rejection of bad die at end of process based upon probe tests, loosely assisted by optical in-line monitoring for gross process deficiencies. For the first time, and as a result of our Solid State Lighting Program, our LED manufacturing partners have obtained the software and hardware tools that optimize individual process steps to control killer defects at the point in the processes where they originate. Products developed during our two year program enable optimized inspection strategies for many product lines to minimize cost and maximize yield. The Solid State Lighting Program was structured in three phases: i) the development of advanced imaging modes that achieve clear separation between LED defect types, improves signal to noise and scan rates, and minimizes nuisance defects for both front end and back end inspection tools, ii) the creation of defect source analysis (DSA) software that connect the defect maps from back-end and front-end HBLED manufacturing tools to permit the automatic overlay and traceability of defects between tools and process steps, suppress nuisance defects, and identify the origin of killer defects with process step and conditions, and iii) working with partners (Philips Lumileds) on product wafers, obtain a detailed statistical correlation of automated defect and DSA map overlay to failed die identified using end product probe test results. Results from our two year effort have led to “automated end-to-end defect detection” with full defect traceability and the ability to unambiguously correlate device killer defects to optically detected features and their point of origin within the process. Success of the program can be measured by yield improvements at our partner’s facilities and new product orders.« less

Localized topological states in Bragg multihelicoidal fibers with twist defects

NASA Astrophysics Data System (ADS)

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

2016-06-01

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

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

PubMed

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

2006-08-07

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

Clues from defect photochemistry

NASA Astrophysics Data System (ADS)

De Angelis, Filippo; Petrozza, Annamaria

2018-05-01

Charge carriers in metal halide perovskites seem to be only marginally affected by defect-related trap states. Filippo De Angelis and Annamaria Petrozza suggest that the key to this behaviour lies in the redox chemistry of halide defects.

Finite-element design and optimization of a three-dimensional tetrahedral porous titanium scaffold for the reconstruction of mandibular defects.

PubMed

Luo, Danmei; Rong, Qiguo; Chen, Quan

2017-09-01

Reconstruction of segmental defects in the mandible remains a challenge for maxillofacial surgery. The use of porous scaffolds is a potential method for repairing these defects. Now, additive manufacturing techniques provide a solution for the fabrication of porous scaffolds with specific geometrical shapes and complex structures. The goal of this study was to design and optimize a three-dimensional tetrahedral titanium scaffold for the reconstruction of mandibular defects. With a fixed strut diameter of 0.45mm and a mean cell size of 2.2mm, a tetrahedral structural porous scaffold was designed for a simulated anatomical defect derived from computed tomography (CT) data of a human mandible. An optimization method based on the concept of uniform stress was performed on the initial scaffold to realize a minimal-weight design. Geometric and mechanical comparisons between the initial and optimized scaffold show that the optimized scaffold exhibits a larger porosity, 81.90%, as well as a more homogeneous stress distribution. These results demonstrate that tetrahedral structural titanium scaffolds are feasible structures for repairing mandibular defects, and that the proposed optimization scheme has the ability to produce superior scaffolds for mandibular reconstruction with better stability, higher porosity, and less weight. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

The role of nitrogen doping in ALD Ta2O5 and its influence on multilevel cell switching in RRAM

NASA Astrophysics Data System (ADS)

Sedghi, N.; Li, H.; Brunell, I. F.; Dawson, K.; Potter, R. J.; Guo, Y.; Gibbon, J. T.; Dhanak, V. R.; Zhang, W. D.; Zhang, J. F.; Robertson, J.; Hall, S.; Chalker, P. R.

2017-03-01

The role of nitrogen doping on the stability and memory window of resistive state switching in N-doped Ta2O5 deposited by atomic layer deposition is elucidated. Nitrogen incorporation increases the stability of resistive memory states which is attributed to neutralization of electronic defect levels associated with oxygen vacancies. The density functional simulations with the screened exchange hybrid functional approximation show that the incorporation of nitrogen dopant atoms in the oxide network removes the O vacancy midgap defect states, thus nullifying excess defects and eliminating alternative conductive paths. By effectively reducing the density of vacancy-induced defect states through N doping, 3-bit multilevel cell switching is demonstrated, consisting of eight distinctive resistive memory states achieved by either controlling the set current compliance or the maximum voltage during reset. Nitrogen doping has a threefold effect: widening the switching memory window to accommodate the more intermediate states, improving the stability of states, and providing a gradual reset for multi-level cell switching during reset. The N-doped Ta2O5 devices have relatively small set and reset voltages (< 1 V) with reduced variability due to doping.

Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

PubMed Central

Mei, Jun; Chen, Zeguo; Wu, Ying

2016-01-01

We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Γ point, we can construct pseudo-time-reversal symmetry as well as pseudo-spin states in this classical system. We develop an effective Hamiltonian for the associated dispersion bands around the Brillouin zone center, and find the inherent link between the band inversion and the topological phase transition. With numerical simulations, we unambiguously demonstrate the unidirectional propagation of acoustic edge states along the interface between a topologically nontrivial acoustic crystal and a trivial one, and the robustness of the edge states against defects with sharp bends. Our work provides a new design paradigm for manipulating and transporting acoustic waves in a topologically protected manner. Technological applications and devices based on our design are expected in various frequency ranges of interest, spanning from infrasound to ultrasound. PMID:27587311

Ultrafast carrier dynamics in band edge and broad deep defect emission ZnSe nanowires

NASA Astrophysics Data System (ADS)

Othonos, Andreas; Lioudakis, Emmanouil; Philipose, U.; Ruda, Harry E.

2007-12-01

Ultrafast carrier dynamics of ZnSe nanowires grown under different growth conditions have been studied. Transient absorption measurements reveal the dependence of the competing effects of state filling and photoinduced absorption on the probed energy states. The relaxation of the photogenerated carriers occupying defect states in the stoichiometric and Se-rich samples are single exponentials with time constants of 3-4ps. State filling is the main contribution for probe energies below 1.85eV in the Zn-rich grown sample. This ultrafast carrier dynamics study provides an important insight into the role that intrinsic point defects play in the observed photoluminescence from ZnSe nanowires.

Implications of permeation through intrinsic defects in graphene on the design of defect-tolerant membranes for gas separation.

PubMed

Boutilier, Michael S H; Sun, Chengzhen; O'Hern, Sean C; Au, Harold; Hadjiconstantinou, Nicolas G; Karnik, Rohit

2014-01-28

Gas transport through intrinsic defects and tears is a critical yet poorly understood phenomenon in graphene membranes for gas separation. We report that independent stacking of graphene layers on a porous support exponentially decreases flow through defects. On the basis of experimental results, we develop a gas transport model that elucidates the separate contributions of tears and intrinsic defects on gas leakage through these membranes. The model shows that the pore size of the porous support and its permeance critically affect the separation behavior, and reveals the parameter space where gas separation can be achieved regardless of the presence of nonselective defects, even for single-layer membranes. The results provide a framework for understanding gas transport in graphene membranes and guide the design of practical, selectively permeable graphene membranes for gas separation.

Anomalous satellite inductive peaks in alternating current response of defective carbon nanotubes

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

Hirai, Daisuke; Watanabe, Satoshi; Yamamoto, Takahiro

2014-05-07

AC response of defective metallic carbon nanotubes is investigated from first principles. We found that capacitive peaks appear at electron scattering states. Moreover, we show that satellite inductive peaks are seen adjacent to a main capacitive peak, which is in contrast to the conductance spectra having no satellite features. The appearance of satellite inductive peaks seems to depend on the scattering states. Our analysis with a simple resonant scattering model reveals that the origin of the satellite inductive peaks can be understood by just one parameter, i.e., the lifetime of electrons at a defect state.

Near-Infrared and Optical Beam Steering and Frequency Splitting in Air-Holes-in-Silicon Inverse Photonic Crystals

PubMed Central

2017-01-01

We present the design of a dielectric inverse photonic crystal structure that couples line-defect waveguide propagating modes into highly directional beams of controllable directionality. The structure utilizes a triangular lattice made of air holes drilled in an infinitely thick Si slab, and it is designed for operation in the near-infrared and optical regime. The structure operation is based on the excitation and manipulation of dark dielectric surface states, in particular on the tailoring of the dark states’ coupling to outgoing radiation. This coupling is achieved with the use of properly designed external corrugations. The structure adapts and matches modes that travel through the photonic crystal and the free space. Moreover it facilitates the steering of the outgoing waves, is found to generate well-defined, spatially and spectrally isolated beams, and may serve as a frequency splitting component designed for operation in the near-infrared regime and in particular the telecom optical wavelength band. The design complies with the state-of-the-art Si nanofabrication technology and can be directly scaled for operation in the optical regime. PMID:29541653

Finite element analysis of 6 large PMMA skull reconstructions: A multi-criteria evaluation approach

PubMed Central

Ridwan-Pramana, Angela; Marcián, Petr; Borák, Libor; Narra, Nathaniel; Forouzanfar, Tymour; Wolff, Jan

2017-01-01

In this study 6 pre-operative designs for PMMA based reconstructions of cranial defects were evaluated for their mechanical robustness using finite element modeling. Clinical experience and engineering principles were employed to create multiple plan options, which were subsequently computationally analyzed for mechanically relevant parameters under 50N loads: stress, strain and deformation in various components of the assembly. The factors assessed were: defect size, location and shape. The major variable in the cranioplasty assembly design was the arrangement of the fixation plates. An additional study variable introduced was the location of the 50N load within the implant area. It was found that in smaller defects, it was simpler to design a symmetric distribution of plates and under limited variability in load location it was possible to design an optimal for expected loads. However, for very large defects with complex shapes, the variability in the load locations introduces complications to the intuitive design of the optimal assembly. The study shows that it can be beneficial to incorporate multi design computational analyses to decide upon the most optimal plan for a clinical case. PMID:28609471

Finite element analysis of 6 large PMMA skull reconstructions: A multi-criteria evaluation approach.

PubMed

Ridwan-Pramana, Angela; Marcián, Petr; Borák, Libor; Narra, Nathaniel; Forouzanfar, Tymour; Wolff, Jan

2017-01-01

In this study 6 pre-operative designs for PMMA based reconstructions of cranial defects were evaluated for their mechanical robustness using finite element modeling. Clinical experience and engineering principles were employed to create multiple plan options, which were subsequently computationally analyzed for mechanically relevant parameters under 50N loads: stress, strain and deformation in various components of the assembly. The factors assessed were: defect size, location and shape. The major variable in the cranioplasty assembly design was the arrangement of the fixation plates. An additional study variable introduced was the location of the 50N load within the implant area. It was found that in smaller defects, it was simpler to design a symmetric distribution of plates and under limited variability in load location it was possible to design an optimal for expected loads. However, for very large defects with complex shapes, the variability in the load locations introduces complications to the intuitive design of the optimal assembly. The study shows that it can be beneficial to incorporate multi design computational analyses to decide upon the most optimal plan for a clinical case.

The National Birth Defects Prevention Study: a review of the methods

PubMed Central

Reefhuis, Jennita; Gilboa, Suzanne M.; Anderka, Marlene; Browne, Marilyn L.; Feldkamp, Marcia L.; Hobbs, Charlotte A.; Jenkins, Mary M.; Langlois, Peter H.; Newsome, Kimberly B.; Olshan, Andrew F.; Romitti, Paul A.; Shapira, Stuart K.; Shaw, Gary M.; Tinker, Sarah C.; Honein, Margaret A.

2015-01-01

Background The National Birth Defects Prevention Study (NBDPS) is a large population-based multi-center case-control study of major birth defects in the United States. Methods Data collection took place from 1998 through 2013 on pregnancies ending between October 1997 and December 2011. Cases could be live born, stillborn or induced terminations, and were identified from birth defects surveillance programs in Arkansas, California, Georgia, Iowa, Massachusetts, New Jersey, New York, North Carolina, Texas and Utah. Controls were live born infants without major birth defects identified from the same geographical regions and time periods as cases via either vital records or birth hospitals. Computer-assisted telephone interviews were completed with women between 6 weeks and 24 months after the estimated date of delivery. After completion of interviews, families received buccal cell collection kits for the mother, father and infant (if living). Results There were 47,832 eligible cases and 18,272 eligible controls. Among these, 32,187 (67%) and 11,814 (65%) respectively, provided interview information about their pregnancies. Buccal cell collection kits with a cytobrush for at least one family member were returned by 19,065 case and 6,211 control families (65% and 59% of those who were sent a kit). More than 500 projects have been proposed by the collaborators and over 200 manuscripts published using data from the NBDPS through December 2014. Conclusion The NBDPS has made substantial contributions to the field of birth defects epidemiology through its rigorous design, including case classification, detailed questionnaire and specimen collection, large study population, and collaborative activities across Centers. PMID:26033852

The National Birth Defects Prevention Study: A review of the methods.

PubMed

Reefhuis, Jennita; Gilboa, Suzanne M; Anderka, Marlene; Browne, Marilyn L; Feldkamp, Marcia L; Hobbs, Charlotte A; Jenkins, Mary M; Langlois, Peter H; Newsome, Kimberly B; Olshan, Andrew F; Romitti, Paul A; Shapira, Stuart K; Shaw, Gary M; Tinker, Sarah C; Honein, Margaret A

2015-08-01

The National Birth Defects Prevention Study (NBDPS) is a large population-based multicenter case-control study of major birth defects in the United States. Data collection took place from 1998 through 2013 on pregnancies ending between October 1997 and December 2011. Cases could be live born, stillborn, or induced terminations, and were identified from birth defects surveillance programs in Arkansas, California, Georgia, Iowa, Massachusetts, New Jersey, New York, North Carolina, Texas, and Utah. Controls were live born infants without major birth defects identified from the same geographical regions and time periods as cases by means of either vital records or birth hospitals. Computer-assisted telephone interviews were completed with women between 6 weeks and 24 months after the estimated date of delivery. After completion of interviews, families received buccal cell collection kits for the mother, father, and infant (if living). There were 47,832 eligible cases and 18,272 eligible controls. Among these, 32,187 (67%) and 11,814 (65%), respectively, provided interview information about their pregnancies. Buccal cell collection kits with a cytobrush for at least one family member were returned by 19,065 case and 6,211 control families (65% and 59% of those who were sent a kit). More than 500 projects have been proposed by the collaborators and over 200 manuscripts published using data from the NBDPS through December 2014. The NBDPS has made substantial contributions to the field of birth defects epidemiology through its rigorous design, including case classification, detailed questionnaire and specimen collection, large study population, and collaborative activities across Centers. © 2015 Wiley Periodicals, Inc.

Precise design-based defect characterization and root cause analysis

NASA Astrophysics Data System (ADS)

Xie, Qian; Venkatachalam, Panneerselvam; Lee, Julie; Chen, Zhijin; Zafar, Khurram

2017-03-01

As semiconductor manufacturing continues its march towards more advanced technology nodes, it becomes increasingly important to identify and characterize design weak points, which is typically done using a combination of inline inspection data and the physical layout (or design). However, the employed methodologies have been somewhat imprecise, relying greatly on statistical techniques to signal excursions. For example, defect location error that is inherent to inspection tools prevents them from reporting the true locations of defects. Therefore, common operations such as background-based binning that are designed to identify frequently failing patterns cannot reliably identify specific weak patterns. They can only identify an approximate set of possible weak patterns, but within these sets there are many perfectly good patterns. Additionally, characterizing the failure rate of a known weak pattern based on inline inspection data also has a lot of fuzziness due to coordinate uncertainty. SEM (Scanning Electron Microscope) Review attempts to come to the rescue by capturing high resolution images of the regions surrounding the reported defect locations, but SEM images are reviewed by human operators and the weak patterns revealed in those images must be manually identified and classified. Compounding the problem is the fact that a single Review SEM image may contain multiple defective patterns and several of those patterns might not appear defective to the human eye. In this paper we describe a significantly improved methodology that brings advanced computer image processing and design-overlay techniques to better address the challenges posed by today's leading technology nodes. Specifically, new software techniques allow the computer to analyze Review SEM images in detail, to overlay those images with reference design to detect every defect that might be present in all regions of interest within the overlaid reference design (including several classes of defects that human operators will typically miss), to obtain the exact defect location on design, to compare all defective patterns thus detected against a library of known patterns, and to classify all defective patterns as either new or known. By applying the computer to these tasks, we automate the entire process from defective pattern identification to pattern classification with high precision, and we perform this operation en masse during R & D, ramp, and volume production. By adopting the methodology, whenever a specific weak pattern is identified, we are able to run a series of characterization operations to ultimately arrive at the root cause. These characterization operations can include (a) searching all pre-existing Review SEM images for the presence of the specific weak pattern to determine whether there is any spatial (within die or within wafer) or temporal (within any particular date range, before or after a mask revision, etc.) correlation and (b) understanding the failure rate of the specific weak pattern to prioritize the urgency of the problem, (c) comparing the weak pattern against an OPC (Optical Procimity Correction) Verification report or a PWQ (Process Window Qualification)/FEM (Focus Exposure Matrix) result to assess the likelihood of it being a litho-sensitive pattern, etc. After resolving the specific weak pattern, we will categorize it as known pattern, and the engineer will move forward with discovering new weak patterns.

Quasibound states in short SNS junctions with point defects

NASA Astrophysics Data System (ADS)

Bespalov, A. A.

2018-04-01

Using the Green functions technique, we study the subgap spectrum of short three-dimensional superconductor-normal metal-superconductor junctions containing one or two point impurities in the normal layer. We find that a single nonmagnetic or magnetic defect induces two quasibound Shiba-like states. If the defect is located close to the junction edge, the energies of these states oscillate as functions of the distance between the impurity and the edge. In the case of two nonmagnetic impurities, there are generally four quasibound states (two per spin projection). Their energies oscillate as functions of the distance between the impurities, and reach their asymptotic values when this distance becomes much larger than the Fermi wavelength. The contributions of the impurities to the Josephson current, local density of states, and to the normal-state conductance of the junction are analyzed.

Determination of the electron-capture coefficients and the concentration of free electrons in GaN from time-resolved photoluminescence

PubMed Central

Reshchikov, M. A.; McNamara, J. D.; Toporkov, M.; Avrutin, V.; Morkoç, H.; Usikov, A.; Helava, H.; Makarov, Yu.

2016-01-01

Point defects in high-purity GaN layers grown by hydride vapor phase epitaxy are studied by steady-state and time-resolved photoluminescence (PL). The electron-capture coefficients for defects responsible for the dominant defect-related PL bands in this material are found. The capture coefficients for all the defects, except for the green luminescence (GL1) band, are independent of temperature. The electron-capture coefficient for the GL1 band significantly changes with temperature because the GL1 band is caused by an internal transition in the related defect, involving an excited state acting as a giant trap for electrons. By using the determined electron-capture coefficients, the concentration of free electrons can be found at different temperatures by a contactless method. A new classification system is suggested for defect-related PL bands in undoped GaN. PMID:27901025

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

DOE PAGES

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.; ...

2016-10-25

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

Steady state and time resolved optical characterization studies of Zn 2SnO 4 nanowires for solar cell applications

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

Yakami, Baichhabi R.; Poudyal, Uma; Nandyala, Shashank R.

Nanowires are a promising option for sensitized solar cells, sensors, and display technology. Most of the work thus far has focused on binary oxides for these nanowires, but ternary oxides have advantages in additional control of optical and electronic properties. Here, we report on the diffuse reflectance, Low Temperature and Room Temperature Photoluminescence (PL), PL excitation spectrum, and Time Resolved PL (TRPL) of Zinc Tin Oxide (ZTO) nanowires grown by Chemical Vapor Deposition. The PL from the ZTO nanowires does not exhibit any band gap or near gap emission, and the diffuse reflectance measurement confirms that these ZTO nanowires havemore » a direct forbidden transition. The broad PL spectrum reveals two Gaussian peaks centered at 1.86 eV (red) and 2.81 eV (blue), representing two distinct defect states or complexes. The PL spectra were further studied by the Time Resolved Emission Spectrum and intensity dependent PL and TRPL. The time resolved measurements show complex non-exponential decays at all wavelengths, indicative of defect to defect transitions, and the red emissive states decay much slower than the blue emissive states. The effects of annealing in air and vacuum are studied to investigate the origin of the defect states in the nanowires, showing that the blue states are related to oxygen vacancies. We propose an energy band model for the nanowires containing defect states within the band gap and the associated transitions between these states that are consistent with our measurements.« less

BIRTH DEFECTS IN FOUR U.S. WHEAT-PRODUCING STATES

EPA Science Inventory

Birth Defects in Four U.S. Wheat - Producing States
Dina M. Schreinemachers, National Health and Environmental Effects Research Laboratory, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711

Wheat agriculture in Mi...

(3 + 1)-dimensional topological phases and self-dual quantum geometries encoded on Heegaard surfaces

NASA Astrophysics Data System (ADS)

Dittrich, Bianca

2017-05-01

We apply the recently suggested strategy to lift state spaces and operators for (2 + 1)-dimensional topological quantum field theories to state spaces and operators for a (3 + 1)-dimensional TQFT with defects. We start from the (2 + 1)-dimensional TuraevViro theory and obtain a state space, consistent with the state space expected from the Crane-Yetter model with line defects.

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

NASA Astrophysics Data System (ADS)

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

2013-04-01

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

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

DOE PAGES

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

2017-01-01

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

Multiple focused EMAT designs for improved surface breaking defect characterization

NASA Astrophysics Data System (ADS)

Thring, C. B.; Fan, Y.; Edwards, R. S.

2017-02-01

Ultrasonic Rayleigh waves can be employed for the detection of surface breaking defects such as rolling contact fatigue and stress corrosion cracking. Electromagnetic Acoustic Transducers (EMATs) are well suited to this technique as they can directly generate Rayleigh waves within the sample without the requirement for wedges, and they are robust and inexpensive compared to laser ultrasonics. Three different EMAT coil types have been developed, and these are compared to assess their ability to detect and characterize small (down to 0.5 mm depth, 1 mm diameter) surface breaking defects in aluminium. These designs are: a pair of linear meander coils used in a pseudo-pulse-echo mode, a pair of focused meander coils also used in pseudo-pulse-echo mode, and a pair of focused racetrack coils used in pitch-catch mode. The linear meander coils are able to detect most of the defects tested, but have a much lower signal to noise ratio and give limited sizing information. The focused meander coils and the focused racetrack coils can detect all defects tested, but have the advantage that they can also characterize the defect sizes on the sample surface, and have a stronger sensitivity at their focal point. Measurements using all three EMAT designs are presented and compared for high resolution imaging of surface-breaking defects.

Inverse Design: Playing "Jeopardy" in Materials Science (A "Life at the Frontiers of Energy Research" contest entry from the 2011 Energy Frontier Research Centers (EFRCs) Summit and Forum)

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

Zunger, Alex

"Inverse Design: Playing 'Jeopardy' in Materials Science" was submitted by the Center for Inverse Design (CID) to the "Life at the Frontiers of Energy Research" video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. CID, an EFRC directed by Bill Tumas at the National Renewable Energy Laboratory is a partnership of scientists from six institutions: NREL (lead), Northwestern University, University of Colorado, Colorado School of Mines, Stanford University, and Oregon State University. The Office of Basic Energy Sciencesmore » in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges. The mission of the Center for Inverse Design is 'to replace trial-and-error methods used in the development of materials for solar energy conversion with an inverse design approach powered by theory and computation.' Research topics are: solar photovoltaic, photonic, metamaterial, defects, spin dynamics, matter by design, novel materials synthesis, and defect tolerant materials.« less

Defect Dynamics in Artificial Colloidal Ice: Real-Time Observation, Manipulation, and Logic Gate.

PubMed

Loehr, Johannes; Ortiz-Ambriz, Antonio; Tierno, Pietro

2016-10-14

We study the defect dynamics in a colloidal spin ice system realized by filling a square lattice of topographic double well islands with repulsively interacting magnetic colloids. We focus on the contraction of defects in the ground state, and contraction or expansion in a metastable biased state. Combining real-time experiments with simulations, we prove that these defects behave like emergent topological monopoles obeying a Coulomb law with an additional line tension. We further show how to realize a completely resettable "nor" gate, which provides guidelines for fabrication of nanoscale logic devices based on the motion of topological magnetic monopoles.

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

NASA Astrophysics Data System (ADS)

Schultz, Peter

To make reliable first principles predictions of defect energies in semiconductors, it is crucial to discriminate between effective-mass-like defects--for which existing supercell methods fail--and deep defects--for which density functional theory calculations can yield reliable predictions of defect energy levels. The gallium antisite GaAs is often associated with the 78/203 meV shallow double acceptor in Ga-rich gallium arsenide. Within a framework of level occupation patterns, analyses of structure and spin stabilization can be used within a supercell approach to distinguish localized deep defect states from shallow acceptors such as BAs. This systematic analysis determines that the gallium antisite is inconsistent with a shallow state, and cannot be the 78/203 shallow double acceptor. The properties of the Ga antisite in GaAs are described, predicting that the Ga antisite is a deep double acceptor and has two donor states, one of which might be accidentally shallow. -- Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Advanced defect classification by smart sampling, based on sub-wavelength anisotropic scatterometry

NASA Astrophysics Data System (ADS)

van der Walle, Peter; Kramer, Esther; Ebeling, Rob; Spruit, Helma; Alkemade, Paul; Pereira, Silvania; van der Donck, Jacques; Maas, Diederik

2018-03-01

We report on advanced defect classification using TNO's RapidNano particle scanner. RapidNano was originally designed for defect detection on blank substrates. In detection-mode, the RapidNano signal from nine azimuth angles is added for sensitivity. In review-mode signals from individual angles are analyzed to derive additional defect properties. We define the Fourier coefficient parameter space that is useful to study the statistical variation in defect types on a sample. By selecting defects from each defect type for further review by SEM, information on all defects can be obtained efficiently.

Spatial-time-state fusion algorithm for defect detection through eddy current pulsed thermography

NASA Astrophysics Data System (ADS)

Xiao, Xiang; Gao, Bin; Woo, Wai Lok; Tian, Gui Yun; Xiao, Xiao Ting

2018-05-01

Eddy Current Pulsed Thermography (ECPT) has received extensive attention due to its high sensitive of detectability on surface and subsurface cracks. However, it remains as a difficult challenge in unsupervised detection as to identify defects without knowing any prior knowledge. This paper presents a spatial-time-state features fusion algorithm to obtain fully profile of the defects by directional scanning. The proposed method is intended to conduct features extraction by using independent component analysis (ICA) and automatic features selection embedding genetic algorithm. Finally, the optimal feature of each step is fused to obtain defects reconstruction by applying common orthogonal basis extraction (COBE) method. Experiments have been conducted to validate the study and verify the efficacy of the proposed method on blind defect detection.

Effects of external stress field on the charge stability of nitrogen vacancy centers in diamond

NASA Astrophysics Data System (ADS)

Yao, Miao-Miao; Zhu, Tian-Yuan; Shu, Da-Jun

2017-07-01

The interaction of the atom-like defects in semiconductors with external fields provides an avenue to quantum information processing and nanoscale sensors. Meanwhile, external fields may induce instability of the desired charge state of the defects. It is essential to understand how the charge state of a defect is affected by external fields that introduced in diverse applications. In this letter, we explore the stability of the negatively charged state (NV-) and the neutral state (NV0) of the nitrogen vacancy (NV) center in diamond under stress by first-principles calculations. We find that the relative stability of NV- to NV0 is always reduced by the stress if the NV center is free to relax its orientation. Once the NV center has formed and retains its orientation, however, the relative stability of NV- can be always enhanced by compressive stress along its trigonal symmetry axis. We believe that the results are not only significant for control of the charge stability of NV center but also enlightening for applications based on specific charge states of other kinds of defects in the stress field.

Fracture resistance of welded thick-walled high-pressure vessels in power plants. Report No. 2. Approach to evaluating static strength

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

Gorynin, I.V.; Filatov, V.M.; Ignatov, V.A.

1986-07-01

The authors examine data on the effect of defects on the fracture resistance of high-pressure vessels and their models obtained within the framework of the HSST program. Results of internal-pressure tests of two types of vessels with a wall thickness of 152 mm made from forgings of steels SA508 and SA533, as well as small vessels with a wall thickness of 11.5 and 23mm made of steel SA533 are shown. The authors state that testing thick-walled welded high-pressure vessels and thin-walled vessels with surface defects of different sizes has demonstrated that there are substantial static-strength reserves in structures designed bymore » existing domestic and foreign standards on the strength of power-plant equipment. A correction was proposed for the presently used method of calculating the resistance of highpressure vessels to brittle fracture that allows for the dimensions of the defects in relation to the type of vessel, the manufacturing technology, and the method of inspection.« less

Effect of midgap defect states on the optical properties of Ge20Se70Te10 nano colloids

NASA Astrophysics Data System (ADS)

Cheruvalath, Ajina; Sebastian, Indu; Sebastian, Mathew; Nampoori, V. P. N.; Thomas, Sheenu

2017-10-01

In this work, we report the linear and nonlinear optical studies on a pseudo binary chalcogenide glass of composition Ge20 Se70 Te10 in its nano colloidal form. The possibility of tuning the band gap, nonlinear refractive index and nonlinear absorption of the material by changing the glass loading in the colloid has been revealed. A red shift in the band edge along with an intermediate peak in the band tail due to defect states is observed with increasing concentration. Photoluminescence studies confirm the existence of intermediate defect states in the bandgap. Nonlinear properties analyzed with open and closed aperture z scan technique reveal that the nonlinear refraction enhances due to resonant effects as the band gap of the colloid gets near the one photon absorption edge. The nonlinear absorption is prominent in the concentrated sample due to the presence of defect states which acts as an intermediate level in two step photon absorption.

Defect charge states in Si doped hexagonal boron-nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Andrew, R. C.; Chetty, N.

2016-02-01

We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal boron-nitride monolayer. The Si impurity atoms substituting the boron atom sites SiB giving non-stoichiometric complexes are found to be the most energetically favourable, and are half-metallic and order ferromagnetically in the neutral charge state. We find that the magnetic moments and magnetization energies increase monotonically when Si defects form a cluster. Partial density of states and standard Mulliken population analysis indicate that the half-metallic character and magnetic moments mainly arise from the Si 3p impurity states. The stoichiometric Si complexes are energetically unfavorable and non-magnetic. When charging the energetically favourable non-stoichiometric Si complexes, we find that the formation energies strongly depend on the impurity charge states and Fermi level position. We also find that the magnetic moments and orderings are tunable by charge state modulation q  =  -2, -1, 0, +1, +2. The induced half-metallic character is lost (retained) when charging isolated (clustered) Si defect(s). This underlines the potential of a Si doped hexagonal boron-nitride monolayer for novel spin-based applications.

Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

NASA Astrophysics Data System (ADS)

Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-Kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

2015-07-01

Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

Designing an in-situ ultrasonic nondestructive evaluation system for ultrasonic additive manufacturing

NASA Astrophysics Data System (ADS)

Nadimpalli, Venkata K.; Nagy, Peter B.

2018-04-01

Ultrasonic Additive Manufacturing (UAM) is a solid-state layer by layer manufacturing process that utilizes vibration induced plastic deformation to form a metallurgical bond between a thin layer and an existing base structure. Due to the vibration based bonding mechanism, the quality of components at each layer depends on the geometry of the structure. In-situ monitoring during and between UAM manufacturing steps offers the potential for closed-loop control to optimize process parameters and to repair existing defects. One interface that is most prone to delamination is the base/build interface and often UAM component height and quality are limited by failure at the base/build interface. Low manufacturing temperatures and favorable orientation of typical interface defects in UAM make ultrasonic NDE an attractive candidate for online monitoring. Two approaches for in-situ NDE are discussed and the design of the monitoring system optimized so that the quality of UAM components is not affected by the addition of the NDE setup. Preliminary results from in-situ ultrasonic NDE indicate the potential to be utilized for online qualification, closed-loop control and offline certification of UAM components.

Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films.

PubMed

Kim, Tae Heon; Yoon, Jong-Gul; Baek, Seung Hyub; Park, Woong-kyu; Yang, Sang Mo; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Noh, Tae Won

2015-07-01

Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

PubMed Central

Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

2015-01-01

Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields. PMID:26130159

Extended experience and modifications in the design and concepts of the keystone design island flap.

PubMed

Moncrieff, Marc D; Thompson, John F; Stretch, Jonathan R

2010-08-01

This paper describes modifications to the design of the keystone design island flap for the reconstruction of oncological defects. In particular, the paper outlines a spectrum of modifications to the design that permit the design to be tailored to a broad range of reconstructive needs, factoring in the anatomical location of the soft tissue defect and the quality of the integument in that locality. The biomechanics of the flap are also discussed in detail. Copyright 2009. Published by Elsevier Ltd.

Defect detection in slab surface: a novel dual Charge-coupled Device imaging-based fuzzy connectedness strategy.

PubMed

Zhao, Liming; Ouyang, Qi; Chen, Dengfu; Udupa, Jayaram K; Wang, Huiqian; Zeng, Yuebin

2014-11-01

To provide an accurate surface defects inspection system and make the automation of robust image segmentation method a reality in routine production line, a general approach is presented for continuous casting slab (CC-slab) surface defects extraction and delineation. The applicability of the system is not tied to CC-slab exclusively. We combined the line array CCD (Charge-coupled Device) traditional scanning imaging (LS-imaging) and area array CCD laser three-dimensional (3D) scanning imaging (AL-imaging) strategies in designing the system. Its aim is to suppress the respective imaging system's limitations. In the system, the images acquired from the two CCD sensors are carefully aligned in space and in time by maximum mutual information-based full-fledged registration schema. Subsequently, the image information is fused from these two subsystems such as the unbroken 2D information in LS-imaging and 3D depressed information in AL-imaging. Finally, on the basis of the established dual scanning imaging system the region of interest (ROI) localization by seed specification was designed, and the delineation for ROI by iterative relative fuzzy connectedness (IRFC) algorithm was utilized to get a precise inspection result. Our method takes into account the complementary advantages in the two common machine vision (MV) systems and it performs competitively with the state-of-the-art as seen from the comparison of experimental results. For the first time, a joint imaging scanning strategy is proposed for CC-slab surface defect inspection that allows a feasible way of powerful ROI delineation strategies to be applied to the MV inspection field. Multi-ROI delineation by using IRFC in this research field may further improve the results.

OPTOELECTRONIC PROPERTIES AND THE GAP STATE DISTRIBUTION IN a-Si, Ge ALLOYS

NASA Astrophysics Data System (ADS)

Aljishi, S.; Smith, Z. E.; Wagner, S.

In this article we review optical and electronic transport data measured in amorphous silicon-germanium alloys with the goal of identifying the density of states as a function of alloy composition. The results show that while alloying a-Si:H with germanium has little effect on the valence band tail, the conduction band tail density of states is increased dramatically. Defect distributions both above and below midgap are detected and identified with the dangling bond D+/° and D°/- states. The density of deep defects below midgap increases exponentially with germanium content. Above midgap, a large concentration of defects lying between 0.3 and 0.5 eV below the conduction band edge has a strong effect on transient electron transport.

A set-associative, fault-tolerant cache design

NASA Technical Reports Server (NTRS)

Lamet, Dan; Frenzel, James F.

1992-01-01

The design of a defect-tolerant control circuit for a set-associative cache memory is presented. The circuit maintains the stack ordering necessary for implementing the Least Recently Used (LRU) replacement algorithm. A discussion of programming techniques for bypassing defective blocks is included.

A graphical automated detection system to locate hardwood log surface defects using high-resolution three-dimensional laser scan data

Treesearch

Liya Thomas; R. Edward Thomas

2011-01-01

We have developed an automated defect detection system and a state-of-the-art Graphic User Interface (GUI) for hardwood logs. The algorithm identifies defects at least 0.5 inch high and at least 3 inches in diameter on barked hardwood log and stem surfaces. To summarize defect features and to build a knowledge base, hundreds of defects were measured, photographed, and...

Characterization of Point Defects in Lithium Aluminate (LiAlO2) Single Crystals

DTIC Science & Technology

2015-09-17

high-quality neutron detectors since 235U and 239Pu, the two isotopes used to fuel nuclear weapons , both emit neu- trons through spontaneous fission of...dissertation has iden- tified and characterized the major point defects created and induced through x ray and neutron radiation using electron paramagnetic... neutron irradiation is an F+ center; an oxygen vacancy with one trapped electron. This defect has two states, a stable state that survives up to 500 ◦C and

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Usefulness of an Osteotomy Template for Skull Tumorectomy and Simultaneous Skull Reconstruction.

PubMed

Oji, Tomito; Sakamoto, Yoshiaki; Miwa, Tomoru; Nakagawa, Yu; Yoshida, Kazunari; Kishi, Kazuo

2016-09-01

Simultaneous tumor resection and cranioplasty with hydroxyapatite osteosynthesis are sometimes necessary in patients of skull neoplasms or skull-invasive tumors. However, the disadvantage of simultaneous surgery is that mismatches often occur between the skull defect and the hydroxyapatite implant. To solve this problem, the authors developed a customized template for designing the craniotomy line. Before each operation, the craniotomy design was discussed with a neurosurgeon. Based on the discussion, 2 hydroxyapatite implants were customized for each patient on the basis of models prepared using computed tomography data. The first implant was an onlay template for the preoperative cranium, which was customized for designing the osteotomy line. The other implant was used for the skull defect. Using the template, the osteotomy line was drawn along the template edge, osteotomy was performed along this line, and the implant was placed in the skull defect. This technique was performed in 3 patients. No implant or defect trimming was required in any patient, good cosmetic outcomes were noted in all patients, and no complications occurred. Use of predesigned hydroxyapatite templates for craniotomy during simultaneous skull tumor resection and cranioplasty has some clinical advantages: the precise craniotomy line can be designed, the implant and skull defect fit better and show effective osteoconduction, trimming of the implant or defect is minimized, and the operation time is shortened.

"Reading man flap" design for reconstruction of circular infraorbital and malar skin defects.

PubMed

Seyhan, Tamer; Caglar, Baris

2008-11-01

Surgical complications such as lid retraction and ectropion from graft or flap scar contracture make reconstruction of skin defects in the malar and infraorbital regions challenging. A new flap design, the reading man flap, was used to overcome these problems. The Limberg and bilobed flap were compared with the reading man flap. The reading man flap consists mainly of a superiorly based quadrangular flap and an inferiorly based triangular flap. Malar and infraorbital circular skin defects measuring 14 x 14 to 40 x 40 mm were reconstructed with a reading man flap in 13 patients. The defects occurred after basal cell carcinoma in all patients. The Limberg flap, bilobed flap, and reading man flap were planned for same-sized defects on the abdominoplasty resection material. The results were compared in terms of total scar area, scar length, and total healthy skin area discarded. When comparing the 3 flap designs, the reading man flap was the most suitable flap in terms of total scar area and length. The reading man flap can be used to reconstruct malar and infraorbital circular defects with good cosmetic results and without creating any tractional forces to the eyelids.

Photodegradation in silicon

NASA Technical Reports Server (NTRS)

Corbett, J. W.; Jaworowski, A.; Kleinhenz, R. L.; Pierce, C. B.; Wilsey, N. D.

1980-01-01

The state of knowledge concerning the following defects in silicon is briefly surveyed: substitutional impurities; vacancy-related defects; interstitial-related defects; defect pairs. Although a great deal is known, it is argued that not enough is yet known to model radiation damage production in the bulk or in the vicinity of the junction of a solar cell. The results on photon degradation (and enhancement) of solar cells are then reviewed, and it is suggested that defect pairs may be the defects responsible. Mechanisms for photon-induced dissociation of pairs are discussed but a more detailed understanding awaits the identification of the actual defects.

Low Conductivity Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dong-Ming

2005-01-01

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future engine higher fuel efficiency and lower emission goals. In this presentation, thermal barrier coating development considerations and requirements will be discussed. An experimental approach is established to monitor in real time the thermal conductivity of the coating systems subjected to high-heat-flux, steady-state and cyclic temperature gradients. Advanced low conductivity thermal barrier coatings have also been developed using a multi-component defect clustering approach, and shown to have improved thermal stability. The durability and erosion resistance of low conductivity thermal barrier coatings have been improved utilizing advanced coating architecture design, composition optimization, in conjunction with more sophisticated modeling and design tools.

Toward superconducting critical current by design

DOE PAGES

Sadovskyy, Ivan A.; Jia, Ying; Leroux, Maxime; ...

2016-03-31

The interaction of vortex matter with defects in applied superconductors directly determines their current carrying capacity. Defects range from chemically grown nanostructures and crystalline imperfections to the layered structure of the material itself. The vortex-defect interactions are non-additive in general, leading to complex dynamic behavior that has proven difficult to capture in analytical models. With recent rapid progress in computational powers, a new paradigm has emerged that aims at simulation assisted design of defect structures with predictable ‘critical-current-by-design’: analogous to the materials genome concept of predicting stable materials structures of interest. We demonstrate the feasibility of this paradigm by combiningmore » large-scale time-dependent Ginzburg-Landau numerical simulations with experiments on commercial high temperature superconductor (HTS) containing well-controlled correlated defects.« less

Defects in electro-optically active polymer solids

NASA Technical Reports Server (NTRS)

Martin, David C.

1993-01-01

There is considerable current interest in the application of organic and polymeric materials for electronic and photonic devices. The rapid, non-linear optical (NLO) response of these materials makes them attractive candidates for waveguides, interferometers, and frequency doublers. In order to realize the full potential of these systems, it is necessary to develop processing schemes which can fabricate these molecules into ordered arrangements. There is enormous potential for introducing well-defined, local variations in microstructure to control the photonic properties of organic materials by rational 'defect engineering.' This effort may eventually become as technologically important as the manipulation of the electronic structure of solid-state silicon based devices is at present. The success of this endeavor will require complimentary efforts in the synthesis, processing, and characterization of new materials. Detailed information about local microstructure will be necessary to understand the influence of symmetry breaking of the solid phases near point, line, and planar defects. In metallic and inorganic polycrystalline materials, defects play an important role in modifying macroscopic properties. To understand the influence of particular defects on the properties of materials, it has proven useful to isolate the defect by creating bicrystals between two-component single crystals. In this way the geometry of a grain boundary defect and its effect on macroscopic properties can be determined unambiguously. In crystalline polymers it would be valuable to establish a similar depth of understanding about the relationship between defect structure and macroscopic properties. Conventionally processed crystalline polymers have small crystallites (10-20 nm), which implies a large defect density in the solid state. Although this means that defects may play an important or even dominant role in crystalline or liquid crystalline polymer systems, it also makes it difficult to isolate the effect of a particular boundary on a macroscopically observed property. However, the development of solid-state and thin-film polymerization mechanisms have facilitated the synthesis of highly organized and ordered polymers. These systems provide a unique opportunity to isolate and investigate in detail the structure of covalently bonded solids near defects and the effect of these defects on the properties of the material. The study of defects in solid polymers has been the subject of a recent review (Martin, 1993).

Julius Edgar Lilienfeld Prize Talk: Quantum spintronics: abandoning perfection for new technologies

NASA Astrophysics Data System (ADS)

Awschalom, David D.

2015-03-01

There is a growing interest in exploiting the quantum properties of electronic and nuclear spins for the manipulation and storage of information in the solid state. Such schemes offer qualitatively new scientific and technological opportunities by leveraging elements of standard electronics to precisely control coherent interactions between electrons, nuclei, and electromagnetic fields. We provide an overview of the field, including a discussion of temporally- and spatially-resolved magneto-optical measurements designed for probing local moment dynamics in electrically and magnetically doped semiconductor nanostructures. These early studies provided a surprising proof-of-concept that quantum spin states can be created and controlled with high-speed optoelectronic techniques. However, as electronic structures approach the atomic scale, small amounts of disorder begin to have outsized negative effects. An intriguing solution to this conundrum is emerging from recent efforts to embrace semiconductor defects themselves as a route towards quantum machines. Individual defects in carbon-based materials possess an electronic spin state that can be employed as a solid state quantum bit at and above room temperature. Developments at the frontier of this field include gigahertz coherent control, nanofabricated spin arrays, nuclear spin quantum memories, and nanometer-scale sensing. We will describe advances towards quantum information processing driven by both physics and materials science to explore electronic, photonic, and magnetic control of spin. Work supported by the AFOSR, ARO, DARPA, NSF, and ONR.

Near Infrared Emission from Defects in Few-Layer Phosphorene

NASA Astrophysics Data System (ADS)

Aghaeimeibodi, Shahriar; Kim, Je-Hyung; Waks, Edo

Atomically thin films of black phosphorus have recently received significant attention as low dimensional optical materials with a direct exciton emission whose wavelength is tunable by controlling the number of layers. In addition to this excitonic emission, recent work has revealed emission from defect states and reported new methods to manipulate them. Monolayer phosphorene exhibits emission from localized defect states at wavelengths near 920 nm. Increasing the number of layers should shift defect emission to longer wavelengths, enabling the material to span a broader spectral range. But defect emission from few-layer phosphorene has not yet been reported. Here, we demonstrate a new class of near infrared defects in few layer phosphorene. Photoluminescence measurement shows a bright emission around 1240 nm with a sublinear growth of emission intensity with linear increase of excitation intensity, confirming the defect nature of this emission. From time-resolved lifetime measurements we determine an emission lifetime of 1.2 ns, in contrast to exciton and trion lifetimes from few layer phosphorene previously reported to be in the range of a few hundred picoseconds. This work highlights the potential of bright defects of phosphorene for near infrared optoelectronic applications.

Suppression of compensating native defect formation during semiconductor processing via excess carriers

NASA Astrophysics Data System (ADS)

Alberi, K.; Scarpulla, M. A.

2016-06-01

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-state excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. This effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.

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

Szlufarska, Izabela; Voyles, Paul; Sridharan, Kumar

Silicon carbide is a promising cladding material because of its high strength and relatively good corrosion resistance. However, SiC is brittle and therefore SiC-based components need to be carefully designed to avoid cracking and failure by fracture. In design of SiC-based composites for nuclear reactor applications it is essential to take into account how mechanical properties are affected by radiation and temperature, or in other words, what strains and stresses develop in this material due to environmental conditions. While thermal strains in SiC can be predicted using classical theories, radiation-induced strains are much less understood. In particular, it is criticalmore » to correctly account for radiation swelling and radiation creep, which contribute significantly to dimensional instability of SiC under radiation. Swelling typically increases logarithmically with radiation dose and saturates at relatively low doses (damage levels of a few dpa). Consequently, swelling-induced stresses are likely to develop within a few months of operation of a reactor. Radiation-induced volume swelling in SiC can be as high as 2%, which is significantly higher than the cracking strain of 0.1% in SiC. Swelling-induced strains will lead to enormous stresses and fracture, unless these stresses can be relaxed via some other mechanism. An effective way to achieve stress relaxation is via radiation creep. Although it has been hypothesized that both radiation swelling and radiation creep are driven by formation of defect clusters, existing models for swelling and creep in SiC are limited by the lack of understanding of specific defects that form due to radiation in the range of temperatures relevant to fuel cladding in light water reactors (LWRs) (<1000°C). For example, defects that can be detected with traditional transmission electron microscopy (TEM) techniques account only for 10-45% of the swelling measured in irradiated SiC. Here, we have undertaken an integrated experimental and modeling effort to discover the previously invisible defects in irradiated SiC and to determine the contributions of these defects to radiation swelling. Knowledge of the most stable defect structures and the rate controlling processes during defect evolution is essential for development of predictive models for swelling and creep as a function of temperature and radiation dose. This research has been enabled by state-of-the-art imaging techniques, such as the aberration corrected scanning transmission electron microscopy (STEM) (FEI TITAN) closely coupled with multi-scale models of stable defect clusters and their evolution.« less

Colour-causing defects and their related optoelectronic transitions in single crystal CVD diamond.

PubMed

Khan, R U A; Cann, B L; Martineau, P M; Samartseva, J; Freeth, J J P; Sibley, S J; Hartland, C B; Newton, M E; Dhillon, H K; Twitchen, D J

2013-07-10

Defects causing colour in nitrogen-doped chemical vapour-deposited (CVD) diamond can adversely affect the exceptional optical, electronic and spintronic properties of the material. Several techniques were used to study these defects, namely optical absorption spectroscopy, thermoluminescence (TL) and electron paramagnetic resonance (EPR). From our studies, the defects causing colour in nitrogen-doped CVD diamond are clearly not the same as those causing similar colour in natural diamonds. The brown colour arises due to a featureless absorption profile that decreases in intensity with increasing wavelength, and a broad feature at 360 nm (3.49 eV) that scales in intensity with it. Another prominent absorption band, centred at 520 nm (2.39 eV), is ascribed to the neutral nitrogen-vacancy-hydrogen defect. The defects responsible for the brown colour possess acceptor states that are 1.5 eV from the valence band (VB) edge. The brown colour is removed by heat treatment at 1600 ° C, whereupon new defects possessing shallow (<1 eV) trap states are generated.

Defect Tolerant Semiconductors for Solar Energy Conversion.

PubMed

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

2014-04-03

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

Intrinsic electronic defects and multiple-atom processes in the oxidic semiconductor Ga2O3

NASA Astrophysics Data System (ADS)

Schmeißer, Dieter; Henkel, Karsten

2018-04-01

We report on the electronic structure of gallium oxide (Ga2O3) single crystals as studied by resonant photoelectron spectroscopy (resPES). We identify intrinsic electronic defects that are formed by mixed-atomic valence states. We differentiate three coexisting defect states that differ in their electronic correlation energy and their spatial localization lengths. Their relative abundance is described by a fractional ionicity with covalent and ionic bonding contributions. For Ga2O3, our analyses of the resPES data enable us to derive two main aspects: first, experimental access is given to determine the ionicity based on the original concepts of Pauling and Phillips. Second, we report on multi-atomic energy loss processes in the Ga2p core level and X-ray absorption data. The two experimental findings can be explained consistently in the same context of mixed-atomic valence states and intrinsic electronic defects.

Unified computational model of transport in metal-insulating oxide-metal systems

NASA Astrophysics Data System (ADS)

Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

2018-04-01

A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

Regional differences in right versus left congenital heart disease diagnoses in neonates in the United States.

PubMed

Nelson, Jennifer S; Strassle, Paula D

2018-03-01

Differences in the prevalence of left and right congenital heart defects (CHD) across the United States are unclear. This study evaluated the overall prevalence and the distribution of right versus left CHD across US regions and divisions in neonates. Newborns born from 2000 to 2014 diagnosed with CHD were identified using the National Inpatient Sample. Heart defects were stratified into right, left, and "neither" subtypes. The risk of right and left heart diagnoses between US Census regions and divisions was compared using multivariable binomial regression, adjusting for infant, and hospital characteristics. Two hundred forty thousand four hundred fifty-five newborns were included and 38,185 (15.9%) were classifiable as having either right or left subtypes. Between 2000 and 2014, the prevalence of right defects increased from 1.65 to 2.88 cases/1,000 live born infants (p < .0001), left defects increased from 0.47 to 0.75 cases/1,000 live born infants (p < .0001), and "neither" defects increased from 10.82 to 20.09 cases/1,000 live born infants (p < .0001). Newborns in the Northeast (RD adj .03, 95% CI .02, .03), Midwest (RD adj .02, 95% CI .02, .03), and South (RD adj .02, 95% CI .02, .02) were significantly more likely to have a right heart defect diagnosis compared to the West. When stratified by division, New England states had a significantly higher prevalence of right defects compared to the Pacific (RD adj .09, 95% CI .06, 0.11). No differences in the prevalence of left defects were seen. The prevalence of CHD diagnoses at birth in the US has increased, and regional differences in the prevalence of right defects appear to exist. © 2017 Wiley Periodicals, Inc.

7 CFR 51.3150 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 12 percent for nectarines... which are affected by decay. (2) For defects en route or at destination. 12 percent for nectarines which...

7 CFR 51.3150 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 12 percent for nectarines... which are affected by decay. (2) For defects en route or at destination. 12 percent for nectarines which...

47 CFR 14.46 - Formal complaints not stating a cause of action; defective pleadings.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 1 2014-10-01 2014-10-01 false Formal complaints not stating a cause of action; defective pleadings. 14.46 Section 14.46 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL ACCESS TO ADVANCED COMMUNICATIONS SERVICES AND EQUIPMENT BY PEOPLE WITH DISABILITIES Recordkeeping, Consumer...

47 CFR 14.46 - Formal complaints not stating a cause of action; defective pleadings.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 1 2013-10-01 2013-10-01 false Formal complaints not stating a cause of action; defective pleadings. 14.46 Section 14.46 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL ACCESS TO ADVANCED COMMUNICATIONS SERVICES AND EQUIPMENT BY PEOPLE WITH DISABILITIES Recordkeeping, Consumer...

47 CFR 14.46 - Formal complaints not stating a cause of action; defective pleadings.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 1 2012-10-01 2012-10-01 false Formal complaints not stating a cause of action; defective pleadings. 14.46 Section 14.46 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL ACCESS TO ADVANCED COMMUNICATIONS SERVICES AND EQUIPMENT BY PEOPLE WITH DISABILITIES Recordkeeping, Consumer...

Influence of Nb addition on vacancy defects and magnetic properties of the nanocrystalline Nd-Fe-B permanent magnets

NASA Astrophysics Data System (ADS)

Szwaja, Małgorzata; Gębara, Piotr; Filipecki, Jacek; Pawlik, Katarzyna; Przybył, Anna; Pawlik, Piotr; Wysłocki, Jerzy J.; Filipecka, Katarzyna

2015-05-01

In present work, influence of Nb addition on vacancy defects and magnetic properties of nanocrystalline Nd-Fe-B permanent magnets, was investigated. Samples with composition (Nd,Fe,B)100-xNbx (where x=6,7,8) were studied in as-cast state and after annealing. Samples were prepared by arc-melting with high purity of constituent elements under Ar atmosphere. Ribbons were obtained by melt-spinning technique under low pressure of Ar. Ribbon samples in as-cast state had amorphous structure and soft magnetic properties. Positron annihilation lifetime spectroscopy PALS has been applied to detection of positron - trapping voids (vacancy defects). With increase of Nb in alloy increasing of vacancy defects concentration was observed. Heat treatment of the samples was carried out at various temperatures (from 923 K to 1023 K) for 5 min, in order to obtain nanocrystalline structure. The aim of present work was to determine the influence of Nb addition and annealing conditions on the vacancy defects and magnetic properties of the Nd-Fe-B- type alloys in as-cast state and after heat treatment.

[Research and application of computer-aided technology in restoration of maxillary defect].

PubMed

Cheng, Xiaosheng; Liao, Wenhe; Hu, Qingang; Wang, Qian; Dai, Ning

2008-08-01

This paper presents a new method of designing restoration model of maxillectomy defect through Computer aided technology. Firstly, 3D maxillectomy triangle mesh model is constructed from Helical CT data. Secondly, the triangle mesh model is transformed into initial computer-aided design (CAD) model of maxillectomy through reverse engineering software. Thirdly, the 3D virtual restoration model of maxillary defect is obtained after designing and adjusting the initial CAD model through CAD software according to the patient's practical condition. Therefore, the 3D virtual restoration can be fitted very well with the broken part of maxilla. The exported design data can be manufactured using rapid prototyping technology and foundry technology. Finally, the result proved that this method is effective and feasible.

Association Between Infant Mortality Attributable to Birth Defects and Payment Source for Delivery - United States, 2011-2013.

PubMed

Almli, Lynn M; Alter, Caroline C; Russell, Rebecca B; Tinker, Sarah C; Howards, Penelope P; Cragan, Janet; Petersen, Emily; Carrino, Gerard E; Reefhuis, Jennita

2017-01-27

Birth defects are a leading cause of infant mortality in the United States (1), accounting for approximately 20% of infant deaths. The rate of infant mortality attributable to birth defects (IMBD) in the United States in 2014 was 11.9 per 10,000 live births (1). Rates of IMBD differ by race/ethnicity (2), age group at death (2), and gestational age at birth (3). Insurance type is associated with survival among infants with congenital heart defects (CHD) (4). In 2003, a checkbox indicating principal payment source for delivery was added to the U.S. standard birth certificate (5). To assess IMBD by payment source for delivery, CDC analyzed linked U.S. birth/infant death data for 2011-2013 from states that adopted the 2003 revision of the birth certificate. The results indicated that IMBD rates for preterm (<37 weeks of gestation) and term (≥37 weeks) infants whose deliveries were covered by Medicaid were higher during the neonatal (<28 days) and postneonatal (≥28 days to <1 year) periods compared with infants whose deliveries were covered by private insurance. Similar differences in postneonatal mortality were observed for the three most common categories of birth defects listed as a cause of death: central nervous system (CNS) defects, CHD, and chromosomal abnormalities. Strategies to ensure quality of care and access to care might reduce the difference between deliveries covered by Medicaid and those covered by private insurance.

Lithography-based automation in the design of program defect masks

NASA Astrophysics Data System (ADS)

Vakanas, George P.; Munir, Saghir; Tejnil, Edita; Bald, Daniel J.; Nagpal, Rajesh

2004-05-01

In this work, we are reporting on a lithography-based methodology and automation in the design of Program Defect masks (PDM"s). Leading edge technology masks have ever-shrinking primary features and more pronounced model-based secondary features such as optical proximity corrections (OPC), sub-resolution assist features (SRAF"s) and phase-shifted mask (PSM) structures. In order to define defect disposition specifications for critical layers of a technology node, experience alone in deciding worst-case scenarios for the placement of program defects is necessary but may not be sufficient. MEEF calculations initiated from layout pattern data and their integration in a PDM layout flow provide a natural approach for improvements, relevance and accuracy in the placement of programmed defects. This methodology provides closed-loop feedback between layout and hard defect disposition specifications, thereby minimizing engineering test restarts, improving quality and reducing cost of high-end masks. Apart from SEMI and industry standards, best-known methods (BKM"s) in integrated lithographically-based layout methodologies and automation specific to PDM"s are scarce. The contribution of this paper lies in the implementation of Design-For-Test (DFT) principles to a synergistic interaction of CAD Layout and Aerial Image Simulator to drive layout improvements, highlight layout-to-fracture interactions and output accurate program defect placement coordinates to be used by tools in the mask shop.

Advancements in silicon web technology

NASA Technical Reports Server (NTRS)

Hopkins, R. H.; Easoz, J.; Mchugh, J. P.; Piotrowski, P.; Hundal, R.

1987-01-01

Low defect density silicon web crystals up to 7 cm wide are produced from systems whose thermal environments are designed for low stress conditions using computer techniques. During growth, the average silicon melt temperature, the lateral melt temperature distribution, and the melt level are each controlled by digital closed loop systems to maintain thermal steady state and to minimize the labor content of the process. Web solar cell efficiencies of 17.2 pct AM1 have been obtained in the laboratory while 15 pct efficiencies are common in pilot production.

Defect states and charge transport in quantum dot solids

DOE PAGES

Brawand, Nicholas P.; Goldey, Matthew B.; Vörös, Márton; ...

2017-01-16

Defects at the surface of semiconductor quantum dots (QDs) give rise to electronic states within the gap, which are detrimental to charge transport properties of QD devices. We investigated charge transport in silicon quantum dots with deep and shallow defect levels, using ab initio calculations and constrained density functional theory. We found that shallow defects may be more detrimental to charge transport than deep ones, with associated transfer rates differing by up to 5 orders of magnitude for the small dots (1-2 nm) considered here. Hence, our results indicate that the common assumption, that the ability of defects to trapmore » charges is determined by their position in the energy gap of the QD, is too simplistic, and our findings call for a reassessment of the role played by shallow defects in QD devices. Altogether, our results highlight the key importance of taking into account the atomistic structural properties of QD surfaces when investigating transport properties.« less

Investigation of Defect Distributions in SiO2/AlGaN/GaN High-Electron-Mobility Transistors by Using Capacitance-Voltage Measurement with Resonant Optical Excitation

NASA Astrophysics Data System (ADS)

Kim, Tae-Soo; Lim, Seung-Young; Park, Yong-Keun; Jung, Gunwoo; Song, Jung-Hoon; Cha, Ho-Young; Han, Sang-Woo

2018-06-01

We investigated the distributions and the energy levels of defects in SiO2/AlGaN/GaN highelectron-mobility transistors (HEMTs) by using frequency-dependent ( F- D) capacitance-voltage ( C- V) measurements with resonant optical excitation. A Schottky barrier (SB) and a metal-oxidesemiconductor (MOS) HEMT were prepared to compare the effects of defects in their respective layers. We also investigated the effects of those layers on the threshold voltage ( V th ). A drastic voltage shift in the C- V curve at higher frequencies was caused by the large number of defect levels in the SiO2/GaN interface. A significant shift in V th with additional light illumination was observed due to a charging of the defect states in the SiO2/GaN interface. The voltage shifts were attributed to the detrapping of defect states at the SiO2/GaN interface.

Detection of critical congenital heart defects: Review of contributions from prenatal and newborn screening

PubMed Central

Olney, Richard S.; Ailes, Elizabeth C.; Sontag, Marci K.

2015-01-01

In 2011, statewide newborn screening programs for critical congenital heart defects began in the United States, and subsequently screening has been implemented widely. In this review, we focus on data reports and collection efforts related to both prenatal diagnosis and newborn screening. Defect-specific, maternal, and geographic factors are associated with variations in prenatal detection, so newborn screening provides a population-wide safety net for early diagnosis. A new web-based repository is collecting information on newborn screening program policies, quality indicators related to screening programs, and specific case-level data on infants with these defects. Birth defects surveillance programs also collect data about critical congenital heart defects, particularly related to diagnostic timing, mortality, and services. Individuals from state programs, federal agencies, and national organizations will be interested in these data to further refine algorithms for screening in normal newborn nurseries, neonatal intensive care settings, and other special populations; and ultimately to evaluate the impact of screening on outcomes. PMID:25979782

Detection of critical congenital heart defects: Review of contributions from prenatal and newborn screening.

PubMed

Olney, Richard S; Ailes, Elizabeth C; Sontag, Marci K

2015-04-01

In 2011, statewide newborn screening programs for critical congenital heart defects began in the United States, and subsequently screening has been implemented widely. In this review, we focus on data reports and collection efforts related to both prenatal diagnosis and newborn screening. Defect-specific, maternal, and geographic factors are associated with variations in prenatal detection, so newborn screening provides a population-wide safety net for early diagnosis. A new web-based repository is collecting information on newborn screening program policies, quality indicators related to screening programs, and specific case-level data on infants with these defects. Birth defects surveillance programs also collect data about critical congenital heart defects, particularly related to diagnostic timing, mortality, and services. Individuals from state programs, federal agencies, and national organizations will be interested in these data to further refine algorithms for screening in normal newborn nurseries, neonatal intensive care settings, and other special populations; and ultimately to evaluate the impact of screening on outcomes. Published by Elsevier Inc.

Intrinsic Defect Ferromagnetism: The case of Hafnium Oxide

NASA Astrophysics Data System (ADS)

Das Pemmaraju, Chaitanya

2005-03-01

In view of the recent experimental reports of intrinsic ferromagnetism in Hafnium Oxide (HfO2) thin film systems ootnotetextM. Venkatesan, C. B. Fitzgerald, J. M. D. Coey Nature 430, 630 (2004) Brief Communications, we carried out first principles investigations to look for magnetic structure in HfO2 possibly brought about by the presence of small concentrations of intrinsic point defects. Ab initio electronic structure calculations using Density Functional Theory (DFT) show that isolated cation vacancy sites in HfO2 lead to the formation of high spin defect states which couple ferromagnetically to each other. Interestingly, these high spin states are observed in the low symmetry monoclinic and tetragonal phases while the highly symmetric cubic flourite phase exhibits a non-magnetic ground state. Detailed studies of the electronic structure of cation vacancies in the three crystalline phases of Hafnia show that symmetry leading to orbitally degenerate defect levels is not a pre-requsite for ferromagnetism and that the interplay between Kinetic, Coulomb and Exchange energy together with favourable coupling to the Crystalline environment can lead to high spin ferromagnetic ground states even in extreme low symmetry systems like monoclinic HfO2. These findings open up a much wider class of systems to the possibility of intrinsic defect ferromagnetism.

Control of spin defects in wide-bandgap semiconductors for quantum technologies

DOE PAGES

Heremans, F. Joseph; Yale, Christopher G.; Awschalom, David D.

2016-05-24

Deep-level defects are usually considered undesirable in semiconductors as they typically interfere with the performance of present-day electronic and optoelectronic devices. However, the electronic spin states of certain atomic-scale defects have recently been shown to be promising quantum bits for quantum information processing as well as exquisite nanoscale sensors due to their local environmental sensitivity. In this review, we will discuss recent advances in quantum control protocols of several of these spin defects, the negatively charged nitrogen-vacancy (NV -) center in diamond and a variety of forms of the neutral divacancy (VV 0) complex in silicon carbide (SiC). These defectsmore » exhibit a spin-triplet ground state that can be controlled through a variety of techniques, several of which allow for room temperature operation. Microwave control has enabled sophisticated decoupling schemes to extend coherence times as well as nanoscale sensing of temperature along with magnetic and electric fields. On the other hand, photonic control of these spin states has provided initial steps toward integration into quantum networks, including entanglement, quantum state teleportation, and all-optical control. Electrical and mechanical control also suggest pathways to develop quantum transducers and quantum hybrid systems. In conclusion, the versatility of the control mechanisms demonstrated should facilitate the development of quantum technologies based on these spin defects.« less

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Resistive switching near electrode interfaces: Estimations by a current model

NASA Astrophysics Data System (ADS)

Schroeder, Herbert; Zurhelle, Alexander; Stemmer, Stefanie; Marchewka, Astrid; Waser, Rainer

2013-02-01

The growing resistive switching database is accompanied by many detailed mechanisms which often are pure hypotheses. Some of these suggested models can be verified by checking their predictions with the benchmarks of future memory cells. The valence change memory model assumes that the different resistances in ON and OFF states are made by changing the defect density profiles in a sheet near one working electrode during switching. The resulting different READ current densities in ON and OFF states were calculated by using an appropriate simulation model with variation of several important defect and material parameters of the metal/insulator (oxide)/metal thin film stack such as defect density and its profile change in density and thickness, height of the interface barrier, dielectric permittivity, applied voltage. The results were compared to the benchmarks and some memory windows of the varied parameters can be defined: The required ON state READ current density of 105 A/cm2 can only be achieved for barriers smaller than 0.7 eV and defect densities larger than 3 × 1020 cm-3. The required current ratio between ON and OFF states of at least 10 requests defect density reduction of approximately an order of magnitude in a sheet of several nanometers near the working electrode.

Virtual transplantation in designing a facial prosthesis for extensive maxillofacial defects that cross the facial midline using computer-assisted technology.

PubMed

Feng, Zhi-hong; Dong, Yan; Bai, Shi-zhu; Wu, Guo-feng; Bi, Yun-peng; Wang, Bo; Zhao, Yi-min

2010-01-01

The aim of this article was to demonstrate a novel approach to designing facial prostheses using the transplantation concept and computer-assisted technology for extensive, large, maxillofacial defects that cross the facial midline. The three-dimensional (3D) facial surface images of a patient and his relative were reconstructed using data obtained through optical scanning. Based on these images, the corresponding portion of the relative's face was transplanted to the patient's where the defect was located, which could not be rehabilitated using mirror projection, to design the virtual facial prosthesis without the eye. A 3D model of an artificial eye that mimicked the patient's remaining one was developed, transplanted, and fit onto the virtual prosthesis. A personalized retention structure for the artificial eye was designed on the virtual facial prosthesis. The wax prosthesis was manufactured through rapid prototyping, and the definitive silicone prosthesis was completed. The size, shape, and cosmetic appearance of the prosthesis were satisfactory and matched the defect area well. The patient's facial appearance was recovered perfectly with the prosthesis, as determined through clinical evaluation. The optical 3D imaging and computer-aided design/computer-assisted manufacturing system used in this study can design and fabricate facial prostheses more precisely than conventional manual sculpturing techniques. The discomfort generally associated with such conventional methods was decreased greatly. The virtual transplantation used to design the facial prosthesis for the maxillofacial defect, which crossed the facial midline, and the development of the retention structure for the eye were both feasible.

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Charge compensation mechanisms in favor of the incorporation of the Eu3+ ion into the ZnO host lattice

NASA Astrophysics Data System (ADS)

Baira, M.; Bekhti-Siad, A.; Hebali, K.; Bouhani-Benziane, H.; Sahnoun, M.

2018-05-01

Eu3+ doped phosphors with charge compensation are potential candidates of red emitting phosphors for lamp applications. Charge compensation improves the luminescence performance of the material. The charge compensation can most probably be achieved by three possible mechanisms: (a) two Zn2+ ions are replaced by one Eu3+ ions and one monovalent cation, 2Zn2+ →Eu3++ Li+, where Li+ is acting as a charge compensator; (b) the charge compensation is provided by a zinc vacancy (VZn) defects, 3Zn2+ → 2Eu3++ VZn, the subscript Zn denotes an ion in a normal zinc site in the lattice; (c) two Zn2+ ions are replaced by one Eu3+ ions with the presence of interstitial oxygen (Oi), 2Zn2+ → 2Eu3++ Oi. Electronic structures of the crystals corresponding to the three models are evaluated by the first-principles quantum mechanical calculations based on the density functional theory. It is found that the charge compensator defects make Eu3+ doping in ZnO energetically more favorable. They break the local symmetry around the Eu3+ ion and lead to deep states below the empty upper band, the conduction band that could facilitate intra-4f shell transitions, which can obviously improve the emission intensity of Eu3+-doped ZnO. Therefore, the effect of these defects on the host crystals electronic band states relative to the Eu3+ states is reported, since both electron transfer and electronically energy transfer processes enhance the performance of optoelectronic devices based on this material. These theoretical insights are helpful for designing rare-earth doped oxide materials with high photoluminescence (PL) performance.

Structural design of graphene for use in electrochemical energy storage devices.

PubMed

Chen, Kunfeng; Song, Shuyan; Liu, Fei; Xue, Dongfeng

2015-10-07

There are many practical challenges in the use of graphene materials as active components in electrochemical energy storage devices. Graphene has a much lower capacitance than the theoretical capacitance of 550 F g(-1) for supercapacitors and 744 mA h g(-1) for lithium ion batteries. The macroporous nature of graphene limits its volumetric energy density and the low packing density of graphene-based electrodes prevents its use in commercial applications. Increases in the capacity, energy density and power density of electroactive graphene materials are strongly dependent on their microstructural properties, such as the number of defects, stacking, the use of composite materials, conductivity, the specific surface area and the packing density. The structural design of graphene electrode materials is achieved via six main strategies: the design of non-stacking and three-dimensional graphene; the synthesis of highly packed graphene; the production of graphene with a high specific surface area and high conductivity; the control of defects; functionalization with O, N, B or P heteroatoms; and the formation of graphene composites. These methodologies of structural design are needed for fast electrical charge storage/transfer and the transport of electrolyte ions (Li(+), H(+), K(+), Na(+)) in graphene electrodes. We critically review state-of-the-art progress in the optimization of the electrochemical performance of graphene-based electrode materials. The structure of graphene needs to be designed to develop novel electrochemical energy storage devices that approach the theoretical charge limit of graphene and to deliver electrical energy rapidly and efficiently.

Model business intelligence system design of quality products by using data mining in R Bakery Company

NASA Astrophysics Data System (ADS)

Fitriana, R.; Saragih, J.; Luthfiana, N.

2017-12-01

R Bakery company is a company that produces bread every day. Products that produced in that company have many different types of bread. Products are made in the form of sweet bread and wheat bread which have different tastes for every types of bread. During the making process, there were defects in the products which the defective product turns into reject product. Types of defects that are produced include burnt, sodden bread and shapeless bread. To find out the information about the defects that have been produced then by applying a designed model business intelligence system to create database and data warehouse. By using model business Intelligence system, it will generate useful information such as how many defect that produced by each of the bakery products. To make it easier to obtain such information, it can be done by using data mining method which data that we get is deep explored. The method of data mining is using k-means clustering method. The results of this intelligence business model system are cluster 1 with little amount of defect, cluster 2 with medium amount of defect and cluster 3 with high amount of defect. From OLAP Cube method can be seen that the defect generated during the 7 months period of 96,744 pieces.

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

NASA Astrophysics Data System (ADS)

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

2018-04-01

We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the R1 -xCaxVO3 perovskites, where R = La, ⋯, Lu. A fundamental characteristic of these vanadium d2 compounds with partly filled t2 g valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-Tc cuprates at low defect concentration. We study the disordered electronic structure of such doped Mott-Hubbard insulators within the unrestricted Hartree-Fock approximation and, as a result, manage to explain the spectral features that occur in photoemission and inverse photoemission. In particular, (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are qualitatively well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect-states gap, which separates the highest occupied from the lowest unoccupied states, can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. These parameters provide a criterion and a comprehensive schematization for the insulator-metal transition in disordered systems. Our results provide clear indications that doped holes are bound to charged defects and form small spin-orbital polarons whose internal kinetic energy is responsible for the opening of the soft defect-states gap. We show that this kinetic gap survives disorder fluctuations of defects and is amplified by the long-range electron-electron interactions, whereas we observe a Coulomb singularity in the atomic limit. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio and by means of a complementary many-body polaron theory, which yields a similar robust spin and orbital order as the Hartree-Fock approximation. Using realistic parameters for the vanadium perovskite La1 -xCaxVO3 , we show that its soft gap is reproduced as well as the marginal doping dependence of the position of the chemical potential relative to the center of the lower Hubbard band. The present theory uncovers also the reasons why the d1→d0 satellite excitations, which directly probe the effect of the random defect fields on the polaron state, are not well resolved in the available experimental photoemission spectra for La1 -xCaxVO3 .

The correlation between radiative surface defect states and high color rendering index from ZnO nanotubes

PubMed Central

2011-01-01

Combined surface, structural and opto-electrical investigations are drawn from the chemically fashioned ZnO nanotubes and its heterostructure with p-GaN film. A strong correlation has been found between the formation of radiative surface defect states in the nanotubes and the pure cool white light possessing averaged eight color rendering index value of 96 with appropriate color temperature. Highly important deep-red color index value has been realized > 95 which has the capability to render and reproduce natural and vivid colors accurately. Diverse types of deep defect states and their relative contribution to the corresponding wavelengths in the broad emission band is suggested. PMID:21878100

Measuring multielectron beam imaging fidelity with a signal-to-noise ratio analysis

NASA Astrophysics Data System (ADS)

Mukhtar, Maseeh; Bunday, Benjamin D.; Quoi, Kathy; Malloy, Matt; Thiel, Brad

2016-07-01

Java Monte Carlo Simulator for Secondary Electrons (JMONSEL) simulations are used to generate expected imaging responses of chosen test cases of patterns and defects with the ability to vary parameters for beam energy, spot size, pixel size, and/or defect material and form factor. The patterns are representative of the design rules for an aggressively scaled FinFET-type design. With these simulated images and resulting shot noise, a signal-to-noise framework is developed, which relates to defect detection probabilities. Additionally, with this infrastructure, the effect of detection chain noise and frequency-dependent system response can be made, allowing for targeting of best recipe parameters for multielectron beam inspection validation experiments. Ultimately, these results should lead to insights into how such parameters will impact tool design, including necessary doses for defect detection and estimations of scanning speeds for achieving high throughput for high-volume manufacturing.

Factors associated with birth defects in the region of Corpus Christi, Texas

EPA Science Inventory

In recent years, the Birth Defects Epidemiology & Surveillance Branch of the Texas Department of State Health Services (DSHS) has documented a high prevalence of certain birth defects in the Corpus Christi, TX region. We conducted a case-control study to evaluate associations...

47 CFR 2.937 - Equipment defect and/or design change.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 1 2012-10-01 2012-10-01 false Equipment defect and/or design change. 2.937 Section 2.937 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An Equipment Authorization § 2.937...

European Software Engineering Process Group Conference (2nd Annual), EUROPEAN SEPG󈨥. Delegate Material, Conference

DTIC Science & Technology

1997-06-19

states, and six of the top ten suppliers of software with the lowest defect levels are also EU member states Kerry Hanson, Director TI ex White House OST...6,M 0"M *" changes Defects reported by customers STeraQuest S ofOR Wednsday 18 Jlue (C303) 5-3 lE’s IDEAL Model organizational analyze lss.ons exeute...Indicator used to track non discretionary maintenance, enhancements, and defect corrections as well as the number of open trouble reports. 17 *Enterprise

Damage Tolerance of Large Shell Structures

NASA Technical Reports Server (NTRS)

Minnetyan, L.; Chamis, C. C.

1999-01-01

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

Crooked Calf Syndrome: Managing Lupines on Rangelands of the Channel Scablands of East-Central Washington State

USDA-ARS?s Scientific Manuscript database

“Crooked calf syndrome”, the contracture-type skeletal defects and cleft palate caused by velvet lupine (Lupinus leucophyllus) on the channel Scablands of east-central Washington State are the same as those defects induced by Conium maculatum (poison-hemlock) and Nicotiana spp. (wild tobacco) in rum...

7 CFR 51.1151 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to... percent shall be for decay or wormy fruit. (ii) For defects en route or at destination. Not more than 12...

7 CFR 51.2336 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or.... (2) For defects en route or at destination. 12 percent for fruit which fail to meet the requirements...

7 CFR 51.2336 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 12 percent for fruit which fail to meet... internal breakdown or decay. (2) For defects en route or at destination. 12 percent for fruit which fail to...

7 CFR 51.2336 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or.... (2) For defects en route or at destination. 12 percent for fruit which fail to meet the requirements...

7 CFR 51.1214 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 14... not more than 1 percent for peaches which are affected by decay. (2) For defects en route or at...

7 CFR 51.1214 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 14 percent for peaches in any lot that... are affected by decay. (2) For defects en route or at destination. 14 percent for peaches in any lot...

7 CFR 51.1151 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not... defects en route or at destination. Not more than 12 percent of the fruit which fail to meet the...

7 CFR 51.760 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route.... (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to meet...

7 CFR 51.1214 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 14... not more than 1 percent for peaches which are affected by decay. (2) For defects en route or at...

7 CFR 51.1820 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not... defects en route or at destination. Not more than 12 percent of the fruit which fail to meet the...

7 CFR 51.1214 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 14 percent for peaches in any lot that... are affected by decay. (2) For defects en route or at destination. 14 percent for peaches in any lot...

7 CFR 51.1151 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not... defects en route or at destination. Not more than 12 percent of the fruit which fail to meet the...

7 CFR 51.2336 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route or at destination. 12 percent for fruit which fail to meet... internal breakdown or decay. (2) For defects en route or at destination. 12 percent for fruit which fail to...

7 CFR 51.760 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not more than 12... this amount not more than 1 percent shall be for decay or wormy fruit. (ii) For defects en route or at...

7 CFR 51.760 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route.... (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to meet...

7 CFR 51.1820 - Tolerances.

Code of Federal Regulations, 2011 CFR

2011-01-01

... loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not... defects en route or at destination. Not more than 12 percent of the fruit which fail to meet the...

7 CFR 51.1151 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to... percent shall be for decay or wormy fruit. (ii) For defects en route or at destination. Not more than 12...

7 CFR 51.1820 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route.... (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to meet...

7 CFR 51.760 - Tolerances.

Code of Federal Regulations, 2012 CFR

2012-01-01

... stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route or at destination. Not more than 12... this amount not more than 1 percent shall be for decay or wormy fruit. (ii) For defects en route or at...

7 CFR 51.1820 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (ii) For defects en route.... (ii) For defects en route or at destination. Not more than 12 percent of the fruit which fail to meet...

7 CFR 51.3150 - Tolerances.

Code of Federal Regulations, 2013 CFR

2013-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route...) For defects en route or at destination. 12 percent for nectarines which fail to meet the requirements...

7 CFR 51.3150 - Tolerances.

Code of Federal Regulations, 2014 CFR

2014-01-01

... producing area or at port of loading for ship stores or overseas shipment, or, in the case of shipments from outside the continental United States, the port of entry into the United States. (2) For defects en route...) For defects en route or at destination. 12 percent for nectarines which fail to meet the requirements...

Origin of High Electronic Quality in Solar Cell Absorber CH3NH3PbI3

NASA Astrophysics Data System (ADS)

Yin, Wanjian; Shi, Tingting; Wei, Suhua; Yan, Yanfa

Thin-film solar cells based on CH3NH3PbI3 halide perovskites have recently shown remarkable performance. First-principle calculations and molecular dynamic simulations show that the structure of pristine CH3NH3PbI3 is much more disordered than the inorganic archetypal thin-film semiconductor CdTe. However, the structural disorders from thermal fluctuation, point defects and grain boundaries introduce rare deep defect states within the bandgaps; therefore, the material has high electronic quality. We have further shown that this unusually high electronic quality is attributed to the unique electronic structures of halide perovskite: the strong coupling between cation lone-pair Pb s orbitals and anion p orbitals and the large atomic size of constitute cation atoms. We further found that although CH3NH3PbI3 GBs do not introduce a deep gap state, the defect level close to the VBM can still act as a shallow hole trap state. Cl and O can spontaneously segregate into GBs and passivate those defect levels and deactivate the trap state.

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

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

Zhao, Zhibo; Singh, Akshay; Chesin, Jordan

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

Electrical level of defects in single-layer two-dimensional TiO2

NASA Astrophysics Data System (ADS)

Song, X. F.; Hu, L. F.; Li, D. H.; Chen, L.; Sun, Q. Q.; Zhou, P.; Zhang, D. W.

2015-11-01

The remarkable properties of graphene and transition metal dichalcogenides (TMDCs) have attracted increasing attention on two-dimensional materials, but the gate oxide, one of the key components of two-dimensional electronic devices, has rarely reported. We found the single-layer oxide can be used as the two dimensional gate oxide in 2D electronic structure, such as TiO2. However, the electrical performance is seriously influenced by the defects existing in the single-layer oxide. In this paper, a nondestructive and noncontact solution based on spectroscopic ellipsometry has been used to detect the defect states and energy level of single-layer TiO2 films. By fitting the Lorentz oscillator model, the results indicate the exact position of defect energy levels depends on the estimated band gap and the charge state of the point defects of TiO2.

"SAFEGUARDING THE INTERESTS OF THE STATE" FROM DEFECTIVE DELINQUENT GIRLS.

PubMed

Sohasky, Kate E

2016-01-01

The 1911 mental classification, "defective delinquent," was created as a temporary legal-medical category in order to identify a peculiar class of delinquent girls in a specific institutional setting. The defective delinquent's alleged slight mental defect, combined with her appearance of normalcy, rendered her a "dangerous" and "incurable" citizen. At the intersection of institutional history and the history of ideas, this article explores the largely overlooked role of borderline mental classifications of near-normalcy in the medicalization of intelligence and criminality during the first third of the twentieth-century United States. Borderline classifications served as mechanisms of control over women's bodies through the criminalization of their minds, and the advent of psychometric tests legitimated and facilitated the spread of this classification beyond its original and intended context. The borderline case of the defective delinquent girl demonstrates the significance of marginal mental classifications to the policing of bodies through the medicalization of intellect. © 2015 Wiley Periodicals, Inc.

Effect of hyperfine-induced spin mixing on the defect-enabled spin blockade and spin filtering in GaNAs

NASA Astrophysics Data System (ADS)

Puttisong, Y.; Wang, X. J.; Buyanova, I. A.; Chen, W. M.

2013-03-01

The effect of hyperfine interaction (HFI) on the recently discovered room-temperature defect-enabled spin-filtering effect in GaNAs alloys is investigated both experimentally and theoretically based on a spin Hamiltonian analysis. We provide direct experimental evidence that the HFI between the electron and nuclear spin of the central Ga atom of the spin-filtering defect, namely, the Gai interstitials, causes strong mixing of the electron spin states of the defect, thereby degrading the efficiency of the spin-filtering effect. We also show that the HFI-induced spin mixing can be suppressed by an application of a longitudinal magnetic field such that the electronic Zeeman interaction overcomes the HFI, leading to well-defined electron spin states beneficial to the spin-filtering effect. The results provide a guideline for further optimization of the defect-engineered spin-filtering effect.

Theoretical study of native point defects in strained-layer superlattice systems

NASA Astrophysics Data System (ADS)

Krishnamurthy, S.; Yu, Zhi Gang

2018-04-01

We developed a theoretical approach that employs first-principles Hamiltonians, tight-binding Hamiltonians, and Green's function techniques to obtain energy levels arising from native point defects (NPDs) in InAs-GaSb and InAs-InAs1-xSbx strained layer superlattice (SLS) systems. In InAs and GaSb regions, we considered four types of NPDs—anion vacancy, cation vacancy, anion anti-site, and cation anti-site—as well as isoelectronic substitution at anion sites (Sb at the As site and As at the Sb site). Additionally, we considered three types of defects—the cation at the second anion site, the second anion at the cation site, and second anion vacancy—in the InAs1-xSbx alloy region of the SLS. For a selected few designs, we studied NPDs both in the bulk region and near the interfaces of the SLS. We have considered 12 designs of InAs-GaSb systems and two designs of InAs-InAs0.7Sb0.3 systems lattice-matched to the GaSb substrate. The calculated defect levels not only agreed well with available measurements, but also revealed the connection between mid-gap levels and specific NPDs. We further calculated defect formation energies both in compounds and in all superlattices considered above. Since the absolute value of defect formation energy depends considerably on growth conditions, we evaluated the formation energies in SLS with respect to their value in the corresponding bulk or alloy. The calculated defect formation energies, together with defect energy level results, allow us to identify a few promising SLS designs for high-performing photodetectors.

Evaluating practical vs. theoretical inspection system capability with a new programmed defect test mask designed for 3X and 4X technology nodes

NASA Astrophysics Data System (ADS)

Glasser, Joshua; Pratt, Tim

2008-10-01

Programmed defect test masks serve the useful purpose of evaluating inspection system sensitivity and capability. It is widely recognized that when evaluating inspection system capability, it is important to understand the actual sensitivity of the inspection system in production; yet unfortunately we have observed that many test masks are a more accurate judge of theoretical sensitivity rather than real-world usable capability. Use of ineffective test masks leave the purchaser of inspection equipment open to the risks of over-estimating the capability of their inspection solution and overspecifying defect sensitivity to their customers. This can result in catastrophic yield loss for device makers. In this paper we examine some of the lithography-related technology advances which place an increasing burden on mask inspection complexity, such as MEEF, defect printability estimation, aggressive OPC, double patterning, and OPC jogs. We evaluate the key inspection system component contributors to successful mask inspection, including what can "go wrong" with these components. We designed and fabricated a test mask which both (a) more faithfully represents actual production use cases; and (b) stresses the key components of the inspection system. This mask's patterns represent 32nm, 36nm, and 45nm logic and memory technology including metal and poly like background patterns with programmed defects. This test mask takes into consideration requirements of advanced lithography, such as MEEF, defect printability, assist features, nearly-repetitive patterns, and data preparation. This mask uses patterns representative of 32nm, 36nm, and 45nm logic, flash, and DRAM technology. It is specifically designed to have metal and poly like background patterns with programmed defects. The mask is complex tritone and was designed for annular immersion lithography.

Custom implant design for large cranial defects.

PubMed

Marreiros, Filipe M M; Heuzé, Y; Verius, M; Unterhofer, C; Freysinger, W; Recheis, W

2016-12-01

The aim of this work was to introduce a computer-aided design (CAD) tool that enables the design of large skull defect (>100 [Formula: see text]) implants. Functional and aesthetically correct custom implants are extremely important for patients with large cranial defects. For these cases, preoperative fabrication of implants is recommended to avoid problems of donor site morbidity, sufficiency of donor material and quality. Finally, crafting the correct shape is a non-trivial task increasingly complicated by defect size. We present a CAD tool to design such implants for the neurocranium. A combination of geometric morphometrics and radial basis functions, namely thin-plate splines, allows semiautomatic implant generation. The method uses symmetry and the best fitting shape to estimate missing data directly within the radiologic volume data. In addition, this approach delivers correct implant fitting via a boundary fitting approach. This method generates a smooth implant surface, free of sharp edges that follows the main contours of the boundary, enabling accurate implant placement in the defect site intraoperatively. The present approach is evaluated and compared to existing methods. A mean error of 89.29 % (72.64-100 %) missing landmarks with an error less or equal to 1 mm was obtained. In conclusion, the results show that our CAD tool can generate patient-specific implants with high accuracy.

Surface defects and chiral algebras

NASA Astrophysics Data System (ADS)

Córdova, Clay; Gaiotto, Davide; Shao, Shu-Heng

2017-05-01

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

33 CFR 62.65 - Procedure for reporting defects and discrepancies.

Code of Federal Regulations, 2012 CFR

2012-07-01

... HOMELAND SECURITY AIDS TO NAVIGATION UNITED STATES AIDS TO NAVIGATION SYSTEM Public Participation in the Aids to Navigation System § 62.65 Procedure for reporting defects and discrepancies. (a) Mariners should notify the nearest Coast Guard facility immediately of any observed aids to navigation defects or...

33 CFR 62.65 - Procedure for reporting defects and discrepancies.

Code of Federal Regulations, 2011 CFR

2011-07-01

... HOMELAND SECURITY AIDS TO NAVIGATION UNITED STATES AIDS TO NAVIGATION SYSTEM Public Participation in the Aids to Navigation System § 62.65 Procedure for reporting defects and discrepancies. (a) Mariners should notify the nearest Coast Guard facility immediately of any observed aids to navigation defects or...

33 CFR 62.65 - Procedure for reporting defects and discrepancies.

Code of Federal Regulations, 2013 CFR

2013-07-01

... HOMELAND SECURITY AIDS TO NAVIGATION UNITED STATES AIDS TO NAVIGATION SYSTEM Public Participation in the Aids to Navigation System § 62.65 Procedure for reporting defects and discrepancies. (a) Mariners should notify the nearest Coast Guard facility immediately of any observed aids to navigation defects or...

33 CFR 62.65 - Procedure for reporting defects and discrepancies.

Code of Federal Regulations, 2014 CFR

2014-07-01

... HOMELAND SECURITY AIDS TO NAVIGATION UNITED STATES AIDS TO NAVIGATION SYSTEM Public Participation in the Aids to Navigation System § 62.65 Procedure for reporting defects and discrepancies. (a) Mariners should notify the nearest Coast Guard facility immediately of any observed aids to navigation defects or...

33 CFR 62.65 - Procedure for reporting defects and discrepancies.

Code of Federal Regulations, 2010 CFR

2010-07-01

... HOMELAND SECURITY AIDS TO NAVIGATION UNITED STATES AIDS TO NAVIGATION SYSTEM Public Participation in the Aids to Navigation System § 62.65 Procedure for reporting defects and discrepancies. (a) Mariners should notify the nearest Coast Guard facility immediately of any observed aids to navigation defects or...

Design and analysis of x-ray vision systems for high-speed detection of foreign body contamination in food

NASA Astrophysics Data System (ADS)

Graves, Mark; Smith, Alexander; Batchelor, Bruce G.; Palmer, Stephen C.

1994-10-01

In the food industry there is an ever increasing need to control and monitor food quality. In recent years fully automated x-ray inspection systems have been used to detect food on-line for foreign body contamination. These systems involve a complex integration of x- ray imaging components with state of the art high speed image processing. The quality of the x-ray image obtained by such systems is very poor compared with images obtained from other inspection processes, this makes reliable detection of very small, low contrast defects extremely difficult. It is therefore extremely important to optimize the x-ray imaging components to give the very best image possible. In this paper we present a method of analyzing the x-ray imaging system in order to consider the contrast obtained when viewing small defects.

The fabrication of bioresorbable implants for bone defects replacement using computer tomogram and 3D printing

NASA Astrophysics Data System (ADS)

Kuznetsov, P. G.; Tverdokhlebov, S. I.; Goreninskii, S. I.; Bolbasov, E. N.; Popkov, A. V.; Kulbakin, D. E.; Grigoryev, E. G.; Cherdyntseva, N. V.; Choinzonov, E. L.

2017-09-01

The present work demonstrates the possibility of production of personalized implants from bioresorbable polymers designed for replacement of bone defects. The stages of creating a personalized implant are described, which include the obtaining of 3D model from a computer tomogram, development of the model with respect to shape of bone fitment bore using Autodesk Meshmixer software, and 3D printing process from bioresorbable polymers. The results of bioresorbable polymer scaffolds implantation in pre-clinical tests on laboratory animals are shown. The biological properties of new bioresorbable polymers based on poly(lactic acid) were studied during their subcutaneous, intramuscular, bone and intraosseous implantation in laboratory animals. In all cases, there was a lack of a fibrous capsule formation around the bioresorbable polymer over time. Also, during the performed study, conclusions were made on osteogenesis intensity depending on the initial state of bone tissue.

Near-Infrared and Optical Beam Steering and Frequency Splitting in Air-Holes-in-Silicon Inverse Photonic Crystals

DOE PAGES

Tasolamprou, Anna C.; Koschny, Thomas; Kafesaki, Maria; ...

2017-09-28

Here, we present the design of a dielectric inverse photonic crystal structure that couples line-defect waveguide propagating modes into highly directional beams of controllable directionality. The structure utilizes a triangular lattice made of air holes drilled in an infinitely thick Si slab, and it is designed for operation in the near-infrared and optical regime. The structure operation is based on the excitation and manipulation of dark dielectric surface states, in particular on the tailoring of the dark states’ coupling to outgoing radiation. This coupling is achieved with the use of properly designed external corrugations. The structure adapts and matches modesmore » that travel through the photonic crystal and the free space. Moreover it facilitates the steering of the outgoing waves, is found to generate well-defined, spatially and spectrally isolated beams, and may serve as a frequency splitting component designed for operation in the near-infrared regime and in particular the telecom optical wavelength band. The design complies with the state-of-the-art Si nanofabrication technology and can be directly scaled for operation in the optical regime.« less

Near-Infrared and Optical Beam Steering and Frequency Splitting in Air-Holes-in-Silicon Inverse Photonic Crystals

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

Tasolamprou, Anna C.; Koschny, Thomas; Kafesaki, Maria

Here, we present the design of a dielectric inverse photonic crystal structure that couples line-defect waveguide propagating modes into highly directional beams of controllable directionality. The structure utilizes a triangular lattice made of air holes drilled in an infinitely thick Si slab, and it is designed for operation in the near-infrared and optical regime. The structure operation is based on the excitation and manipulation of dark dielectric surface states, in particular on the tailoring of the dark states’ coupling to outgoing radiation. This coupling is achieved with the use of properly designed external corrugations. The structure adapts and matches modesmore » that travel through the photonic crystal and the free space. Moreover it facilitates the steering of the outgoing waves, is found to generate well-defined, spatially and spectrally isolated beams, and may serve as a frequency splitting component designed for operation in the near-infrared regime and in particular the telecom optical wavelength band. The design complies with the state-of-the-art Si nanofabrication technology and can be directly scaled for operation in the optical regime.« less

[Application of negative molds technology based on three-dimensional printing in digital maxillofacial prostheses].

PubMed

Gu, X Y; Chen, X B; Jiao, T; Zhang, F Q; Jiang, X Q

2017-06-09

Objective: To explore a digital negative molds technique based on three-dimensional (3D) printing to assist in the manufacture of maxillofacial prostheses, and to improve the deficiency of the current clinical treatment. Methods: Seventeen patients with maxillofacial defects (including nasal defects, orbital defects, cheek defects, auricle defect) were scanned by means of facial optical scanning and computer tomography (CT). The 3D models were then reconstructed and global registration was made to merge the reconstructed models into a new digital model for 3D design. The 3D design of the prostheses was implemented in software. The mechanical connection structure was designed by forward engineering technology for 3 patients with intra-oral defects in maxilla who needed to make removable partial dentures, so that the silicone prostheses and removable partial denture could be combined. The removable partial dentures were made by conventional method and connected with the prostheses. According to the 3D data of the prostheses, the digital negative molds were designed, and the 3D printing technology was used to finish the processing of the resin molds. Silicone for prostheses were filled and cured in the resin molds to fabricate the clinical restorations for the patients. The margin adaptation and retention of the prostheses was detected. Results: Twenty patients with varying degrees of maxillofacial defects were rehabilitated using the courses developed in the study. All patients reported no pain or discomfort during the treatment; and they were satisfied with the final prostheses of the shape, color, retention, stability, etc. Eighteen of the prostheses showed good marginal adaptation, and sixteen of the prostheses showed good retention effect. Conclusions: The digital negative molds technique used in this study could greatly reduce the intensity of manual operation and provided a good therapeutic effect for patients with maxillofacial defects.

Passivating the sulfur vacancy in monolayer MoS2

NASA Astrophysics Data System (ADS)

Lu, Haichang; Kummel, Andrew; Robertson, John

2018-06-01

Various methods to passivate the sulfur vacancy in 2D MoS2 are modeled using density functional theory (DFT) to understand the passivation mechanism at an atomic scale. First, the organic super acid, bis(trifluoromethane)sulfonimide (TFSI) is a strong protonating agent, and it is experimentally found to greatly increase the photoluminescence efficiency. DFT simulations find that the effectiveness of passivation depends critically on the charge state and number of hydrogens donated by TFSI since this determines the symmetry of the defect complex. A symmetrical complex is formed by three hydrogen atoms bonding to the defect in a -1 charge state, and this gives no bandgap states and a Fermi level in the midgap. However, a charge state of +1 gives a lower symmetry complex with one state in the gap. One or two hydrogens also give complexes with gap states. Second, passivation by O2 can provide partial passivation by forming a bridge bond across the S vacancy, but it leaves a defect state in the lower bandgap. On the other hand, substitutional additions do not shift the vacancy states out of the gap.

Neural Tube Defects and Maternal Folate Intake Among Pregnancies Conceived After Folic Acid Fortification in the United States

PubMed Central

Mosley, Bridget S.; Cleves, Mario A.; Siega-Riz, Anna Maria; Shaw, Gary M.; Canfield, Mark A.; Waller, D. Kim; Werler, Martha M.

2009-01-01

Rates of neural tube defects have decreased since folic acid fortification of the food supply in the United States. The authors’ objective was to evaluate the associations between neural tube defects and maternal folic acid intake among pregnancies conceived after fortification. This is a multicenter, case-control study that uses data from the National Birth Defects Prevention Study, 1998–2003. Logistic regression was used to compute crude and adjusted odds ratios between cases and controls assessing maternal periconceptional use of folic acid and intake of dietary folic acid. Among 180 anencephalic cases, 385 spina bifida cases, and 3, 963 controls, 21.1%, 25.2%, and 26.1%, respectively, reported periconceptional use of folic acid supplements. Periconceptional supplement use did not reduce the risk of having a pregnancy affected by a neural tube defect. Maternal intake of dietary folate was not significantly associated with neural tube defects. In this study conducted among pregnancies conceived after mandatory folic acid fortification, the authors found little evidence of an association between neural tube defects and maternal folic acid intake. A possible explanation is that folic acid fortification reduced the occurrence of folic acid-sensitive neural tube defects. Further investigation is warranted to possibly identify women who remain at increased risk of preventable neural tube defects. PMID:18953063

Control of rail integrity by self-adaptive scheduling of rail tests

DOT National Transportation Integrated Search

1990-06-01

A guide for the scheduling of in-service tests of rail to detect defects is presented. The guide is designed for self-adaptation to changing track conditions, as reflected by the total rate of defect occurrence per test, the rate of 'service' defect ...

Influence of point defects on the near edge structure of hexagonal boron nitride

NASA Astrophysics Data System (ADS)

McDougall, Nicholas L.; Partridge, Jim G.; Nicholls, Rebecca J.; Russo, Salvy P.; McCulloch, Dougal G.

2017-10-01

Hexagonal boron nitride (hBN) is a wide-band-gap semiconductor with applications including gate insulation layers in graphene transistors, far-ultraviolet light emitting devices and as hydrogen storage media. Due to its complex microstructure, defects in hBN are challenging to identify. Here, we combine x-ray absorption near edge structure (XANES) spectroscopy with ab initio theoretical modeling to identify energetically favorable defects. Following annealing of hBN samples in vacuum and oxygen, the B and N K edges exhibited angular-dependent peak modifications consistent with in-plane defects. Theoretical calculations showed that the energetically favorable defects all produce signature features in XANES. Comparing these calculations with experiments, the principle defects were attributed to substitutional oxygen at the nitrogen site, substitutional carbon at the boron site, and hydrogen passivated boron vacancies. Hydrogen passivation of defects was found to significantly affect the formation energies, electronic states, and XANES. In the B K edge, multiple peaks above the major 1 s to π* peak occur as a result of these defects and the hydrogen passivated boron vacancy produces the frequently observed doublet in the 1 s to σ* transition. While the N K edge is less sensitive to defects, features attributable to substitutional C at the B site were observed. This defect was also calculated to have mid-gap states in its band structure that may be responsible for the 4.1-eV ultraviolet emission frequently observed from this material.

Digital design of scaffold for mandibular defect repair based on tissue engineering*

PubMed Central

Liu, Yun-feng; Zhu, Fu-dong; Dong, Xing-tao; Peng, Wei

2011-01-01

Mandibular defect occurs more frequently in recent years, and clinical repair operations via bone transplantation are difficult to be further improved due to some intrinsic flaws. Tissue engineering, which is a hot research field of biomedical engineering, provides a new direction for mandibular defect repair. As the basis and key part of tissue engineering, scaffolds have been widely and deeply studied in regards to the basic theory, as well as the principle of biomaterial, structure, design, and fabrication method. However, little research is targeted at tissue regeneration for clinic repair operations. Since mandibular bone has a special structure, rather than uniform and regular structure in existing studies, a methodology based on tissue engineering is proposed for mandibular defect repair in this paper. Key steps regarding scaffold digital design, such as external shape design and internal microstructure design directly based on triangular meshes are discussed in detail. By analyzing the theoretical model and the measured data from the test parts fabricated by rapid prototyping, the feasibility and effectiveness of the proposed methodology are properly verified. More works about mechanical and biological improvements need to be done to promote its clinical application in future. PMID:21887853

Digital design of scaffold for mandibular defect repair based on tissue engineering.

PubMed

Liu, Yun-feng; Zhu, Fu-dong; Dong, Xing-tao; Peng, Wei

2011-09-01

Mandibular defect occurs more frequently in recent years, and clinical repair operations via bone transplantation are difficult to be further improved due to some intrinsic flaws. Tissue engineering, which is a hot research field of biomedical engineering, provides a new direction for mandibular defect repair. As the basis and key part of tissue engineering, scaffolds have been widely and deeply studied in regards to the basic theory, as well as the principle of biomaterial, structure, design, and fabrication method. However, little research is targeted at tissue regeneration for clinic repair operations. Since mandibular bone has a special structure, rather than uniform and regular structure in existing studies, a methodology based on tissue engineering is proposed for mandibular defect repair in this paper. Key steps regarding scaffold digital design, such as external shape design and internal microstructure design directly based on triangular meshes are discussed in detail. By analyzing the theoretical model and the measured data from the test parts fabricated by rapid prototyping, the feasibility and effectiveness of the proposed methodology are properly verified. More works about mechanical and biological improvements need to be done to promote its clinical application in future.

Correlated resistive/capacitive state variability in solid TiO2 based memory devices

NASA Astrophysics Data System (ADS)

Li, Qingjiang; Salaoru, Iulia; Khiat, Ali; Xu, Hui; Prodromakis, Themistoklis

2017-05-01

In this work, we experimentally demonstrated the correlated resistive/capacitive switching and state variability in practical TiO2 based memory devices. Based on filamentary functional mechanism, we argue that the impedance state variability stems from the randomly distributed defects inside the oxide bulk. Finally, our assumption was verified via a current percolation circuit model, by taking into account of random defects distribution and coexistence of memristor and memcapacitor.

Why Chemical Vapor Deposition Grown MoS2 Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis.

PubMed

Li, Linqiu; Long, Run; Prezhdo, Oleg V

2018-06-13

Two-dimensional transition metal dichalcogenides (TMDs) have drawn strong attention due to their unique properties and diverse applications. However, TMD performance depends strongly on material quality and defect morphology. Experiments show that samples grown by chemical vapor deposition (CVD) outperform those obtained by physical vapor deposition (PVD). Experiments also show that CVD samples exhibit vacancy defects, while antisite defects are frequently observed in PVD samples. Our time-domain ab initio study demonstrates that both antisites and vacancies accelerate trapping and nonradiative recombination of charge carriers, but antisites are much more detrimental than vacancies. Antisites create deep traps for both electrons and holes, reducing energy gaps for recombination, while vacancies trap primarily holes. Antisites also perturb band-edge states, creating significant overlap with the trap states. In comparison, vacancy defects overlap much less with the band-edge states. Finally, antisites can create pairs of electron and hole traps close to the Fermi energy, allowing trapping by thermal activation from the ground state and strongly contributing to charge scattering. As a result, antisites accelerate charge recombination by more than a factor of 8, while vacancies enhance the recombination by less than a factor of 2. Our simulations demonstrate a general principle that missing atoms are significantly more benign than misplaced atoms, such as antisites and adatoms. The study rationalizes the existing experimental data, provides theoretical insights into the diverse behavior of different classes of defects, and generates guidelines for defect engineering to achieve high-performance electronic, optoelectronic, and solar-cell devices.

The effects of cation–anion clustering on defect migration in MgAl 2O 4

DOE PAGES

Zamora, Richard J.; Voter, Arthur F.; Perez, Danny; ...

2016-06-28

Magnesium aluminate spinel (MgAl 2O 4), like many other ceramic materials, offers a range of technological applications, from nuclear reactor materials to military body armor. For many of these applications, it is critical to understand both the formation and evolution of lattice defects throughout the lifetime of the material. We use the Speculatively Parallel Temperature Accelerated Dynamics (SpecTAD) method to investigate the effects of di-vacancy and di-interstitial formation on the mobility of the component defects. From long-time trajectories of the state-to-state dynamics, we characterize the migration pathways of defect clusters, and calculate their self-diffusion constants across a range of temperatures.more » We find that the clustering of Al and O vacancies drastically reduces the mobility of both defects, while the clustering of Mg and O vacancies completely immobilizes them. For interstitials, we find that the clustering of Mg and O defects greatly reduces O interstitial mobility, but has only a weak effect on Mg. Lastly, these findings illuminate important new details regarding defect kinetics relevant to the application of MgAl 2O 4 in extreme environments.« less

Mechanical behavior of deformed intravascular NiTi stents differing in design. Numerical simulation

NASA Astrophysics Data System (ADS)

Eremina, Galina M.; Smolin, Alexey Yu.; Krukovskii, Konstantin V.; Lotkov, Aleksandr I.; Kashin, Oleg A.; Kudryashov, Andrey N.

2017-12-01

Self-expanding intravascular NiTi stents serve to recover the lumen of vessels suffered from atherosclerotic stenosis. During their manufacturing or functioning in blood vessels, the stents experience different strains and local stresses that may result in dangerous defects or fracture. Here, using the method of movable cellular automata, we analyze how the design of a stent influences its stress state during shaping to a desired diameter on a mandrel. We consider repeated segments of different stents under two loads: uniform diametric expansion of their crown and expansion with relative displacements. The simulation data agree well with experiments, revealing critical strain, stress, and their localization sites at the shaping stage, and provide the way toward optimum stent designs to minimize the critical stress during shaping.

Design of a compact polarizing beam splitter based on a photonic crystal ring resonator with a triangular lattice.

PubMed

Yu, Tianbao; Huang, Jiehui; Liu, Nianhua; Yang, Jianyi; Liao, Qinghua; Jiang, Xiaoqing

2010-04-10

We propose and simulate a new kind of compact polarizing beam splitter (PBS) based on a photonic crystal ring resonator (PCRR) with complete photonic bandgaps. The two polarized states are separated far enough by resonant and nonresonant coupling between the waveguide modes and the microring modes. Some defect holes are utilized to control the beam propagation. The simulated results obtained by the finite-difference time-domain method show that high transmission (over 95%) is obtained and the polarization separation is realized with a length as short as 3.1 microm. The design of the proposed PBS can be flexible, thanks to the advantages of PCRRs.

Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing

NASA Astrophysics Data System (ADS)

Peters, Andrew J.; Lawson, Richard A.; Nation, Benjamin D.; Ludovice, Peter J.; Henderson, Clifford L.

2015-03-01

Directed self-assembly of block copolymers (BCPs) is a process that has received great interest in the field of nanomanufacturing in the past decade, and great strides towards forming high quality aligned patterns have been made. But state of the art methods still yield defectivities orders of magnitude higher than is necessary in semi-conductor fabrication even though free energy calculations suggest that equilibrium defectivities are much lower than is necessary for economic semi-conductor fabrication. This disparity suggests that the main problem may lie in the kinetics of defect removal. This work uses a coarse-grained model to study the rates, pathways, and dependencies of healing a common defect to give insight into the fundamental processes that control defect healing and give guidance on optimal process conditions for BCP-DSA. It is found that infinitely thick films yield an exponential drop in defect heal rate above χN ~ 30. Below χN ~ 30, the rate of transport was similar to the rate at which the transition state was reached so that the overall rate changed only slightly. The energy barrier in periodic simulations increased with 0.31 χN on average. Thin film simulations show no change in rate associated with the energy barrier below χN ~ 50, and then show an increase in energy barrier scaling with 0.16χN. Thin film simulations always begin to heal at either the free interface or the BCP-underlayer interface where the increased A-B contact area associated with the transition state will be minimized, while the infinitely thick films must start healing in the bulk where the A-B contact area is increased. It is also found that cooperative chain movement is required for the defect to start healing.

Density functional theory study of defects in unalloyed δ-Pu

DOE PAGES

Hernandez, S. C.; Freibert, F. J.; Wills, J. M.

2017-03-19

Using density functional theory, we explore in this paper various classical point and complex defects within the face-centered cubic unalloyed δ-plutonium matrix that are potentially induced from self-irradiation. For plutonium only defects, the most energetically stable defect is a distorted split-interstitial. Gallium, the δ-phase stabilizer, is thermodynamically stable as a substitutional defect, but becomes unstable when participating in a complex defect configuration. Finally, complex uranium defects may thermodynamically exist as uranium substitutional with neighboring plutonium interstitial and stabilization of uranium within the lattice is shown via partial density of states and charge density difference plots to be 5f hybridization betweenmore » uranium and plutonium.« less

Density functional theory study of defects in unalloyed δ-Pu

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

Hernandez, S. C.; Freibert, F. J.; Wills, J. M.

Using density functional theory, we explore in this paper various classical point and complex defects within the face-centered cubic unalloyed δ-plutonium matrix that are potentially induced from self-irradiation. For plutonium only defects, the most energetically stable defect is a distorted split-interstitial. Gallium, the δ-phase stabilizer, is thermodynamically stable as a substitutional defect, but becomes unstable when participating in a complex defect configuration. Finally, complex uranium defects may thermodynamically exist as uranium substitutional with neighboring plutonium interstitial and stabilization of uranium within the lattice is shown via partial density of states and charge density difference plots to be 5f hybridization betweenmore » uranium and plutonium.« less

The effect of a Hill-Sachs defect on glenohumeral translations, in situ capsular forces, and bony contact forces.

PubMed

Sekiya, Jon K; Jolly, John; Debski, Richard E

2012-02-01

Hill-Sachs defects have been associated with failed repairs for anterior shoulder instability. However, the biomechanical consequences of these defects are not well understood because of the complicated interaction between the passive soft tissue and bony stabilizers. The creation of a 25% Hill-Sachs defect would not significantly alter the glenohumeral translations but would increase the in situ forces in the glenohumeral capsule as well as the glenohumeral bony contact forces. Controlled laboratory study. A robotic/universal force-moment sensor (UFS) testing system was used to apply joint compression (22 N) and an anterior or posterior load (44 N) to cadaveric shoulders (n = 9) with the skin and deltoid removed (intact) at 3 glenohumeral joint positions (abduction/external rotation): 0°/0°, 30°/30°, and 60°/60° (corresponds to 90°/90° of shoulder abduction/external rotation). A 25% bony defect on the posterolateral humeral head (defect) was then created in the most common position of anterior shoulder dislocation (90°/90°), and the loading protocol was repeated. A nonparametric repeated-measures Friedman test with a Wilcoxon signed-rank post hoc test was performed to compare translations, in situ forces in the capsule, and bony contact forces between each state (P < .05). At 0°/0°, anterior translation significantly increased from 15.3 ± 8.2 mm to 16.6 ± 9.0 mm (P < .05) in response to an anterior load. At 30°/30°, anterior and posterior translations, respectively, significantly increased in response to both anterior (intact: 13.6 ± 7.1 mm vs defect: 14.2 ± 7 mm; P < .05) and posterior loads (intact: 15.7 ± 5.8 mm vs defect: 17.7 ± 5.1 mm; P < .05). In situ force in the capsule during anterior loading was increased in the defect state at both 60°/60° (intact: 38.9 ± 14.4 N vs defect: 43.2 ± 15.9 N; P < .05) and 30°/30° (intact: 39.6 ± 13.8 N vs defect: 45.6 ± 9.3 N; P < .05). The medial bony contact forces were also increased in the defect state at 30°/30° (intact: 25.0 ± 13.8 N vs defect: 28.9 ± 13.2 N; P < .05) during anterior loading. We believe that the stabilizing function of the intact capsule was the primary contributor to the finding of only small increases of anterior translation, capsule forces, and bony contact forces observed with a 25% Hill-Sachs defect in response to an anterior load. These findings imply that a 25% Hill-Sachs defect in isolation may not be responsible for recurrent instability if the function of the capsule is restored to the intact state and that the presence of the Hill-Sachs defect may be a marker for significant concomitant injury to the anterior glenoid rim. However, the small changes in these parameters may have long-term implications for the development of osteoarthritis.

The chemical state of defective uranium-plutonium oxide fuel pins irradiated in sodium cooled reactors

NASA Astrophysics Data System (ADS)

Kleykamp, H.

1997-09-01

Steady-state irradiation experiments were conducted in the sodium loop of the Siloe reactor on artificially failed mixed oxide pins that had been pre-irradiated in fast reactors up to 11.5% burnup. The formation of the predominant reaction product Na 3(U,Pu)O 4 starts on the fuel surface and is terminated when a lower O/(U + Pu) threshold of the fuel is attained. The axial extent of the reaction product depends on the size of the initial cladding defect. The occurrence of secondary cracks is possible. Na(U,Pu)O 3 forms at higher fuel temperatures. The existence of Na 3U 1- xPu xO 4 is shown in pre-irradiated blanket pins after artificial defect formation. Caesium in the oxocompounds is reduced to the metallic state and is dissolved in the coolant. Evidence of a very low chemical potential of oxygen in defective fuel pins is sustained by the occurrence of actinide-platinum metal phases formed by coupled reduction of hypostoichiometric fuel with ɛ-(Mo,Tc,Ru,Rh,Pd) precipitates. Continued operation of defective pins is not hazardous by easy precautions.

Four Pillars for Improving the Quality of Safety-Critical Software-Reliant Systems

DTIC Science & Technology

2013-04-01

Studies of safety-critical software-reliant systems developed using the current practices of build-then-test show that requirements and architecture ... design defects make up approximately 70% of all defects, many system level related to operational quality attributes, and 80% of these defects are

Investigation of defect modes in a defective photonic crystal with a semiconductor metamaterial defect

NASA Astrophysics Data System (ADS)

Wu, Meng-Ru; Wu, Chien-Jang; Chang, Shoou-Jinn

2014-11-01

In this work, we theoretically investigate the properties of defect modes in a defective photonic crystal containing a semiconductor metamaterial defect. We consider the structure, (LH)N/DP/(LH)N, where N and P are respectively the stack numbers, L is SiO2, H is InP, and defect layer D is a semiconductor metamaterial composed of Al-doped ZnO (AZO) and ZnO. It is found that, within the photonic band gap, the number of defect modes (transmission peaks) will decrease as the defect thickness increases, in sharp contrast to the case of using usual dielectric defect. The peak height and position can be changed by the variation in the thickness of defect layer. In the angle-dependent defect mode, its position is shown to be blue-shifted as the angle of incidence increases for both TE and TM waves. The analysis of defect mode provides useful information for the design of tunable transmission filter in semiconductor optoelectronics.

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS2 Films.

PubMed

Precner, M; Polaković, T; Qiao, Qiao; Trainer, D J; Putilov, A V; Di Giorgio, C; Cone, I; Zhu, Y; Xi, X X; Iavarone, M; Karapetrov, G

2018-04-30

We report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the work function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2 . Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2 -based integrated electronics and indicate the importance of defect control and layer passivation.

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS 2 Films

DOE PAGES

Precner, Marian; Polakovic, T.; Qiao, Qiao; ...

2018-04-30

Here, we report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the workmore » function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2. Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2-based integrated electronics and indicate the importance of defect control and layer passivation.« less

Evolution of Metastable Defects and Its Effect on the Electronic Properties of MoS 2 Films

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

Precner, Marian; Polakovic, T.; Qiao, Qiao

Here, we report on structural and electronic properties of defects in chemical vapor-deposited monolayer and few-layer MoS 2 films. Scanning tunneling microscopy, Kelvin probe force microscopy, and transmission electron microscopy were used to obtain high resolution images and quantitative measurements of the local density of states, work function and nature of defects in MoS 2 films. We track the evolution of defects that are formed under heating and electron beam irradiation. We observe formation of metastable domains with different work function values after annealing the material in ultra-high vacuum to moderate temperatures. We attribute these metastable values of the workmore » function to evolution of crystal defects forming during the annealing. The experiments show that sulfur vacancies formed after exposure to elevated temperatures diffuse, coalesce, and migrate bringing the system from a metastable to equilibrium ground state. The process could be thermally or e-beam activated with estimated energy barrier for sulfur vacancy migration of 0.6 eV in single unit cell MoS 2. Even at equilibrium conditions, the work function and local density of states values are strongly affected near grain boundaries and edges. The results provide initial estimates of the thermal budgets available for reliable fabrication of MoS 2-based integrated electronics and indicate the importance of defect control and layer passivation.« less

Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation

NASA Astrophysics Data System (ADS)

Sajid, A.; Reimers, Jeffrey R.; Ford, Michael J.

2018-02-01

Key properties of nine possible defect sites in hexagonal boron nitride (h-BN), VN,VN -1,CN,VNO2 B,VNNB,VNCB,VBCN,VBCNS iN , and VNCBS iB , are predicted using density-functional theory and are corrected by applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic resonance signals at 22.4, 20.83, and 352.70 MHz are assigned to VN,CN, and VNO2 B , respectively, while the observed photoemission at 1.95 eV is assigned to VNCB . Detailed consideration of the available excited states, allowed spin-orbit couplings, zero-field splitting, and optical transitions is made for the two related defects VNCB and VBCN . VNCB is proposed for realizing long-lived quantum memory in h-BN. VBCN is predicted to have a triplet ground state, implying that spin initialization by optical means is feasible and suitable optical excitations are identified, making this defect of interest for possible quantum-qubit operations.

Topological interface states in the natural heterostructure (PbSe)5(Bi2Se3 )6 with BiPb defects

NASA Astrophysics Data System (ADS)

Momida, Hiroyoshi; Bihlmayer, Gustav; Blügel, Stefan; Segawa, Kouji; Ando, Yoichi; Oguchi, Tamio

2018-01-01

We study theoretically the electronic band structure of (PbSe) 5(Bi2Se3 )6, which consists of an ordinary insulator PbSe and a topological insulator Bi2Se3 . The first-principles calculations show that this material has a gapped Dirac-cone energy dispersion inside the bulk, which originates from the topological states of Bi2Se3 layers encapsulated by PbSe layers. Furthermore, we calculate the band structures of (BixPb1 -xSe )5(Bi2Se3 )6 with BiPb antisite defects included in the PbSe layers. The result shows that a high density of BiPb defects can exist in real materials, consistent with the experimentally estimated x of more than 30%. The BiPb defects strongly modify the band alignment between Bi2Se3 and PbSe layers, while the topological interface states of Bi2Se3 are kept as a gapped Dirac-cone-like dispersion.

Lattice distortion and electron charge redistribution induced by defects in graphene

DOE PAGES

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

2016-09-14

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

Differences between Angus and Holstein cattle in the Lupinus leucophyllus induced inhibition of fetal activity

USDA-ARS?s Scientific Manuscript database

In the United States, calves with congenital defects born to cows that have grazed teratogenic Lupinus spp. during pregnancy can suffer from what is colloquially termed crooked calf syndrome. Crooked calf defects include cleft palate, spinal column defects and angular limb malformations which are fo...

Orthopositronium study of positron-irradiation-induced surface defects in alumina powder

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

Dauwe, C.; Mbungu-Tsumbu

1992-01-01

Three-quantum-yield measurements and orthopositronium ({ital o}-Ps)-lifetime spectrometry at low temperatures are used to study the interaction of positronium with the surface in fine powders of aluminum oxide. It is found that electron and/or positron irradiation of the specimen induces surface defects which influence the positronium in three ways: (1) A surface positroniumlike bound state is created, (2) the fraction of {ital o}-Ps escaping from the particles is slightly inhibited, and (3) the escaped {ital o}-Ps is quenched into two-quantum decay upon collisions with the surface defects. It is found that the surface Ps state is not populated at the expensemore » of the interparticle Ps. The most likely surface defects are Al{sup 2+} or Al{sup 0} due to the migration of irradiation-induced interstitials. The techniques of long-lifetime spectrometry and of three-quantum-annihilation-rate measurement could be used to study both the diffusion of bulk defects to the surfaces, and the interactions of {ital o}-Ps to surface defects.« less

Generalized global symmetries in states with dynamical defects: The case of the transverse sound in field theory and holography

NASA Astrophysics Data System (ADS)

Grozdanov, Sašo; Poovuttikul, Napat

2018-05-01

In this work, we show how states with conserved numbers of dynamical defects (strings, domain walls, etc.) can be understood as possessing generalized global symmetries even when the microscopic origins of these symmetries are unknown. Using this philosophy, we build an effective theory of a 2 +1 -dimensional fluid state with two perpendicular sets of immersed elastic line defects. When the number of defects is independently conserved in each set, then the state possesses two one-form symmetries. Normally, such viscoelastic states are described as fluids coupled to Goldstone bosons associated with spontaneous breaking of translational symmetry caused by the underlying microscopic structure—the principle feature of which is a transverse sound mode. At the linear, nondissipative level, we verify that our theory, based entirely on symmetry principles, is equivalent to a viscoelastic theory. We then build a simple holographic dual of such a state containing dynamical gravity and two two-form gauge fields, and use it to study its hydrodynamic and higher-energy spectral properties characterized by nonhydrodynamic, gapped modes. Based on the holographic analysis of transverse two-point functions, we study consistency between low-energy predictions of the bulk theory and the effective boundary theory. Various new features of the holographic dictionary are explained in theories with higher-form symmetries, such as the mixed-boundary-condition modification of the quasinormal mode prescription that depends on the running coupling of the boundary double-trace deformations. Furthermore, we examine details of low- and high-energy parts of the spectrum that depend on temperature, line defect densities and the renormalization group scale.

Spin and valley filter across line defect in silicene

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

A noise model for the evaluation of defect states in solar cells

PubMed Central

Landi, G.; Barone, C.; Mauro, C.; Neitzert, H. C.; Pagano, S.

2016-01-01

A theoretical model, combining trapping/detrapping and recombination mechanisms, is formulated to explain the origin of random current fluctuations in silicon-based solar cells. In this framework, the comparison between dark and photo-induced noise allows the determination of important electronic parameters of the defect states. A detailed analysis of the electric noise, at different temperatures and for different illumination levels, is reported for crystalline silicon-based solar cells, in the pristine form and after artificial degradation with high energy protons. The evolution of the dominating defect properties is studied through noise spectroscopy. PMID:27412097

Surface defects and chiral algebras

DOE PAGES

Córdova, Clay; Gaiotto, Davide; Shao, Shu-Heng

2017-05-26

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

Surface defects and chiral algebras

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

Córdova, Clay; Gaiotto, Davide; Shao, Shu-Heng

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

Spins and photons: connecting quantum registers in diamond

NASA Astrophysics Data System (ADS)

Childress, Lily

2012-06-01

Long-lived electronic and nuclear spin states have made the nitrogen-vacancy (NV) defect in diamond a leading candidate for quantum information processing in the solid state. Multi-qubit quantum registers formed by single defects and nearby nuclear spins can currently be controlled and detected with high fidelity. Nevertheless, development of coherent connections between distant NVs remains an outstanding challenge. One advantage to working with solid-state defects is the opportunity to integrate them with microfabricated mechanical, electronic, or optical devices; in principle, such devices could mediate interactions between registers, turning them into nodes within a larger quantum network. In the last few months, several experiments have made key steps toward realizing a coherent quantum interface between individual NV centers using a mechanical quantum bus [1] or optical channels [2,3]. This talk will explore the current state of the art, and report on recent observation of two photon quantum interference between different gate-tunable defect centers [2]. These results pave the way towards measurement-based entanglement between remote NV centers and the realization of quantum networks with solid-state spins.[4pt] [1] Kolkowitz et al., Science 335, 1603 (2012)[2] Bernien et al., Phys. Rev. Lett. 108, 043604 (2012)[3] Sipahigil et al., http://lanl.arxiv.org/abs/1112.3975

An oscillating tragedy of the commons in replicator dynamics with game-environment feedback.

PubMed

Weitz, Joshua S; Eksin, Ceyhun; Paarporn, Keith; Brown, Sam P; Ratcliff, William C

2016-11-22

A tragedy of the commons occurs when individuals take actions to maximize their payoffs even as their combined payoff is less than the global maximum had the players coordinated. The originating example is that of overgrazing of common pasture lands. In game-theoretic treatments of this example, there is rarely consideration of how individual behavior subsequently modifies the commons and associated payoffs. Here, we generalize evolutionary game theory by proposing a class of replicator dynamics with feedback-evolving games in which environment-dependent payoffs and strategies coevolve. We initially apply our formulation to a system in which the payoffs favor unilateral defection and cooperation, given replete and depleted environments, respectively. Using this approach, we identify and characterize a class of dynamics: an oscillatory tragedy of the commons in which the system cycles between deplete and replete environmental states and cooperation and defection behavior states. We generalize the approach to consider outcomes given all possible rational choices of individual behavior in the depleted state when defection is favored in the replete state. In so doing, we find that incentivizing cooperation when others defect in the depleted state is necessary to avert the tragedy of the commons. In closing, we propose directions for the study of control and influence in games in which individual actions exert a substantive effect on the environmental state.

Ultrafast photocarrier dynamics related to defect states of Si1-xGex nanowires measured by optical pump-THz probe spectroscopy.

PubMed

Bae, Jung Min; Lee, Woo-Jung; Jung, Seonghoon; Ma, Jin Won; Jeong, Kwang-Sik; Oh, Seung Hoon; Kim, Seongsin M; Suh, Dongchan; Song, Woobin; Kim, Sunjung; Park, Jaehun; Cho, Mann-Ho

2017-06-14

Slightly tapered Si 1-x Ge x nanowires (NWs) (x = 0.29-0.84) were synthesized via a vapor-liquid-solid procedure using Au as a catalyst. We measured the optically excited carrier dynamics of Si 1-x Ge x NWs as a function of Ge content using optical pump-THz probe spectroscopy. The measured -ΔT/T 0 signals of Si 1-x Ge x NWs were converted into conductivity in the THz region. We developed a fitting formula to apply to indirect semiconductors such as Si 1-x Ge x , which explains the temporal population of photo-excited carriers in the band structure and the relationship between the trapping time and the defect states on an ultrafast time scale. From the fitting results, we extracted intra- and inter-valley transition times and trapping times of electrons and holes of Si 1-x Ge x NWs as a function of Ge content. On the basis of theoretical reports, we suggest a physical model to interpret the trapping times related to the species of interface defect states located at the oxide/NW: substoichiometric oxide states of Si(Ge) 0+,1+,2+ , but not Si(Ge) 3+ , could function as defect states capturing photo-excited electrons or holes and could determine the different trapping times of electrons and holes depending on negatively or neutrally charged states.

An oscillating tragedy of the commons in replicator dynamics with game-environment feedback

PubMed Central

Weitz, Joshua S.; Eksin, Ceyhun; Paarporn, Keith; Brown, Sam P.; Ratcliff, William C.

2016-01-01

A tragedy of the commons occurs when individuals take actions to maximize their payoffs even as their combined payoff is less than the global maximum had the players coordinated. The originating example is that of overgrazing of common pasture lands. In game-theoretic treatments of this example, there is rarely consideration of how individual behavior subsequently modifies the commons and associated payoffs. Here, we generalize evolutionary game theory by proposing a class of replicator dynamics with feedback-evolving games in which environment-dependent payoffs and strategies coevolve. We initially apply our formulation to a system in which the payoffs favor unilateral defection and cooperation, given replete and depleted environments, respectively. Using this approach, we identify and characterize a class of dynamics: an oscillatory tragedy of the commons in which the system cycles between deplete and replete environmental states and cooperation and defection behavior states. We generalize the approach to consider outcomes given all possible rational choices of individual behavior in the depleted state when defection is favored in the replete state. In so doing, we find that incentivizing cooperation when others defect in the depleted state is necessary to avert the tragedy of the commons. In closing, we propose directions for the study of control and influence in games in which individual actions exert a substantive effect on the environmental state. PMID:27830651

Effect of defect state on photon synergistic process in KLu2F7:Yb3+, Er3+ nanoparticles

NASA Astrophysics Data System (ADS)

Bian, Wenjuan; Lu, Wei; Qi, Yushuang; Yu, Xue; Zhou, Dacheng; Yang, Yong; Qiu, Jianbei; Xu, Xuhui

2016-10-01

The synergistic effect appeared due to the cooperative dual-wavelength excitation by near-infrared (NIR) and ultraviolet (UV) light in rare-earth doped nano-particles (NPs) is very important to improve solar cell efficiency. Herein, we studied the synergistic effect combined with the energy levels of Er3+ ions and the defect states in KLu2F7 NPs. The introduction of Ce3+ ions in KLu2F7:16%Yb3+, 2%Er3+ NPs results in significant improvement of synergistic effect by producing more vacancy defects (VK‧) which serves as shallow traps. We verify unambiguously that the control of the defects distribution exerts a facile approach to promote the synergistic effect with the assistance of Ce3+ ions doping.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Efficiency droop in GaN LEDs at high injection levels: Role of hydrogen

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

Bochkareva, N. I.; Sheremet, I. A.; Shreter, Yu. G., E-mail: y.shreter@mail.ioffe.ru

2016-10-15

Point defects in GaN and, in particular, their manifestation in the photoluminescence, optical absorption, and recombination current in light-emitting diodes with InGaN/GaN quantum wells are analyzed. The results of this analysis demonstrate that the wide tail of defect states in the band gap of GaN facilitates the trap-assisted tunneling of thermally activated carriers into the quantum well, but simultaneously leads to a decrease in the nonradiative-recombination lifetime and to an efficiency droop as the quasi-Fermi levels intersect the defect states with increasing forward bias. The results reveal the dominant role of hydrogen in the recombination activity of defects with danglingmore » bonds and in the efficiency of GaN-based devices.« less

First principles molecular dynamics study of nitrogen vacancy complexes in boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-07-01

We present the results of first principles molecular dynamics simulations of nitrogen vacancy complexes in monolayer hexagonal boron nitride. The threshold for local structure reconstruction is found to be sensitive to the presence of a substitutional carbon impurity. We show that activated nitrogen dynamics triggers the annihilation of defects in the layer through formation of Stone-Wales-type structures. The lowest energy state of nitrogen vacancy complexes is negatively charged and spin polarized. Using the divacancy complex, we show that their formation induces spontaneous magnetic moments, which is tunable by electron or hole injection. The Fermi level s-resonant defect state is identified as a unique signature of the ground state of the divacancy complex. Due to their ability to enhance structural cohesion, only the divacancy and the nitrogen vacancy carbon-antisite complexes are able to suppress the Fermi level resonant defect state to open a gap between the conduction and valence bands.

Classification of Computer-Aided Design-Computer-Aided Manufacturing Applications for the Reconstruction of Cranio-Maxillo-Facial Defects.

PubMed

Wauters, Lauri D J; Miguel-Moragas, Joan San; Mommaerts, Maurice Y

2015-11-01

To gain insight into the methodology of different computer-aided design-computer-aided manufacturing (CAD-CAM) applications for the reconstruction of cranio-maxillo-facial (CMF) defects. We reviewed and analyzed the available literature pertaining to CAD-CAM for use in CMF reconstruction. We proposed a classification system of the techniques of implant and cutting, drilling, and/or guiding template design and manufacturing. The system consisted of 4 classes (I-IV). These classes combine techniques used for both the implant and template to most accurately describe the methodology used. Our classification system can be widely applied. It should facilitate communication and immediate understanding of the methodology of CAD-CAM applications for the reconstruction of CMF defects.

[Resection of alae nasi malignant and nasolabial flaps pedicled facial prosthetics I period of repair].

PubMed

Tuo, Honglian; Yang, Guangdong; Ling, Dan; Ma, Gang

2010-04-01

To Discuss nasolabial pedicle flap in the repair of facial malignant asal nasi resection defect after clinical practicality and feasibility. Eleven cases of patients with asal nasi surgery in patients with malignant tumor resection. And in accordance with the characteristics of the blood supply of the nasolabial fold area and the size of design defects to be repaired region length. angle and size, design nasolabial flaps pedicled flap face. Go through the nasal alar defect repair defects. All patients were I wound healing, skins all survived, good blood circulation, good color and no obvious scar area. One year postoperative follow-up to 5 years without recurrence of the tumor, the effect of external nose satisfied with the cosmetic restoration. The nasolabial flap pedicled facial blood rich and easy to survive, organizations can provide sufficient volume to the repair of larger nasal defects, vascular pedicle length, the transfer of a flexible, easy to operate and no obvious scar area. Nasolabial pedicle flap to repair the face of larger asal nasi defects after resection of malignant tumors can choose the best skin.

Algorithm design of liquid lens inspection system

NASA Astrophysics Data System (ADS)

Hsieh, Lu-Lin; Wang, Chun-Chieh

2008-08-01

In mobile lens domain, the glass lens is often to be applied in high-resolution requirement situation; but the glass zoom lens needs to be collocated with movable machinery and voice-coil motor, which usually arises some space limits in minimum design. In high level molding component technology development, the appearance of liquid lens has become the focus of mobile phone and digital camera companies. The liquid lens sets with solid optical lens and driving circuit has replaced the original components. As a result, the volume requirement is decreased to merely 50% of the original design. Besides, with the high focus adjusting speed, low energy requirement, high durability, and low-cost manufacturing process, the liquid lens shows advantages in the competitive market. In the past, authors only need to inspect the scrape defect made by external force for the glass lens. As to the liquid lens, authors need to inspect the state of four different structural layers due to the different design and structure. In this paper, authors apply machine vision and digital image processing technology to administer inspections in the particular layer according to the needs of users. According to our experiment results, the algorithm proposed can automatically delete non-focus background, extract the region of interest, find out and analyze the defects efficiently in the particular layer. In the future, authors will combine the algorithm of the system with automatic-focus technology to implement the inside inspection based on the product inspective demands.

Interface Energy Alignment of Atomic-Layer-Deposited VOx on Pentacene: an in Situ Photoelectron Spectroscopy Investigation.

PubMed

Zhao, Ran; Gao, Yuanhong; Guo, Zheng; Su, Yantao; Wang, Xinwei

2017-01-18

Ultrathin atomic-layer-deposited (ALD) vanadium oxide (VO x ) interlayer has recently been demonstrated for remarkably reducing the contact resistance in organic electronic devices (Adv. Funct. Mater. 2016, 26, 4456). Herein, we present an in situ photoelectron spectroscopy investigation (including X-ray and ultraviolet photoelectron spectroscopies) of ALD VO x grown on pentacene to understand the role of the ALD VO x interlayer for the improved contact resistance. The in situ photoelectron spectroscopy characterizations allow us to monitor the ALD growth process of VO x and trace the evolutions of the work function, pentacene HOMO level, and VO x defect states during the growth. The initial VO x growth is found to be partially delayed on pentacene in the first ∼20 ALD cycles. The underneath pentacene layer is largely intact after ALD. The ALD VO x is found to contain a high density of defect states starting from 0.67 eV below the Fermi level, and the energy level of these defect states is in excellent alignment with the HOMO level of pentacene, which therefore allows these VO x defect states to provide an efficient hole-injection pathway at the contact interface.

Stark tuning and electrical charge state control of single divacancies in silicon carbide

NASA Astrophysics Data System (ADS)

de las Casas, Charles F.; Christle, David J.; Ul Hassan, Jawad; Ohshima, Takeshi; Son, Nguyen T.; Awschalom, David D.

2017-12-01

Neutrally charged divacancies in silicon carbide (SiC) are paramagnetic color centers whose long coherence times and near-telecom operating wavelengths make them promising for scalable quantum communication technologies compatible with existing fiber optic networks. However, local strain inhomogeneity can randomly perturb their optical transition frequencies, which degrades the indistinguishability of photons emitted from separate defects and hinders their coupling to optical cavities. Here, we show that electric fields can be used to tune the optical transition frequencies of single neutral divacancy defects in 4H-SiC over a range of several GHz via the DC Stark effect. The same technique can also control the charge state of the defect on microsecond timescales, which we use to stabilize unstable or non-neutral divacancies into their neutral charge state. Using fluorescence-based charge state detection, we show that both 975 nm and 1130 nm excitation can prepare their neutral charge state with near unity efficiency.

Carrier providers or killers: The case of Cu defects in CdTe

DOE PAGES

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

2017-07-24

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

Carrier providers or killers: The case of Cu defects in CdTe

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

Yang, Ji -Hui; Metzger, Wyatt K.; Wei, Su -Huai

Defects play important roles in semiconductors for optoelectronic applications. Common intuition is that defects with shallow levels act as carrier providers and defects with deep levels are carrier killers. Here, taking the Cu defects in CdTe as an example, we show that relatively shallow defects can play both roles. Using first-principles calculation methods combined with thermodynamic simulations, we study the dialectic effects of Cu-related defects on hole density and lifetime in bulk CdTe. Because CuCd can form a relatively shallow acceptor, we find that increased Cu incorporation into CdTe indeed can help achieve high hole density; however, too much Cumore » can cause significant non-radiative recombination. We discuss strategies to balance the contradictory effects of Cu defects based on the calculated impact of Cd chemical potential, copper defect concentrations, and annealing temperature on lifetime and hole density. Lastly, these findings advance the understanding of the potential complex defect behaviors of relatively shallow defect states in semiconductors.« less

Special purpose modes in photonic band gap fibers

DOEpatents

Spencer, James; Noble, Robert; Campbell, Sara

2013-04-02

Photonic band gap fibers are described having one or more defects suitable for the acceleration of electrons or other charged particles. Methods and devices are described for exciting special purpose modes in the defects including laser coupling schemes as well as various fiber designs and components for facilitating excitation of desired modes. Results are also presented showing effects on modes due to modes in other defects within the fiber and due to the proximity of defects to the fiber edge. Techniques and devices are described for controlling electrons within the defect(s). Various applications for electrons or other energetic charged particles produced by such photonic band gap fibers are also described.

Defects in Calcite.

DTIC Science & Technology

1991-05-13

AD-A245 645 A TRIDENT SCHOLAR PROJECT REPORT NO. 181 "DEFECTS IN CALCITE " DTTC %N FEB 5-1912 UNITED STATES NAVAL ACADEMY ANNAPOLIS, MARYLAND 92-02841...report; no. 181 (1991) "DEFECTS IN CALCITE " A Trident Scholar Project Report by Midshipman Anthony J. Kotarski, Class of 1991 U. S. Naval Academy Annapolis...REPORT TYPE AND DATES COVERED 13 May 1991 Final 1990/91 . TITLE AND SUBTITLE s. FUNDING NUMBERS DEFECTS IN CALCITE 6. AUTHOR(S) Anthony J. Kotarski 7

Spina Bifida and Folic Acid Awareness

ERIC Educational Resources Information Center

Exceptional Parent, 2007

2007-01-01

Spina bifida is the most common, permanently disabling birth defect in the United States. It is a birth defect that involves incomplete formation of the spine during the first month of pregnancy--often before a woman even knows she is pregnant. Everyday, an average of eight babies are born with spina bifida or a similar birth defect of the brain…

Robust flow of light in three-dimensional dielectric photonic crystals.

PubMed

Chen, Wen-Jie; Jiang, Shao-Ji; Dong, Jian-Wen

2013-09-01

Chiral defect waveguides and waveguide bend geometry were designed in diamond photonic crystal to mold the flow of light in three dimensions. Propagations of electromagnetic waves in chiral waveguides are robust against isotropic obstacles, which would suppress backscattering in waveguides or integrated devices. Finite-difference time-domain simulations demonstrate that high coupling efficiency through the bend corner is preserved in the polarization gap, as it provides an additional constraint on the polarization state of the backscattered wave. Transport robustness is also demonstrated by inserting two metallic slabs into the waveguide bend.

Kibble Zurek mechanism of topological defect formation in quantum field theory with matrix product states

NASA Astrophysics Data System (ADS)

Gillman, Edward; Rajantie, Arttu

2018-05-01

The Kibble Zurek mechanism in a relativistic ϕ4 scalar field theory in D =(1 +1 ) is studied using uniform matrix product states. The equal time two point function in momentum space G2(k ) is approximated as the system is driven through a quantum phase transition at a variety of different quench rates τQ. We focus on looking for signatures of topological defect formation in the system and demonstrate the consistency of the picture that the two point function G2(k ) displays two characteristic scales, the defect density n and the kink width dK. Consequently, G2(k ) provides a clear signature for the formation of defects and a well defined measure of the defect density in the system. These results provide a benchmark for the use of tensor networks as powerful nonperturbative nonequilibrium methods for relativistic quantum field theory, providing a promising technique for the future study of high energy physics and cosmology.

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

NASA Astrophysics Data System (ADS)

Terada, Yayoi; Mohri, Tetsuo

2018-05-01

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

Origin of subgap states in amorphous In-Ga-Zn-O

NASA Astrophysics Data System (ADS)

Körner, Wolfgang; Urban, Daniel F.; Elsässer, Christian

2013-10-01

We present a density functional theory analysis of stoichiometric and nonstoichiometric, crystalline and amorphous In-Ga-Zn-O (c-IGZO, a-IGZO), which connects the recently experimentally discovered electronic subgap states to structural features of a-IGZO. In particular, we show that undercoordinated oxygen atoms create electronic defect levels in the lower half of the band gap up to about 1.5 eV above the valence band edge. As a second class of fundamental defects that appear in a-IGZO, we identify mainly pairs of metal atoms which are not separated by oxygen atoms in between. These defects cause electronic defect levels in the upper part of the band gap. Furthermore, we show that hydrogen doping can suppress the deep levels due to undercoordinated oxygen atoms while those of metal defects just undergo a shift within the band gap. Altogether our results provide an explanation for the experimentally observed effect that hydrogen doping increases the transparency and improves the conductivity of a-IGZO.

Slow positrons in the study of surface and near-surface defects

NASA Astrophysics Data System (ADS)

Lynn, K. G.

A general theoretical model is presented which includes the probability of a positron diffusing back to the surface after implantation, and thermalization in samples containing various defects. This model incorporates surface state and thermal desorption from this state, as well as reflection back into the bulk. With this model vacancy formation enthalpies, activation energies of positrons from surface states, and specific trapping rates are deduced from the positronium fraction data. An amorphous Al/sub x/O/sub y/ overlayer on Al is discussed as an example of trapping in overlayers. In well-annealed single crystal samples, the positron is shown to be freely diffusing at low temperatures, whereas in a neutron-irradiatied Al single crystal sample the positron is localized at low positron binding energy defects presumably created during irradiation.

Optical Probe of the Density of Defect States in Organic Thin-Film Transistors

NASA Astrophysics Data System (ADS)

Breban, Mihaela; Romero, Danilo; Ballarotto, Vincent; Williams, Ellen

2006-03-01

We investigate the role of defect states associated with different gate dielectric materials on charge transport in organic thin film transistors. Using a modulation technique we measure the magnitude and the phase of the photocurrent^1 in pentacene thin film transistors as a function of the modulation frequency. The photocurrent generation process is modeled as exciton dissociation due to interaction with localized traps. A time domain analyses of this multi-step process allows us to extract the density of defect states. We use this technique to compare the physical mechanism underlying performances of pentacene devices fabricated with different dielectric materials. *Supported by the Laboratory for Physical Science ^1 M. Breban, et al. ``Photocurrent probe of field-dependent mobility in organic thin-film transistors'' Appl. Phys. Letts. 87, 203503 (2005)

7 CFR 58.1 - Meaning of words.

Code of Federal Regulations, 2010 CFR

2010-01-01

... from defects which affect its serviceability, including appearance as well as usability, of the... which a product is free from defects which affect its usability, including but not limited to, the state...

7 CFR 58.1 - Meaning of words.

Code of Federal Regulations, 2011 CFR

2011-01-01

... from defects which affect its serviceability, including appearance as well as usability, of the... which a product is free from defects which affect its usability, including but not limited to, the state...

International conference on defects in insulating crystals

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

Not Available

1977-01-01

Short summaries of conference papers are presented. Some of the conference topics included transport properties, defect levels, superionic conductors, radiation effects, John-Teller effect, electron-lattice interactions, and relaxed excited states. (SDF)

Coarse-grained molecular dynamics modeling of the kinetics of lamellar block copolymer defect annealing

NASA Astrophysics Data System (ADS)

Peters, Andrew J.; Lawson, Richard A.; Nation, Benjamin D.; Ludovice, Peter J.; Henderson, Clifford L.

2016-01-01

State-of-the-art block copolymer (BCP)-directed self-assembly (DSA) methods still yield defect densities orders of magnitude higher than is necessary in semiconductor fabrication despite free-energy calculations that suggest equilibrium defect densities are much lower than is necessary for economic fabrication. This disparity suggests that the main problem may lie in the kinetics of defect removal. This work uses a coarse-grained model to study the rates, pathways, and dependencies of healing a common defect to give insight into the fundamental processes that control defect healing and give guidance on optimal process conditions for BCP-DSA. It is found that bulk simulations yield an exponential drop in defect heal rate above χN˜30. Thin films show no change in rate associated with the energy barrier below χN˜50, significantly higher than the χN values found previously for self-consistent field theory studies that neglect fluctuations. Above χN˜50, the simulations show an increase in energy barrier scaling with 1/2 to 1/3 of the bulk systems. This is because thin films always begin healing at the free interface or the BCP-underlayer interface, where the increased A-B contact area associated with the transition state is minimized, while the infinitely thick films cannot begin healing at an interface.

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

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

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

2014-03-14

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

The application of statistically designed experiments to resistance spot welding

NASA Technical Reports Server (NTRS)

Hafley, Robert A.; Hales, Stephen J.

1991-01-01

State-of-the-art Resistance Spot Welding (RSW) equipment has the potential to permit realtime monitoring of operations through advances in computerized process control. In order to realize adaptive feedback capabilities, it is necessary to establish correlations among process variables, welder outputs, and weldment properties. The initial step toward achieving this goal must involve assessment of the effect of specific process inputs and the interactions among these variables on spot weld characteristics. This investigation evaluated these effects through the application of a statistically designed experiment to the RSW process. A half-factorial, Taguchi L sub 16 design was used to understand and refine a RSW schedule developed for welding dissimilar aluminum-lithium alloys of different thickness. The baseline schedule had been established previously by traditional trial and error methods based on engineering judgment and one-factor-at-a-time studies. A hierarchy of inputs with respect to each other was established, and the significance of these inputs with respect to experimental noise was determined. Useful insight was gained into the effect of interactions among process variables, particularly with respect to weldment defects. The effects of equipment related changes associated with disassembly and recalibration were also identified. In spite of an apparent decrease in equipment performance, a significant improvement in the maximum strength for defect-free welds compared to the baseline schedule was achieved.

Design and Fabrication of Complex Scaffolds for Bone Defect Healing: Combined 3D Plotting of a Calcium Phosphate Cement and a Growth Factor-Loaded Hydrogel.

PubMed

Ahlfeld, Tilman; Akkineni, Ashwini Rahul; Förster, Yvonne; Köhler, Tino; Knaack, Sven; Gelinsky, Michael; Lode, Anja

2017-01-01

Additive manufacturing enables the fabrication of scaffolds with defined architecture. Versatile printing technologies such as extrusion-based 3D plotting allow in addition the incorporation of biological components increasing the capability to restore functional tissues. We have recently described the fabrication of calcium phosphate cement (CPC) scaffolds by 3D plotting of an oil-based CPC paste under mild conditions. In the present study, we have developed a strategy for growth factor loading based on multichannel plotting: a biphasic scaffold design was realised combining CPC with VEGF-laden, highly concentrated hydrogel strands. As hydrogel component, alginate and an alginate-gellan gum blend were evaluated; the blend exhibited a more favourable VEGF release profile and was chosen for biphasic scaffold fabrication. After plotting, two-step post-processing was performed for both, hydrogel crosslinking and CPC setting, which was shown to be compatible with both materials. Finally, a scaffold was designed and fabricated which can be applied for testing in a rat critical size femur defect. Optimization of CPC plotting enabled the fabrication of highly resolved structures with strand diameters of only 200 µm. Micro-computed tomography revealed a precise strand arrangement and an interconnected pore space within the biphasic scaffold even in swollen state of the hydrogel strands.

Application of Computer-Assisted Design and Manufacturing-Fabricated Artificial Bone in the Reconstruction of Craniofacial Bone Defects.

PubMed

Liang, Weiqiang; Yao, Yuanyuan; Huang, Zixian; Chen, Yuhong; Ji, Chenyang; Zhang, Jinming

2016-07-01

The purpose of this study was to evaluate the clinical application of individual craniofacial bone fabrications using computer-assisted design (CAD)-computer-assisted manufacturing technology for the reconstruction of craniofacial bone defects. A total of 8 patients diagnosed with craniofacial bone defects were enrolled in this study between May 2007 and August 2010. After computed tomography scans were obtained, the patients were fitted with artificial bone that was created using CAD software, rapid prototyping technology, and epoxy-methyl acrylate resin and hydroxyapatite materials. The fabrication was fixed to the defect area with titanium screws, and soft tissue defects were repaired if necessary. The fabrications were precisely fixed to the defect areas, and all wounds healed well without any serious complications except for 1 case with intraoral incision dehiscence, which required further treatment. Postoperative curative effects were retrospectively observed after 6 to 48 months, acceptable anatomic and cosmetic outcomes were obtained, and no rejections or other complications occurred. The use of CAD-computer-assisted manufacturing technology-assisted epoxy-methyl acrylate resin and hydroxyapatite composite artificial bone to treat patients with craniofacial bone defects could enable the precise reconstruction of these defects and obtain good anatomic and cosmetic outcomes. Copyright © 2016 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Topological Defects in Topological Insulators and Bound States at Topological Superconductor Vortices

PubMed Central

Parente, Vincenzo; Campagnano, Gabriele; Giuliano, Domenico; Tagliacozzo, Arturo; Guinea, Francisco

2014-01-01

The scattering of Dirac electrons by topological defects could be one of the most relevant sources of resistance in graphene and at the boundary surfaces of a three-dimensional topological insulator (3D TI). In the long wavelength, continuous limit of the Dirac equation, the topological defect can be described as a distortion of the metric in curved space, which can be accounted for by a rotation of the Gamma matrices and by a spin connection inherited with the curvature. These features modify the scattering properties of the carriers. We discuss the self-energy of defect formation with this approach and the electron cross-section for intra-valley scattering at an edge dislocation in graphene, including corrections coming from the local stress. The cross-section contribution to the resistivity, ρ, is derived within the Boltzmann theory of transport. On the same lines, we discuss the scattering of a screw dislocation in a two-band 3D TI, like Bi1−xSbx, and we present the analytical simplified form of the wavefunction for gapless helical states bound at the defect. When a 3D TI is sandwiched between two even-parity superconductors, Dirac boundary states acquire superconductive correlations by proximity. In the presence of a magnetic vortex piercing the heterostructure, two Majorana states are localized at the two interfaces and bound to the vortex core. They have a half integer total angular momentum each, to match with the unitary orbital angular momentum of the vortex charge. PMID:28788537

Topological Defects in Topological Insulators and Bound States at Topological Superconductor Vortices.

PubMed

Parente, Vincenzo; Campagnano, Gabriele; Giuliano, Domenico; Tagliacozzo, Arturo; Guinea, Francisco

2014-03-04

The scattering of Dirac electrons by topological defects could be one of the most relevant sources of resistance in graphene and at the boundary surfaces of a three-dimensional topological insulator (3D TI). In the long wavelength, continuous limit of the Dirac equation, the topological defect can be described as a distortion of the metric in curved space, which can be accounted for by a rotation of the Gamma matrices and by a spin connection inherited with the curvature. These features modify the scattering properties of the carriers. We discuss the self-energy of defect formation with this approach and the electron cross-section for intra-valley scattering at an edge dislocation in graphene, including corrections coming from the local stress. The cross-section contribution to the resistivity, ρ, is derived within the Boltzmann theory of transport. On the same lines, we discuss the scattering of a screw dislocation in a two-band 3D TI, like Bi 1-x Sb x , and we present the analytical simplified form of the wavefunction for gapless helical states bound at the defect. When a 3D TI is sandwiched between two even-parity superconductors, Dirac boundary states acquire superconductive correlations by proximity. In the presence of a magnetic vortex piercing the heterostructure, two Majorana states are localized at the two interfaces and bound to the vortex core. They have a half integer total angular momentum each, to match with the unitary orbital angular momentum of the vortex charge.

Vacancies and Vacancy-Mediated Self Diffusion in Cr 2 O 3 : A First-Principles Study

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

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.

Charged and neutral vacancies and vacancy mediated self diffusion in alpha-Cr2O3 were investigated using first principles density functional theory (DFT) and periodic supercell formalism. The vacancy formation energies of charged defects were calculated using the electrostatic finite-size corrections to account for electrostatic interactions between supercells and the corrections for the bandgap underestimation in DFT. Calculations predict that neutral oxygen (O) vacancies are predominant in chromium (Cr)-rich conditions and Cr vacancies with -2 charge state are the dominant defects in O-rich conditions. The charge transition levels of both O and Cr vacancies are deep within the bandgap indicating the stability ofmore » these defects. Transport calculations indicate that vacancy mediated diffusion along the basal plane has lower energy barriers for both O and Cr ions. The most favorable vacancy mediated self diffusion processes correspond to the diffusion of Cr ion in 3+ charge state and O ion in 2- state, respectively. Our calculations reveal that Cr triple defects comprised of Cr in octahedral interstitial sites with two adjacent Cr vacancies along the c-axis have a lower formation energy compared to that of charged Cr vacancies. The formation of such triple defects facilitate Cr self diffusion along the c-axis.« less

Fractal nematic colloids

NASA Astrophysics Data System (ADS)

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

2017-01-01

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

Defect Proliferation in Active Nematic Suspensions

NASA Astrophysics Data System (ADS)

Mishra, Prashant; Bowick, Mark J.; Giomi, Luca; Marchetti, M. Cristina

2014-03-01

The rich structure of equilibrium nematic suspensions, with their characteristic disclination defects, is modified when active forces come into play. The uniform nematic state is known to be unstable to splay (extensile) or bend (contractile) deformations above a critical activity. At even higher activity the flow becomes oscillatory and eventually turbulent. Using hydrodynamics, we classify the active flow regimes as functions of activity and order parameter friction for both contractile and extensile systems. The turbulent regime is marked by a non-zero steady state density of mobile defect pairs. The defect density itself scales with an ``active Ericksen number,'' defined as the ratio of the rate at which activity is injected into the system to the relaxation rate of orientational deformations. The work at Syracuse University was supported by the NSF on grant DMR-1004789 and by the Syracuse Soft Matter Program.

Optimization of figure of merit in label-free biochemical sensors by designing a ring defect coupled resonator

NASA Astrophysics Data System (ADS)

Huang, Lijun; Tian, Huiping; Yang, Daquan; Zhou, Jian; Liu, Qi; Zhang, Pan; Ji, Yuefeng

2014-12-01

We propose a high figure of merit (FOM) biochemical sensor by designing a ring defect coupled resonator (RDCR) based on photonic crystal (PhC) slab. The design consists of ring resonant cavity which is coupled in and out with ring and line defect PhC structure. By a three dimensional finite-different time-domain (3D-FDTD) method, we demonstrate that the quality (Q) factor is greatly enhanced by altering the radius of air holes inner the ring resonant cavity and adjusting the width of line defect waveguide. In this paper, we obtain a highest Q up to 107 through numerical calculations. Even though water absorption at telecom wavelength range and random roughness of fabrication is considered, a Q of ~33,517 can be achieved. Simultaneously the proposed sensor possesses sensitivity (S) of 330 nm/RIU (refractive index unit), resulting in FOM of ~8000. Moreover, a minimal detection limit (DL) is obtained as good as 1.24×10-5. Therefore, these suggest that this design is a promising candidate for label-free biochemical sensing in medical diagnosis, life science and environmental monitoring.

In situ simulated cardiac arrest exercises to detect system vulnerabilities.

PubMed

Barbeito, Atilio; Bonifacio, Alberto; Holtschneider, Mary; Segall, Noa; Schroeder, Rebecca; Mark, Jonathan

2015-06-01

Sudden cardiac arrest is the leading cause of death in the United States. Despite new therapies, progress in this area has been slow, and outcomes remain poor even in the hospital setting, where providers, drugs, and devices are readily available. This is partly attributed to the quality of resuscitation, which is an important determinant of survival for patients who experience cardiac arrest. Systems problems, such as deficiencies in the physical space or equipment design, hospital-level policies, work culture, and poor leadership and teamwork, are now known to contribute significantly to the quality of resuscitation provided. We describe an in situ simulation-based quality improvement program that was designed to continuously monitor the cardiac arrest response process for hazards and defects and to detect opportunities for system optimization. A total of 72 simulated unannounced cardiac arrest exercises were conducted between October 2010 and September 2013 at various locations throughout our medical center and at different times of the day. We detected several environmental, human-machine interface, culture, and policy hazards and defects. We used the Systems Engineering Initiative for Patient Safety (SEIPS) model to understand the structure, processes, and outcomes related to the hospital's emergency response system. Multidisciplinary solutions were crafted for each of the hazards detected, and the simulation program was used to iteratively test the redesigned processes before implementation in real clinical settings. We describe an ongoing program that uses in situ simulation to identify and mitigate latent hazards and defects in the hospital emergency response system. The SEIPS model provides a framework for describing and analyzing the structure, processes, and outcomes related to these events.

Ab initio theory of the N2V defect in diamond for quantum memory implementation

NASA Astrophysics Data System (ADS)

Udvarhelyi, Péter; Thiering, Gergő; Londero, Elisa; Gali, Adam

2017-10-01

The N2V defect in diamond is characterized by means of ab initio methods relying on density functional theory calculated parameters of a Hubbard model Hamiltonian. It is shown that this approach appropriately describes the energy levels of correlated excited states induced by this defect. By determining its critical magneto-optical parameters, we propose to realize a long-living quantum memory by N2V defect, i.e., H 3 color center in diamond.

Analysis of Defects in Trouser Manufacturing: Development of a Knowledge-Based Framework. Volume 1. Final Technical Report

DTIC Science & Technology

1992-02-28

the primary goal of instituting remedial measures. Many apparel plants, as they function today in the United States, do not maintain an accu- rate...type of usage is the primary functional mode for FDAS. Alternatively, the user could suggest a defect to FDAS and let it find out if the defect is...Endeavor The primary objective of the research effort is to develop a knowledge-based system to an- alyze the causes of defects in apparel

Effects of Casting Conditions on End Product Defects in Direct Chill Casted Hot Rolling Ingots

NASA Astrophysics Data System (ADS)

Yorulmaz, Arda; Yüksel, Çağlar; Erzi, Eraz; Dispinar, Derya

Direct chill casting is a reliable casting process for almost any wrought aluminum alloy for subsequent deformation via hot rolling to supply vital industries such as aerospace, automotive, construction, packaging and maritime. While some defects occur during casting, like hot tearing, some others like surface defect causing blisters, appear after hot rolling process or annealing after final cold rolling steps. It was found that some of these defects are caused by melt impurities formed from entrained folded aluminum oxides or bifilms. A study in a hot rolling casting facility was carried out with different melt cleaning practices, launder and molten metal transferring designs. Bifilm index and reduced pressure test were used for determining melt cleanliness measurement. It was found that porous plug gas diffusons for degassing are more effective than lance type degassers and a design towards less turbulent molten metal flow from furnace to mould cavity are necessary for reducing defects caused by bifilms.

Ultrafast carrier dynamics in a GaN/Al 0.18Ga0.82N superlattice

NASA Astrophysics Data System (ADS)

Mahler, Felix; Tomm, Jens W.; Reimann, Klaus; Woerner, Michael; Elsaesser, Thomas; Flytzanis, Christos; Hoffmann, Veit; Weyers, Markus

2018-04-01

Relaxation processes of photoexcited carriers in a GaN /Al0.18Ga0.82N superlattice are studied in femtosecond spectrally resolved reflectivity measurements at ambient temperature. The transient reflectivity reveals electron trapping into defect states close to the conduction-band minimum with a 150-200 fs time constant, followed by few-picosecond carrier cooling. A second slower trapping process into a different manifold of defect states is observed on a time scale of approximately 10 ps. Our results establish the prominent role of structural defects and disorder for ultrafast carrier dynamics in nitride semiconductor structures.

Exploring the seasonality of birth defects in the New York State Congenital Malformations Registry.

PubMed

Caton, Alissa R

2012-06-01

Examining seasonal patterns of birth defects may help to identify environmental risk factors. Because the teratogenic window for most birth defects is during gestational weeks 3 to 8, investigating exposures closer to the timing of conception is important. However, studies are usually based on month of birth, which is not the biologically relevant exposure period and does not account for differences in gestational length. We aimed to determine whether the occurrence of birth defects varied by month of conception using the population-based New York State Congenital Malformations Registry (CMR). We merged live birth certificates (n = 2,044,091) with CMR records for mothers residing in New York State, excluding New York City, for the years 1992 through 2006. We categorized birth defects according to the National Birth Defects Prevention Network guidelines and performed Cochran-Armitage trend, Hewitt-Rogerson, and Walter-Elwood tests on month of conception and chi-square tests on season of conception. We graphed seasonal distributions and seasonality test results. We performed stratified analyses by maternal and infant characteristics. Of 42 groups examined in the 15-year period, 24 (57%) had at least one statistically significant test result, suggesting a trend or seasonal variation: Cochran-Armitage (18), Hewitt-Rogerson (17), Walter-Elwood (4), and chi-square (5). Ventricular septal defect showed the most consistent results: Cochran-Armitage (p = 0.0006), Hewitt-Rogerson (December to May; p = 0.0130), Walter-Elwood (March 14; p = 0.0027), and chi-square (winter; p = 0.0046). Congenital cataract, pulmonary valve atresia/stenosis, coarctation of aorta, biliary atresia, and renal agenesis or hypoplasia had at least three significant tests. These results may help to generate hypotheses about environmental factors that vary by season for further studies. Copyright © 2012 Wiley Periodicals, Inc.

Role of associated defects in oxygen ion conduction and surface exchange reaction for epitaxial samaria-doped ceria thin films as catalytic coatings

DOE PAGES

Yang, Nan; Shi, Yanuo; Schweiger, Sebastian; ...

2016-05-18

Samaria-doped ceria (SDC) thin films are particularly important for energy and electronic applications such as micro-solid oxide fuel cells, electrolysers, sensors and memristors. In this paper we report a comparative study investigating ionic conductivity and surface reactions for well-grown epitaxial SDC films varying the samaria doping concentration. With increasing doping above 20 mol% of samaria, an enhancement in the defect association was observed by Raman spectroscopy. The role of such defect associates on the films` oxygen ion transport and exchange was investigated by electrochemical impedance spectroscopy and electrochemical strain microscopy (ESM). The measurements reveal that the ionic transport has amore » sharp maximum in ionic conductivity and drop in its activation energy down to 0.6 eV for 20 mol% doping. Increasing the doping concentration further up to 40 mol%, raises the activation energy substantially by a factor of two. We ascribe the sluggish transport kinetics to the "bulk" ionic-near ordering in case of the heavily doped epitaxial films. Analysis of the ESM first order reversal curve measurements indicate that these associated defects may have a beneficial role by lowering the activation of the oxygen exchange "surface" reaction for heavily doped 40 mol% of samaria. We reveal in a model experiment through a solid solution series of samaria doped ceria epitaxial films that the occurrence of associate defects in the bulk affects the surface charging state of the films to increase the exchange rates. Lastly, the implication of these findings are the design of coatings with tuned oxygen surface exchange by control of bulk associate clusters for future electro-catalytic applications.« less

On the monitoring and implications of growing damages caused by manufacturing defects in composite structures

NASA Astrophysics Data System (ADS)

Schagerl, M.; Viechtbauer, C.; Hörrmann, S.

2015-07-01

Damage tolerance is a classical safety concept for the design of aircraft structures. Basically, this approach considers possible damages in the structure, predicts the damage growth under applied loading conditions and predicts the following decrease of the structural strength. As a fundamental result the damage tolerance approach yields the maximum inspection interval, which is the time a damage grows from a detectable to a critical level. The above formulation of the damage tolerance safety concept targets on metallic structures where the damage is typically a simple fatigue crack. Fiber-reinforced polymers show a much more complex damage behavior, such as delaminationsin laminated composites. Moreover, progressive damage in composites is often initiated by manufacturing defects. The complex manufacturing processes for composite structures almost certainly yield parts with defects, e.g. pores in the matrix or undulations of fibers. From such defects growing damages may start after a certain time of operation. The demand to simplify or even avoid the inspection of composite structures has therefore led to a comeback of the traditional safe-life safety concept. The aim of the so-called safe-life flaw tolerance concept is a structure that is capable of carrying the static loads during operation, despite significant damages and after a representative fatigue load spectrum. A structure with this property does not need to be inspected, respectively monitored at all during its service life. However, its load carrying capability is thereby not fully utilized. This article presents the possible refinement of the state-of-the-art safe-life flaw tolerance concept for composite structures towards a damage tolerance approach considering also the influence of manufacturing defects on damage initiation and growth. Based on fundamental physical relations and experimental observations the challenges when developing damage growth and residual strength curves are discussed.

Combining DFT, Cluster Expansions, and KMC to Model Point Defects in Alloys

NASA Astrophysics Data System (ADS)

Modine, N. A.; Wright, A. F.; Lee, S. R.; Foiles, S. M.; Battaile, C. C.; Thomas, J. C.; van der Ven, A.

In an alloy, defect energies are sensitive to the occupations of nearby atomic sites, which leads to a distribution of defect properties. When radiation-induced defects diffuse from their initially non-equilibrium locations, this distribution becomes time-dependent. The defects can become trapped in energetically favorable regions of the alloy leading to a diffusion rate that slows dramatically with time. Density Functional Theory (DFT) allows the accurate determination of ground state and transition state energies for a defect in a particular alloy environment but requires thousands of processing hours for each such calculation. Kinetic Monte-Carlo (KMC) can be used to model defect diffusion and the changing distribution of defect properties but requires energy evaluations for millions of local environments. We have used the Cluster Expansion (CE) formalism to ``glue'' together these seemingly incompatible methods. The occupation of each alloy site is represented by an Ising-like variable, and products of these variables are used to expand quantities of interest. Once a CE is fit to a training set of DFT energies, it allows very rapid evaluation of the energy for an arbitrary configuration, while maintaining the accuracy of the underlying DFT calculations. These energy evaluations are then used to drive our KMC simulations. We will demonstrate the application of our DFT/MC/KMC approach to model thermal and carrier-induced diffusion of intrinsic point defects in III-V alloys. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE.

Modeling of defect-tolerant thin multi-junction solar cells for space application

NASA Astrophysics Data System (ADS)

Mehrotra, A.; Alemu, A.; Freundlich, A.

2012-02-01

Using drift-diffusion model and considering experimental III-V material parameters, AM0 efficiencies of lattice-matched multijunction solar cells have been calculated and the effects of dislocations and radiation damage have been analyzed. Ultrathin multi-junction devices perform better in presence of dislocations or/and radiation harsh environment compared to conventional thick multijunction devices. Our results show that device design optimization of Ga0.51In0.49P/GaAs multijunction devices leads to an improvement in EOL efficiency from 4.8%, for the conventional thick device design, to 12.7%, for the EOL optimized thin devices. In addition, an optimized defect free lattice matched Ga0.51In0.49P/GaAs solar cell under 1016cm-2 1Mev equivalent electron fluence is shown to give an EOL efficiency of 12.7%; while a Ga0.51In0.49P/GaAs solar cell with 108 cm-2 dislocation density under 1016cm-2 electron fluence gives an EOL efficiency of 12.3%. The results suggest that by optimizing the device design, we can obtain nearly the same EOL efficiencies for high dislocation metamorphic solar cells and defect filtered metamorphic multijunction solar cells. The findings relax the need for thick or graded buffer used for defect filtering in metamorphic devices. It is found that device design optimization allows highly dislocated devices to be nearly as efficient as defect free devices for space applications.

Modeling and optimal designs for dislocation and radiation tolerant single and multijunction solar cells

NASA Astrophysics Data System (ADS)

Mehrotra, A.; Alemu, A.; Freundlich, A.

2011-02-01

Crystalline defects (e.g. dislocations or grain boundaries) as well as electron and proton induced defects cause reduction of minority carrier diffusion length which in turn results in degradation of efficiency of solar cells. Hetro-epitaxial or metamorphic III-V devices with low dislocation density have high BOL efficiencies but electron-proton radiation causes degradation in EOL efficiencies. By optimizing the device design (emitter-base thickness, doping) we can obtain highly dislocated metamorphic devices that are radiation resistant. Here we have modeled III-V single and multi junction solar cells using drift and diffusion equations considering experimental III-V material parameters, dislocation density, 1 Mev equivalent electron radiation doses, thicknesses and doping concentration. Thinner device thickness leads to increment in EOL efficiency of high dislocation density solar cells. By optimizing device design we can obtain nearly same EOL efficiencies from high dislocation solar cells than from defect free III-V multijunction solar cells. As example defect free GaAs solar cell after optimization gives 11.2% EOL efficiency (under typical 5x1015cm-2 1 MeV electron fluence) while a GaAs solar cell with high dislocation density (108 cm-2) after optimization gives 10.6% EOL efficiency. The approach provides an additional degree of freedom in the design of high efficiency space cells and could in turn be used to relax the need for thick defect filtering buffer in metamorphic devices.

Defect tolerance in resistor-logic demultiplexers for nanoelectronics.

PubMed

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

2006-05-28

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

Segmentation, surface rendering, and surface simplification of 3-D skull images for the repair of a large skull defect

NASA Astrophysics Data System (ADS)

Wan, Weibing; Shi, Pengfei; Li, Shuguang

2009-10-01

Given the potential demonstrated by research into bone-tissue engineering, the use of medical image data for the rapid prototyping (RP) of scaffolds is a subject worthy of research. Computer-aided design and manufacture and medical imaging have created new possibilities for RP. Accurate and efficient design and fabrication of anatomic models is critical to these applications. We explore the application of RP computational methods to the repair of a pediatric skull defect. The focus of this study is the segmentation of the defect region seen in computerized tomography (CT) slice images of this patient's skull and the three-dimensional (3-D) surface rendering of the patient's CT-scan data. We see if our segmentation and surface rendering software can improve the generation of an implant model to fill a skull defect.

Simulation and design of ECT differential bobbin probes for the inspection of cracks in bolts

NASA Astrophysics Data System (ADS)

Ra, S. W.; Im, K. H.; Lee, S. G.; Kim, H. J.; Song, S. J.; Kim, S. K.; Cho, Y. T.; Woo, Y. D.; Jung, J. A.

2015-12-01

All Various defects could be generated in bolts for a use of oil filters for the manufacturing process and then may affect to the safety and quality in bolts. Also, fine defects may be imbedded in oil filter system during multiple forging manufacturing processes. So it is very important that such defects be investigated and screened during the multiple manufacturing processes. Therefore, in order effectively to evaluate the fine defects, the design parameters for bobbin-types were selected under a finite element method (FEM) simulations and Eddy current testing (ECT). Especially the FEM simulations were performed to make characterization in the crack detection of the bolts and the parameters such as number of turns of the coil, the coil size and applied frequency were calculated based on the simulation results.

Fault tolerant system based on IDDQ testing

NASA Astrophysics Data System (ADS)

Guibane, Badi; Hamdi, Belgacem; Mtibaa, Abdellatif; Bensalem, Brahim

2018-06-01

Offline test is essential to ensure good manufacturing quality. However, for permanent or transient faults that occur during the use of the integrated circuit in an application, an online integrated test is needed as well. This procedure should ensure the detection and possibly the correction or the masking of these faults. This requirement of self-correction is sometimes necessary, especially in critical applications that require high security such as automotive, space or biomedical applications. We propose a fault-tolerant design for analogue and mixed-signal design complementary metal oxide (CMOS) circuits based on the quiescent current supply (IDDQ) testing. A defect can cause an increase in current consumption. IDDQ testing technique is based on the measurement of power supply current to distinguish between functional and failed circuits. The technique has been an effective testing method for detecting physical defects such as gate-oxide shorts, floating gates (open) and bridging defects in CMOS integrated circuits. An architecture called BICS (Built In Current Sensor) is used for monitoring the supply current (IDDQ) of the connected integrated circuit. If the measured current is not within the normal range, a defect is signalled and the system switches connection from the defective to a functional integrated circuit. The fault-tolerant technique is composed essentially by a double mirror built-in current sensor, allowing the detection of abnormal current consumption and blocks allowing the connection to redundant circuits, if a defect occurs. Spices simulations are performed to valid the proposed design.

Quality Tools and TRIZ Based Quality Improvement Case Study at PT ‘X’ A Plastic Moulding Manufacturing Industry

NASA Astrophysics Data System (ADS)

Wirawan, Christina; Chandra, Fory

2016-02-01

Theory of Inventive Problem Solving (TRIZ) is a creative encouraging problem solving method. TRIZ is prepared by Altshuller for product design. Altshuller prepared contradiction matrix and suggestion to solve contradictions usually occur in product design. This paper try to combine TRIZ with quality tools such as Pareto and Fault Tree Analysis (FTA) to solve contradiction in quality improvement problem, neither than product design problem. Pareto used to identify defect priority, FTA used to analysis and identify root cause of defect. When there is contradiction in solving defect causes, TRIZ used to find creative problem solving. As a case study, PT ’X’, a plastic molding manufacturing industry was taken. PT ‘X’ using traditional press machine to produce plastic thread cone. There are 5 defect types that might occur in plastic thread cone production, incomplete form, dirty, mottle, excessive form, rugged. Research about quality improvement effort using DMAIC at PT ‘X’ have been done by Fory Candra. From this research, defect types, priority, root cause from FTA, recommendation from FMEA. In this research, from FTA reviewed, contradictions found among causes troublesome quality improvement efforts. TRIZ used to solve the contradictions and quality improvement effort can be made effectively.

Exploring the effects of defects on DT burn, the DIME experiment and measuring capsule zero-order hydrodynamics using Polar direct drive

NASA Astrophysics Data System (ADS)

Magelssen, G. R.; Bradley, P. A.; Tregillis, I. L.; Schmitt, M. J.; Dodd, E. S.; Wysocki, F. J.; Hsu, S. C.; Cobble, J.; Batha, S. H.; Defriend Obrey, K. A.

2010-11-01

Small capsule perturbations may impact our ability to achieve high yields on NIF. Diagnosing the hydrodynamic development and the effect of defects on burn will be difficult. Los Alamos is developing a program to better understand the hydrodynamics of defects and how they influence burn. Our first effort to study the effects of defects was on Omega. Both thin-shelled (exploding pusher) and thick-shelled capsules were shot and the results published [1]. In this work we add experimental shots done recently on Omega. These shots were to complete the study of how the width and depth of the defect affects DT yield. Our AMR code is used to predict the yield. Comparisons between capsule and experimental yields will be given. Experiments are also being designed for Polar direct drive. Our first experiments are being designed to understand the zero-order hydrodynamics with Polar direct drive. Capsules about a millimeter in radius are being designed with one to two dopants in the CH shell for radiograph and MMI usage. Also, to minimize the effect of mix on the radius versus time trajectory, some capsules will replace the DT with Xe.[0pt] [1] Magelssen G. R. et al., to be published in the 2009 IFSA proceedings.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

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

Liu, Yanhong; Gao, Ping; Li, La

Pure Si{sub x}C{sub 1−x} (x > 0.5) and B-containing Si{sub x}C{sub 1−x} (x > 0.5) based resistive switching devices (RSD) with the structure of Ag/Si{sub x}C{sub 1−x}/p-Si were fabricated and their switching characteristics and mechanism were investigated systematically. Percolation mechanism through trapping/ de-trapping at defect states was suggested for the switching process. Through the introduction of B atoms into Si{sub x}C{sub 1−x}, the density of defect states was reduced, then, the SET and RESET voltages were also decreased. Based on the percolation theory, the dependence of SET/RESET voltage on the density of defect states was analyzed. These results supply a deep understanding for themore » SiC-based RSD, which have a potential application in extreme ambient conditions.« less

Defect stability in thorium monocarbide: An ab initio study

NASA Astrophysics Data System (ADS)

Wang, Chang-Ying; Han, Han; Shao, Kuan; Cheng, Cheng; Huai, Ping

2015-09-01

The elastic properties and point defects of thorium monocarbide (ThC) have been studied by means of density functional theory based on the projector-augmented-wave method. The calculated electronic and elastic properties of ThC are in good agreement with experimental data and previous theoretical results. Five types of point defects have been considered in our study, including the vacancy defect, interstitial defect, antisite defect, schottky defect, and composition-conserving defect. Among these defects, the carbon vacancy defect has the lowest formation energy of 0.29 eV. The second most stable defect (0.49 eV) is one of composition-conserving defects in which one carbon is removed to another carbon site forming a C2 dimer. In addition, we also discuss several kinds of carbon interstitial defects, and predict that the carbon trimer configuration may be a transition state for a carbon dimer diffusion in ThC. Project supported by the International S&T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant No. 91326105), the National Basic Research Program of China (Grant No. 2010CB934504), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).

Computer programs for eddy-current defect studies

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

Pate, J. R.; Dodd, C. V.

Several computer programs to aid in the design of eddy-current tests and probes have been written. The programs, written in Fortran, deal in various ways with the response to defects exhibited by four types of probes: the pancake probe, the reflection probe, the circumferential boreside probe, and the circumferential encircling probe. Programs are included which calculate the impedance or voltage change in a coil due to a defect, which calculate and plot the defect sensitivity factor of a coil, and which invert calculated or experimental readings to obtain the size of a defect. The theory upon which the programs aremore » based is the Burrows point defect theory, and thus the calculations of the programs will be more accurate for small defects. 6 refs., 21 figs.« less

Composite components under impact load and effects of defects on the loading capacity. [Alpha Jet tail assembly

NASA Technical Reports Server (NTRS)

Aoki, R.; Wurzel, D.

1979-01-01

Investigations were carried out on a horizontal tail assembly made of carbon fiber reinforced plastic for the Alpha Jet. The possibility of obtaining a leading edge nose design lighter but not more expensive than a metal version was studied. An important consideration was sufficient resistance of the leading edge against impact of stones and hailstones combined with high degree of stiffness. The improvement of energy reception characteristics of the materials through suitable laminate design was considered. Since certain defects occur in structural components, the effects of such defects on the characteristics of the parts were also studied.

First-principles calculation of defect free energies: General aspects illustrated in the case of bcc Fe

NASA Astrophysics Data System (ADS)

Murali, D.; Posselt, M.; Schiwarth, M.

2015-08-01

Modeling of nanostructure evolution in solids requires comprehensive data on the properties of defects such as the vacancy and foreign atoms. Since most processes occur at elevated temperatures, not only the energetics of defects in the ground state, but also their temperature-dependent free energies must be known. The first-principles calculation of contributions of phonon and electron excitations to free formation, binding, and migration energies of defects is illustrated in the case of bcc Fe. First of all, the ground-state properties of the vacancy, the foreign atoms Cu, Y, Ti, Cr, Mn, Ni, V, Mo, Si, Al, Co, O, and the O-vacancy pair are determined under constant volume (CV) as well as zero-pressure (ZP) conditions, and relations between the results of both kinds of calculations are discussed. Second, the phonon contribution to defect free energies is calculated within the harmonic approximation using the equilibrium atomic positions determined in the ground state under CV and ZP conditions. In most cases, the ZP-based free formation energy decreases monotonously with temperature, whereas for CV-based data both an increase and a decrease were found. The application of a quasiharmonic correction to the ZP-based data does not modify this picture significantly. However, the corrected data are valid under zero-pressure conditions at higher temperatures than in the framework of the purely harmonic approach. The difference between CV- and ZP-based data is mainly due to the volume change of the supercell since the relative arrangement of atoms in the environment of the defects is nearly identical in the two cases. A simple transformation similar to the quasiharmonic approach is found between the CV- and ZP-based frequencies. Therefore, it is not necessary to calculate these quantities and the corresponding defect free energies separately. In contrast to ground-state energetics, the CV- and ZP-based defect free energies do not become equal with increasing supercell size. Third, it was found that the contribution of electron excitations to the defect free energy can lead to an additional deviation of the total free energy from the ground-state value or can compensate the deviation caused by the phonon contribution. Finally, self-diffusion via the vacancy mechanism is investigated. The ratio of the respective CV- and ZP-based results for the vacancy diffusivity is nearly equal to the reciprocal of that for the equilibrium concentration. This behavior leads to almost identical CV- and ZP-based values for the self-diffusion coefficient. Obviously, this agreement is accidental. The consideration of the temperature dependence of the magnetization yields self-diffusion data in very good agreement with experiments.

Surface-induced magnetism of the solids with impurities and vacancies

NASA Astrophysics Data System (ADS)

Morozovska, A. N.; Eliseev, E. A.; Glinchuk, M. D.; Blinc, R.

2011-04-01

Using the quantum-mechanical approach combined with the image charge method we calculated the lowest energy levels of the impurities and neutral vacancies with two electrons or holes located in the vicinity of flat surface of different solids. Unexpectedly we obtained that the magnetic triplet state is the ground state of the impurities and neutral vacancies in the vicinity of surface, while the nonmagnetic singlet is the ground state in the bulk, for e.g. He atom, Li+, Be++ ions, etc. The energy difference between the lowest triplet and singlet states strongly depends on the electron (hole) effective mass μ, dielectric permittivity of the solid ε2 and the distance from the surface z0. For z0=0 and defect charge ∣Z∣=2 the energy difference is more than several hundreds of Kelvins at μ=(0.5-1)me and ε2=2-10, more than several tens of Kelvins at μ=(0.1-0.2)me and ε2=5-10, and not more than several Kelvins at μ<0.1me and ε2>15 (me is the mass of a free electron). Pair interaction of the identical surface defects (two doubly charged impurities or vacancies with two electrons or holes) reveals the ferromagnetic spin state with the maximal exchange energy at the definite distance between the defects (∼5-25 nm). We estimated the critical concentration of surface defects and transition temperature of ferromagnetic long-range order appearance in the framework of percolation and mean field theories, and RKKY approach for semiconductors like ZnO. We obtained that the nonmagnetic singlet state is the lowest one for a molecule with two electrons formed by a pair of identical surface impurities (like surface hydrogen), while its next state with deep enough negative energy minimum is the magnetic triplet. The metastable magnetic triplet state appeared for such molecule at the surface indicates the possibility of metastable ortho-states of the hydrogen-like molecules, while they are absent in the bulk of material. The two series of spectral lines are expected due to the coexistence of ortho- and para-states of the molecules at the surface. We hope that obtained results could provide an alternative mechanism of the room temperature ferromagnetism observed in TiO2, HfO2, and In2O3 thin films with contribution of the oxygen vacancies. We expect that both anion and cation vacancies near the flat surface act as magnetic defects because of their triplet ground state and Hund's rule. The theoretical forecasts are waiting for experimental justification allowing for the number of the defects in the vicinity of surface is much larger than in the bulk of as-grown samples.

Combination prosthetic design providing a superior retention for mid-facial defect rehabilitation: A Case Report

PubMed Central

Nilanonth, Supassra; Shakya, Prana; Srithavaj, Theerathavaj

2017-01-01

Large maxillofacial defects from malignant tumor treatment are rarely rehabilitated by surgical reconstruction alone. Ameloblastic carcinoma, a rare aggressive odontogenic malignant tumor, requires wide surgical excision to gain a tumor-free margin. In the post-surgical defect, prosthetic rehabilitation is the treatment of choice to restore function and esthetics. Moreover, an intra-oral prosthesis such as an obturator restores speech, mastication and deglutition. Retention of the obturator is a major problem while rehabilitating large defects. The existing anatomical structures from the defect with the help of magnet attachments are suitable to enhance retention, stability and support of the prostheses. This case report presents a patient with an intraoral and extra-oral combination defect following surgical resection of ameloblastic carcinoma and describes the prosthetic techniques and design considerations for a magnet-retained obturator and mid-facial prosthesis. An implant-retained mid-facial prosthesis was fabricated. The retention of combined prostheses was obtained from the remaining right posterior teeth only. The patient had an unfavorable defect due to the large size and presence of scar contracture that vertically tends to dislodge the obturator. Magnet attachments were used to combine the facial and oral prosthesis, minimize the vertical dislodging forces and enhance retention. In addition, the retention was also gained from the scar band at lower border of mid-facial defect that avoided the need for more implants surgery. Magnet attachment with anatomical structure of the mid-facial defect provides an acceptable means of retention in large extraoral-intraoral combinations defects, improving the function, esthetic and the patients’ quality of life. Key words:Mid-facial prosthesis, obturator, magnet attachment, maxillectomy. PMID:28469829

High repetition ration solid state switched CO2 TEA laser employed in industrial ultrasonic testing of aircraft parts

NASA Astrophysics Data System (ADS)

von Bergmann, Hubertus; Morkel, Francois; Stehmann, Timo

2015-02-01

Laser Ultrasonic Testing (UT) is an important technique for the non-destructive inspection of composite parts in the aerospace industry. In laser UT a high power, short pulse probe laser is scanned across the material surface, generating ultrasound waves which can be detected by a second low power laser system and are used to draw a defect map of the part. We report on the design and testing of a transversely excited atmospheric pressure (TEA) CO2 laser system specifically optimised for laser UT. The laser is excited by a novel solid-state switched pulsing system and utilises either spark or corona preionisation. It provides short output pulses of less than 100 ns at repetition rates of up to 1 kHz, optimised for efficient ultrasonic wave generation. The system has been designed for highly reliable operation under industrial conditions and a long term test with total pulse counts in excess of 5 billion laser pulses is reported.

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.

Role of defects in ferromagnetism in Zn1-xCoxO : A hybrid density-functional study

NASA Astrophysics Data System (ADS)

Patterson, C. H.

2006-10-01

Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p - or n -type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low defect density and x in the range used in experimental thin-film studies exhibits ferromagnetism only at very low temperatures. Therefore defects in thin-film samples or nanocrystals may play an important role in promoting magnetic interactions between Co ions in Zn1-xCoxO . The mechanism of exchange coupling induced by defect states is considered and compared to a model for ferromagnetism in dilute magnetic semiconductors [T. Dietl , Science 287, 1019 (2000)]. The electronic structures of Co substituted for Zn in ZnO, Zn, and O vacancies, substituted N, and interstitial Zn in ZnO were calculated using the B3LYP hybrid density functional in a supercell. The B3LYP functional predicts a band gap of 3.34eV for bulk ZnO, close to the experimental value of 3.47eV . Occupied minority-spin Co 3d levels are at the top of the valence band and unoccupied levels lie above the conduction-band minimum. Majority-spin Co 3d levels hybridize strongly with bulk ZnO states. The neutral O vacancy defect level is predicted to lie deep in the band gap, and interstitial Zn is predicted to be a deep donor. The Zn vacancy is a deep acceptor, and the acceptor level for substituted N is at midgap. The possibility that p - or n -type dopants promote exchange coupling of Co ions was investigated by computing the total energies of magnetic states of ZnO supercells containing two Co ions and an oxygen vacancy, substituted N, or interstitial Zn in various charge states. The neutral N defect and the singly positively charged O vacancy are the only defects which strongly promote ferromagnetic exchange coupling of Co ions at intermediate range. Total energy calculations on supercells containing two O vacancies and one Zn vacancy clearly show that pairs of singly positively charged O vacancies are unstable with respect to dissociation into neutral and doubly positively charged vacancies; the oxygen vacancy is a “negative U ” defect. This apparently precludes simple charged O vacancies as a mediator of ferromagnetism in Zn1-xCoxO .

Fractal nematic colloids

PubMed Central

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

2017-01-01

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

Amorphization due to electronic energy deposition in defective strontium titanate

DOE PAGES

Xue, Haizhou; Zarkadoula, Eva; Liu, Peng; ...

2017-01-27

The synergistic interaction of electronic energy loss by ions with ion-induced defects created by elastic nuclear scattering processes has been investigated for single crystal SrTiO 3. An initial pre-damaged defect state corresponding to a relative disorder level of 0.10–0.15 sensitizes the SrTiO 3 to amorphous track formation along the ion path of 12 and 20 MeV Ti, 21 MeV Cl and 21 MeV Ni ions, where Ti, Cl and Ni ions otherwise do not produce amorphous or damage tracks in pristine SrTiO 3. The electronic stopping power threshold for amorphous ion track formation is found to be 6.7 keV/nm formore » the pre-damaged defect state studied in this work. Lastly, these results suggest the possibility of selectively producing nanometer scale, amorphous ion tracks in thin films of epitaxial SrTiO 3.« less

Triple Plate Mold Final Report: Optimization of the Mold Design and Casting Parameters for a Thin U-10mo Fuel Casting

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

Aikin, Jr., Robert M.

This work describes the experiments and modeling that have been performed to improve and try to optimize the simultaneous casting of three plates of U-10wt%Mo in a single coil vacuum induction melting (VIM) furnace. The plates of interest are 280 mm wide by 203 mm tall by 5 mm thick (11" x 8" x 0.2"). The initial mold design and processing parameters were supplied by Y-12. The mold and casting cavity were instrumented with a number of thermocouples, and the casting performed to determine the thermal history of the mold and casting. The resulting cast plates were radiographed and numerousmore » defects identified. Metallography was performed to help identify the nature of the radiographically observed defects. This information was then used to validate a mold filling and solidification model of that casting. Based on the initial casting, good casting design practice, and process simulation of several design alternatives, a revised design was developed with the goal of minimizing casting defects such as porosity. The redesigned mold had a larger hot-top and had its long axis along the horizontal direction. These changes were to try to develop a strong thermal gradient conducive to good feeding and minimization of micro- and macroporosity in the cast plates. An instrumented casting was then performed with the revised mold design and a linear distributor. This design yielded cast plates with significantly less radiographically identified defects. Unfortunately, there was significant variation in plate weight and metal content in their hot-tops. Fluid flow simulations were then performed on this mold/distributor design. This helped identify the issue with this linear distributor design. Additional simulations were then performed on candidate distributor redesigns and a preferred distributor annular design was identified. This improved annular design was used to produce a third instrumented casting with favorable results. These refined designs and their radiographic characterization are compared to the initial design.« less

Interconversion of intrinsic defects in SrTi O3(001 )

NASA Astrophysics Data System (ADS)

Chambers, S. A.; Du, Y.; Zhu, Z.; Wang, J.; Wahila, M. J.; Piper, L. F. J.; Prakash, A.; Yue, J.; Jalan, B.; Spurgeon, S. R.; Kepaptsoglou, D. M.; Ramasse, Q. M.; Sushko, P. V.

2018-06-01

Photoemission features associated with states deep in the band gap of n -SrTi O3(001 ) are found to be ubiquitous in bulk crystals and epitaxial films. These features are present even when there is little signal near the Fermi level. Analysis reveals that these states are deep-level traps associated with defects. The commonly investigated defects—O vacancies, Sr vacancies, and aliovalent impurity cations on the Ti sites—cannot account for these features. Rather, ab initio modeling points to these states resulting from interstitial oxygen and its interaction with donor electrons.

Chemical Defects and Electronics States in Organic Semiconductors

DTIC Science & Technology

2008-05-31

from interacting with organic semiconductor devices. An expt./theoretical study of 0 2 in pentacene indicated that a positive gate voltage can cause...dissociative interaction of02 with pentacene . 1S. SUBJECT TERMS organic semiconductors, PBTIT, P3HT, PQT, polythiophenes, pentacene , defects...investigations of the interaction of02 molecules with pentacene were performed. Based on calculations of formation energies of charged defects a model was

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

PubMed

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

2017-08-24

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

First principles study of the effect of hydrogen annealing on SiC MOSFETs

NASA Astrophysics Data System (ADS)

Chokawa, Kenta; Shiraishi, Kenji

2018-04-01

The high interfacial defect density at SiC/SiO2 interfaces formed by thermal oxidation is a crucial problem. Although post-oxidation annealing with H2 can reduce the defect density, some defects still remain at the interface. We investigate the termination of vacancy defects by H atoms at the 4H-SiC(0001)/SiO2 interface and discuss the stability of these H termination structures. Si vacancy defects can be terminated with H atoms to reduce the defect density, and the termination structure is stable even at high temperatures. On the other hand, it is difficult to terminate C vacancy defects with H atoms because the H atoms desorb from the dangling bonds and form H2 molecules below room temperature. However, we confirm that N atoms are effective for reducing the C vacancy defect states. Therefore, a defect-less interface can be achieved by post-oxidation annealing with H2 and N2.

Identification of biochemical features of defective Coffea arabica L. beans.

PubMed

Casas, María I; Vaughan, Michael J; Bonello, Pierluigi; McSpadden Gardener, Brian; Grotewold, Erich; Alonso, Ana P

2017-05-01

Coffee organoleptic properties are based in part on the quality and chemical composition of coffee beans. The presence of defective beans during processing and roasting contribute to off flavors and reduce overall cup quality. A multipronged approach was undertaken to identify specific biochemical markers for defective beans. To this end, beans were split into defective and non-defective fractions and biochemically profiled in both green and roasted states. A set of 17 compounds in green beans, including organic acids, amino acids and reducing sugars; and 35 compounds in roasted beans, dominated by volatile compounds, organic acids, sugars and sugar alcohols, were sufficient to separate the defective and non-defective fractions. Unsorted coffee was examined for the presence of the biochemical markers to test their utility in detecting defective beans. Although the green coffee marker compounds were found in all fractions, three of the roasted coffee marker compounds (1-methylpyrrole, 5-methyl- 2-furfurylfuran, and 2-methylfuran) were uniquely present in defective fractions. Published by Elsevier Ltd.

Resolving the Spatial Structures of Bound Hole States in Black Phosphorus.

PubMed

Qiu, Zhizhan; Fang, Hanyan; Carvalho, Alexandra; Rodin, A S; Liu, Yanpeng; Tan, Sherman J R; Telychko, Mykola; Lv, Pin; Su, Jie; Wang, Yewu; Castro Neto, A H; Lu, Jiong

2017-11-08

Understanding the local electronic properties of individual defects and dopants in black phosphorus (BP) is of great importance for both fundamental research and technological applications. Here, we employ low-temperature scanning tunnelling microscope (LT-STM) to probe the local electronic structures of single acceptors in BP. We demonstrate that the charge state of individual acceptors can be reversibly switched by controlling the tip-induced band bending. In addition, acceptor-related resonance features in the tunnelling spectra can be attributed to the formation of Rydberg-like bound hole states. The spatial mapping of the quantum bound states shows two distinct shapes evolving from an extended ellipse shape for the 1s ground state to a dumbbell shape for the 2p x excited state. The wave functions of bound hole states can be well-described using the hydrogen-like model with anisotropic effective mass, corroborated by our theoretical calculations. Our findings not only provide new insight into the many-body interactions around single dopants in this anisotropic two-dimensional material but also pave the way to the design of novel quantum devices.

High-resolution spectroscopy and quantum-defect model for the gerade triplet np and nf Rydberg states of He{sub 2}

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

Sprecher, D.; Liu, J.; Krähenmann, T.

2014-02-14

Photoionization spectra and Rydberg-state-resolved threshold-ionization spectra of the gerade triplet np Rydberg states of {sup 4}He{sub 2} located in the vicinity of the X{sup +2}Σ{sub u}{sup +}(ν{sup +} =0) ionization threshold were recorded from the 2sσa{sup 3}Σ{sub u}{sup +} metastable state. An accuracy of 0.01 cm{sup −1} was achieved for the experimental term values of the observed Rydberg states. The data were combined with spectroscopic data on low-lying triplet np and nf Rydberg states from the literature to derive energy- and internuclear-distance-dependent eigenquantum-defect parameters of multichannel quantum-defect theory (MQDT). The MQDT calculations reproduce the experimental data within their experimental uncertainties andmore » enabled the derivation of potential-energy curves for the lowest triplet p Rydberg states (n = 2–5) of He{sub 2}. The eigenquantum-defect parameters describing the p -f interaction were found to be larger than 0.002 at the energies corresponding to the high-n Rydberg states, so that the p -f interaction plays an important role in the autoionization dynamics of np Rydberg states with ν{sup +} = 0. By extrapolating the experimental term values of triplet np Rydberg states of {sup 4}He{sub 2} in the range of principal quantum number n between 87 and 110, the positions of the (ν{sup +} = 0, N{sup +} = 3) and (ν{sup +} = 0, N{sup +} = 5) levels of the ground state of {sup 4}He{sub 2}{sup +} were determined to lie 70.937(3) cm{sup −1} and 198.369(6) cm{sup −1}, respectively, above the (ν{sup +} = 0, N{sup +} = 1) ground rotational level.« less

Spin-on bottom antireflective coating defect reduction by proper filter selection and process optimization

NASA Astrophysics Data System (ADS)

Brakensiek, Nickolas L.; Kidd, Brian; Mesawich, Michael; Stevens, Don, Jr.; Gotlinsky, Barry

2003-06-01

A design of experiment (DOE) was implemented to show the effects of various point of use filters on the coat process. The DOE takes into account the filter media, pore size, and pumping means, such as dispense pressure, time, and spin speed. The coating was executed on a TEL Mark 8 coat track, with an IDI M450 pump, and PALL 16 stack Falcon filters. A KLA 2112 set at 0.69 μm pixel size was used to scan the wafers to detect and identify the defects. The process found for DUV42P to maintain a low defect coating irrespective of the filter or pore size is a high start pressure, low end pressure, low dispense time, and high dispense speed. The IDI M450 pump has the capability to compensate for bubble type defects by venting the defects out of the filter before the defects are in the dispense line and the variable dispense rate allows the material in the dispense line to slow down at the end of dispense and not create microbubbles in the dispense line or tip. Also the differential pressure sensor will alarm if the pressure differential across the filter increases over a user-determined setpoint. The pleat design allows more surface area in the same footprint to reduce the differential pressure across the filter and transport defects to the vent tube. The correct low defect coating process will maximize the advantage of reducing filter pore size or changing the filter media.

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

DOE PAGES

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent; ...

2018-03-06

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Reconstruction of Anterolateral Thigh Defects Using Perforator-Based Propeller Flaps.

PubMed

Iida, Takuya; Yoshimatsu, Hidehiko; Koshima, Isao

2017-10-01

Usually, anterolateral thigh (ALT) defects with width more than 8 cm cannot be closed directly. Although several methods of using local flaps exist, flap mobility of these methods is limited. We introduced a perforator-based propeller flap for such reconstruction. Their maximal mobility, which minimizes their size, is their greatest advantage. In addition, we present our technical refinements including double-axes propeller flap, the use of indocyanine green real-time angiography, and supercharged propeller flap for safer flap transfer. Seven patients underwent perforator-based propeller flap reconstruction of ALT defects. Flaps were designed cranial or caudal to the defect according to the perforator locations. To maximize mobility, flaps were designed so that the perforator was located at the periphery and closer to the defect. After rotating the flap to the defect, indocyanine green angiography was performed to determine the need for supercharge. In all cases, all flaps survived completely. Defect size ranged from 12 × 11 cm to 18 × 16 cm, and flap size ranged from 7 × 5 cm to 15 × 7 cm. The number of perforators in the flap was 1 in 3 cases and 2 in 4 cases. Supercharging was performed in 3 cases. Donor-site complications, including gait disturbance, were not observed. This method achieves ALT defect closure with minimal donor-site morbidity and can provide prompt and aesthetically acceptable results. Indocyanine green real-time angiography and supercharging technique are also useful for safer and reliable flap transfer.

Design and analysis of forward and reverse models for predicting defect accumulation, defect energetics, and irradiation conditions

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

Stewart, James A.; Kohnert, Aaron A.; Capolungo, Laurent

The complexity of radiation effects in a material’s microstructure makes developing predictive models a difficult task. In principle, a complete list of all possible reactions between defect species being considered can be used to elucidate damage evolution mechanisms and its associated impact on microstructure evolution. However, a central limitation is that many models use a limited and incomplete catalog of defect energetics and associated reactions. Even for a given model, estimating its input parameters remains a challenge, especially for complex material systems. Here, we present a computational analysis to identify the extent to which defect accumulation, energetics, and irradiation conditionsmore » can be determined via forward and reverse regression models constructed and trained from large data sets produced by cluster dynamics simulations. A global sensitivity analysis, via Sobol’ indices, concisely characterizes parameter sensitivity and demonstrates how this can be connected to variability in defect evolution. Based on this analysis and depending on the definition of what constitutes the input and output spaces, forward and reverse regression models are constructed and allow for the direct calculation of defect accumulation, defect energetics, and irradiation conditions. Here, this computational analysis, exercised on a simplified cluster dynamics model, demonstrates the ability to design predictive surrogate and reduced-order models, and provides guidelines for improving model predictions within the context of forward and reverse engineering of mathematical models for radiation effects in a materials’ microstructure.« less

Defect window analysis by using SEM-contour based shape quantifying method for sub-20nm node production

NASA Astrophysics Data System (ADS)

Hibino, Daisuke; Hsu, Mingyi; Shindo, Hiroyuki; Izawa, Masayuki; Enomoto, Yuji; Lin, J. F.; Hu, J. R.

2013-04-01

The impact on yield loss due to systematic defect which remains after Optical Proximity Correction (OPC) modeling has increased, and achieving an acceptable yield has become more difficult in the leading technology beyond 20 nm node production. Furthermore Process-Window has become narrow because of the complexity of IC design and less process margin. In the past, the systematic defects have been inspected by human-eyes. However the judgment by human-eyes is sometime unstable and not accurate. Moreover an enormous amount of time and labor will have to be expended on the one-by-one judgment for several thousands of hot-spot defects. In order to overcome these difficulties and improve the yield and manufacturability, the automated system, which can quantify the shape difference with high accuracy and speed, is needed. Inspection points could be increased for getting higher yield, if the automated system achieves our goal. Defect Window Analysis (DWA) system by using high-precision-contour extraction from SEM image on real silicon and quantifying method which can calculate the difference between defect pattern and non-defect pattern automatically, which was developed by Hitachi High-Technologies, has been applied to the defect judgment instead of the judgment by human-eyes. The DWA result which describes process behavior might be feedback to design or OPC or mask. This new methodology and evaluation results will be presented in detail in this paper.

Light-leaking region segmentation of FOG fiber based on quality evaluation of infrared image

NASA Astrophysics Data System (ADS)

Liu, Haoting; Wang, Wei; Gao, Feng; Shan, Lianjie; Ma, Yuzhou; Ge, Wenqian

2014-07-01

To improve the assembly reliability of Fiber Optic Gyroscope (FOG), a light leakage detection system and method is developed. First, an agile movement control platform is designed to implement the pose control of FOG optical path component in 6 Degrees of Freedom (DOF). Second, an infrared camera is employed to capture the working state images of corresponding fibers in optical path component after the manual assembly of FOG; therefore the entire light transmission process of key sections in light-path can be recorded. Third, an image quality evaluation based region segmentation method is developed for the light leakage images. In contrast to the traditional methods, the image quality metrics, including the region contrast, the edge blur, and the image noise level, are firstly considered to distinguish the image characters of infrared image; then the robust segmentation algorithms, including graph cut and flood fill, are all developed for region segmentation according to the specific image quality. Finally, after the image segmentation of light leakage region, the typical light-leaking type, such as the point defect, the wedge defect, and the surface defect can be identified. By using the image quality based method, the applicability of our proposed system can be improved dramatically. Many experiment results have proved the validity and effectiveness of this method.

Simultaneous Detection and Classification of Acoustic Emissions in Integrated Diagnostics with Yield in Aluminum

NASA Astrophysics Data System (ADS)

Parmar, Devendra

2006-04-01

Acoustic emission (AE) experiments were conducted on a strained aluminum (10 cm x 9 cm x 0.25 cm) specimen. Studies were conducted with the goal to characterize AE associated with material yield developed due to high loading and to correlate the course of the yield with AE signals. The American Association of State Highway and Transport Officials (AASHTO) listed aluminum as one of the structural components of highway brides^1 with unit weight of 2800 kg.m-3. The specimen, mounted on the load frame, was held on each end by the wedge grips and was electromechanically tested in a tension mode at rates of extension of 0.0333 mm/s and 0.0666 mm/s. Load was applied to the test frame via moving cross heads. A load transducer (load cell) mounted in series with the specimen measured the applied load by converting it into an electrical signal. Results are analyzed using defect zone model in which location of the defect is determined from the measurement of the arrival time of the signal at two different sensors placed at strategically around the source of emission from the test object. The sensor that detects the signal first is identified to be in the defect zone. ^1AASHTO LRFD Bridge Design Specifications, 1994.

Channeling Excitons to Emissive Defect Sites in Carbon Nanotube Semiconductors beyond the Dilute Regime.

PubMed

Powell, Lyndsey R; Piao, Yanmei; Ng, Allen L; Wang, YuHuang

2018-06-07

The exciton photoluminescence of carbon nanotube semiconductors has been intensively exploited for bioimaging, anticounterfeiting, photodetection, and quantum information science. However, at high concentrations, photoluminescence is lost to self-quenching because of the nearly complete overlap of the absorption and emissive states (∼10 meV Stokes shift). Here we show that by introducing sparse fluorescent quantum defects via covalent chemistry, self-quenching can be efficiently bypassed by means of the new emission route. The defect photoluminescence is significantly red-shifted by 190 meV for p-nitroaryl tailored (6,5)-single-walled carbon nanotubes (SWCNTs) from the native emission of the nanotube. Notably, the defect photoluminescence is more than 34 times brighter than the native photoluminescence of unfunctionalized SWCNTs in the most concentrated nanotube solution tested (2.7 × 10 14 nanotubes/mL). Moreover, we show that defect photoluminescence is more resistant to self-quenching than the native state in a dense film, which is the upper limit of concentration. Our findings open opportunities to harness nanotube excitons in highly concentrated systems for applications where photoluminescence brightness and light-collecting efficiency are mutually important.

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Is Superhydrophobicity Equal to Underwater Superaerophilicity: Regulating the Gas Behavior on Superaerophilic Surface via Hydrophilic Defects.

PubMed

Cao, Moyuan; Li, Zhe; Ma, Hongyu; Geng, Hui; Yu, Cunming; Jiang, Lei

2018-06-20

Superhydrophobic surfaces have long been considered as superaerophilic surfaces while being placed in the aqueous environment. However, versatile gas/solid interacting phenomena were reported by utilizing different superhydrophobic substrates, indicating that these two wetting states cannot be simply equated. Herein, we demonstrate how the hydrophilic defects on the superhydrophobic track manipulate the underwater gas delivery, without deteriorating the water repellency of the surface in air. The versatile gas-transporting processes can be achieved on the defected superhydrophobic surfaces; on the contrary, in air, a water droplet is able to roll on those surfaces indistinguishably. Results show that the different media pressures applied on the two wetting states determine the diversified fluid-delivering phenomena; that is, the pressure-induced hydrophilic defects act as a gas barrier to regulate the bubble motion behavior under water. Through the rational incorporation of hydrophilic defects, a series of gas-transporting behaviors are achieved purposively, for example, gas film delivery, bubble transporting, and anisotropic bubble gating, which proves the feasibility of this underwater air-controlling strategy.

Modelling of steady state erosion of CFC actively water-cooled mock-up for the ITER divertor

NASA Astrophysics Data System (ADS)

Ogorodnikova, O. V.

2008-04-01

Calculations of the physical and chemical erosion of CFC (carbon fibre composite) monoblocks as outer vertical target of the ITER divertor during normal operation regimes have been done. Off-normal events and ELM's are not considered here. For a set of components under thermal and particles loads at glancing incident angle, variations in the material properties and/or assembly of defects could result in different erosion of actively-cooled components and, thus, in temperature instabilities. Operation regimes where the temperature instability takes place are investigated. It is shown that the temperature and erosion instabilities, probably, are not a critical point for the present design of ITER vertical target if a realistic variation of material properties is assumed, namely, the difference in the thermal conductivities of the neighbouring monoblocks is 20% and the maximum allowable size of a defect between CFC armour and cooling tube is +/-90° in circumferential direction from the apex.

Efficient, trans-complementing packaging systems for chimeric, pseudoinfectious dengue 2/yellow fever viruses

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

Shustov, Alexandr V.; Frolov, Ilya, E-mail: ivfrolov@UAB.ed

In our previous studies, we have stated to build a new strategy for developing defective, pseudoinfectious flaviviruses (PIVs) and applying them as a new type of vaccine candidates. PIVs combined the efficiency of live vaccines with the safety of inactivated or subunit vaccines. The results of the present work demonstrate further development of chimeric PIVs encoding dengue virus 2 (DEN2V) glycoproteins and yellow fever virus (YFV)-derived replicative machinery as potential vaccine candidates. The newly designed PIVs have synergistically functioning mutations in the prM and NS2A proteins, which abolish processing of the latter proteins and make the defective viruses capable ofmore » producing either only noninfectious, immature and/or subviral DEN2V particles. The PIV genomes can be packaged to high titers into infectious virions in vitro using the NS1-deficient YFV helper RNAs, and both PIVs and helpers can then be passaged as two-component genome viruses at an escalating scale.« less

Chemical evolution via beta decay: a case study in strontium-90

NASA Astrophysics Data System (ADS)

Marks, N. A.; Carter, D. J.; Sassi, M.; Rohl, A. L.; Sickafus, K. E.; Uberuaga, B. P.; Stanek, C. R.

2013-02-01

Using 90Sr as a representative isotope, we present a framework for understanding beta decay within the solid state. We quantify three key physical and chemical principles, namely momentum-induced recoil during the decay event, defect creation due to physical displacement, and chemical evolution over time. A fourth effect, that of electronic excitation, is also discussed, but this is difficult to quantify and is strongly material dependent. The analysis is presented for the specific cases of SrTiO3 and SrH2. By comparing the recoil energy with available threshold displacement data we show that in many beta-decay situations defects such as Frenkel pairs will not be created during decay as the energy transfer is too low. This observation leads to the concept of chemical evolution over time, which we quantify using density functional theory. Using a combination of Bader analysis, phonon calculations and cohesive energy calculations, we show that beta decay leads to counter-intuitive behavior that has implications for nuclear waste storage and novel materials design.

Chemical evolution via beta decay: a case study in strontium-90.

PubMed

Marks, N A; Carter, D J; Sassi, M; Rohl, A L; Sickafus, K E; Uberuaga, B P; Stanek, C R

2013-02-13

Using (90)Sr as a representative isotope, we present a framework for understanding beta decay within the solid state. We quantify three key physical and chemical principles, namely momentum-induced recoil during the decay event, defect creation due to physical displacement, and chemical evolution over time. A fourth effect, that of electronic excitation, is also discussed, but this is difficult to quantify and is strongly material dependent. The analysis is presented for the specific cases of SrTiO(3) and SrH(2). By comparing the recoil energy with available threshold displacement data we show that in many beta-decay situations defects such as Frenkel pairs will not be created during decay as the energy transfer is too low. This observation leads to the concept of chemical evolution over time, which we quantify using density functional theory. Using a combination of Bader analysis, phonon calculations and cohesive energy calculations, we show that beta decay leads to counter-intuitive behavior that has implications for nuclear waste storage and novel materials design.

Strain control of oxygen vacancies in epitaxial strontium cobaltite films

DOE PAGES

Jeen, Hyoung Jeen; Choi, Woo Seok; Reboredo, Fernando A.; ...

2016-01-25

In this study, the ability to manipulate oxygen anion defects rather than metal cations in complex oxides can facilitate creating new functionalities critical for emerging energy and device technologies. However, the difficulty in activating oxygen at reduced temperatures hinders the deliberate control of important defects, oxygen vacancies. Here, strontium cobaltite (SrCoO x) is used to demonstrate that epitaxial strain is a powerful tool for manipulating the oxygen vacancy concentration even under highly oxidizing environments and at annealing temperatures as low as 300 °C. By applying a small biaxial tensile strain (2%), the oxygen activation energy barrier decreases by ≈30%, resultingmore » in a tunable oxygen deficient steady-state under conditions that would normally fully oxidize unstrained cobaltite. These strain-induced changes in oxygen stoichiometry drive the cobaltite from a ferromagnetic metal towards an antiferromagnetic insulator. The ability to decouple the oxygen vacancy concentration from its typical dependence on the operational environment is useful for effectively designing oxides materials with a specific oxygen stoichiometry.« less

Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

NASA Astrophysics Data System (ADS)

Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

2017-03-01

In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

Inherited trombophilic states and pulmonary embolism

PubMed Central

Konecny, Filip

2009-01-01

Pulmonary embolism (PE) and deep vein thrombosis (DVT) are associated with considerable morbidity and mortality, mostly, in case of PE for its lack of sensitivity of its early detection. For as much as twenty-five percent of PE patients the primary clinical appearance is unexpected death. While PE is one of the most avertable causes of hospital associated deaths, its diagnostics can be extremely difficult. Newly increased interest in an inherited thrombophilic states has been provoked by the discovery of several common inherited abnormalities, i.e. the prothrombin (PT) gene G20210A, Factor V Leiden (FVL) mutation (Arg506Gln), hyperhomocystenemia and homocysteiuria, Wein-Penzing defect, Sticky Platelet Syndrome (SPS), Quebec platelet disorder (QPD) and Sickle Cell Disease (SCD). PE incidence rates increase exponentially with age for both men and women, as they might harbor more than one thrombophilic state. Although the impact of genetic factors on PE is to some extent documented with lacking taxonomy, its genetic testing as its prevention strategy fall short. In this review thrombophilic states are divided into inherited or acquired, and only the inherited and newly documented are more closely followed. Factors are further grouped based on its thrombophilic taxonomy into; inherited defects of coagulation, inherited defects of fibrinolysis, inherited defects of enzymatic pathway in relation to development of VTE and PE and inherited defects of platelets in relation to PE. It was beyond the scope of this review to follow all inherited and newly recognized factors and its association to VTE and PE; however the overall taxonomy makes this review clinically valuable i.e. in relation to genetic testing as PE prevention. PMID:21772860

Inherited trombophilic states and pulmonary embolism.

PubMed

Konecny, Filip

2009-01-01

Pulmonary embolism (PE) and deep vein thrombosis (DVT) are associated with considerable morbidity and mortality, mostly, in case of PE for its lack of sensitivity of its early detection. For as much as twenty-five percent of PE patients the primary clinical appearance is unexpected death. While PE is one of the most avertable causes of hospital associated deaths, its diagnostics can be extremely difficult. Newly increased interest in an inherited thrombophilic states has been provoked by the discovery of several common inherited abnormalities, i.e. the prothrombin (PT) gene G20210A, Factor V Leiden (FVL) mutation (Arg506Gln), hyperhomocystenemia and homocysteiuria, Wein-Penzing defect, Sticky Platelet Syndrome (SPS), Quebec platelet disorder (QPD) and Sickle Cell Disease (SCD). PE incidence rates increase exponentially with age for both men and women, as they might harbor more than one thrombophilic state. Although the impact of genetic factors on PE is to some extent documented with lacking taxonomy, its genetic testing as its prevention strategy fall short.In this review thrombophilic states are divided into inherited or acquired, and only the inherited and newly documented are more closely followed. Factors are further grouped based on its thrombophilic taxonomy into; inherited defects of coagulation, inherited defects of fibrinolysis, inherited defects of enzymatic pathway in relation to development of VTE and PE and inherited defects of platelets in relation to PE. It was beyond the scope of this review to follow all inherited and newly recognized factors and its association to VTE and PE; however the overall taxonomy makes this review clinically valuable i.e. in relation to genetic testing as PE prevention.

Anisotropic Magnus Force in Type-II Superconductors with Planar Defects

NASA Astrophysics Data System (ADS)

Monroy, Ricardo Vega; Gomez, Eliceo Cortés

2015-02-01

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

Mutations in the Caenorhabditis elegans orthologs of human genes required for mitochondrial tRNA modification cause similar electron transport chain defects but different nuclear responses.

PubMed

Navarro-González, Carmen; Moukadiri, Ismaïl; Villarroya, Magda; López-Pascual, Ernesto; Tuck, Simon; Armengod, M-Eugenia

2017-07-01

Several oxidative phosphorylation (OXPHOS) diseases are caused by defects in the post-transcriptional modification of mitochondrial tRNAs (mt-tRNAs). Mutations in MTO1 or GTPBP3 impair the modification of the wobble uridine at position 5 of the pyrimidine ring and cause heart failure. Mutations in TRMU affect modification at position 2 and cause liver disease. Presently, the molecular basis of the diseases and why mutations in the different genes lead to such different clinical symptoms is poorly understood. Here we use Caenorhabditis elegans as a model organism to investigate how defects in the TRMU, GTPBP3 and MTO1 orthologues (designated as mttu-1, mtcu-1, and mtcu-2, respectively) exert their effects. We found that whereas the inactivation of each C. elegans gene is associated with a mild OXPHOS dysfunction, mutations in mtcu-1 or mtcu-2 cause changes in the expression of metabolic and mitochondrial stress response genes that are quite different from those caused by mttu-1 mutations. Our data suggest that retrograde signaling promotes defect-specific metabolic reprogramming, which is able to rescue the OXPHOS dysfunction in the single mutants by stimulating the oxidative tricarboxylic acid cycle flux through complex II. This adaptive response, however, appears to be associated with a biological cost since the single mutant worms exhibit thermosensitivity and decreased fertility and, in the case of mttu-1, longer reproductive cycle. Notably, mttu-1 worms also exhibit increased lifespan. We further show that mtcu-1; mttu-1 and mtcu-2; mttu-1 double mutants display severe growth defects and sterility. The animal models presented here support the idea that the pathological states in humans may initially develop not as a direct consequence of a bioenergetic defect, but from the cell's maladaptive response to the hypomodification status of mt-tRNAs. Our work highlights the important association of the defect-specific metabolic rewiring with the pathological phenotype, which must be taken into consideration in exploring specific therapeutic interventions.

The narrow pass band filter of tunable 1D phononic crystals with a dielectric elastomer layer

NASA Astrophysics Data System (ADS)

Wu, Liang-Yu; Wu, Mei-Ling; Chen, Lien-Wen

2009-01-01

In this paper, we study the defect bands of a 1D phononic crystal consisting of aluminum (Al) and polymethyl methacrylate (PMMA) layers with a dielectric elastomer (DE) defect layer. The plane wave expansion (PWE) method and supercell calculation are used to calculate the band structure and the defect bands. The transmission spectra are obtained using the finite element method (FEM). Since the thickness of the dielectric elastomer defect layer is controlled by applying an electric voltage, the frequencies of the defect bands can be tuned. A narrow pass band filter can be developed and designed by using the dielectric elastomer.

Rydberg-Ritz analysis and quantum defects for Rb and Cs atoms on helium nanodroplets

NASA Astrophysics Data System (ADS)

Lackner, Florian; Krois, Günter; Ernst, Wolfgang E.

2013-08-01

A Rydberg-Ritz approach is used for the interpretation of Rb-He? and Cs-He? Rydberg states and Rydberg series. Variations of the quantum defects within a Rydberg series give insight into the interaction between the alkali atom's valence electron and the superfluid helium droplet. A screening of the valence electron from the alkali atom core by the helium droplet is observed for high Rydberg states. For states with lower principal quantum number, the effect decreases and the quantum defects are found to lie closer to free atom values, indicating an increased probability for the electron to be found inside the alkali atom core. An investigation of the spin-orbit splitting of the Cs-He? nP(2Π) components reveals that the splitting of the lowest 2Π states is more atom-like [Hund's case (c) coupling] than at higher n states [Hund's case (a) coupling]. In addition, we report a detailed study of the droplet size dependence of Ak-He? Rydberg series on the example of the Rb-He? D(Δ) series. Higher Rydberg states of this series are strongly redshifted, which is also related to the screening effect.

Influence of relaxation processes on the evaluation of the metastable defect density in Cu(In,Ga)Se{sub 2}

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

Maciaszek, M.; Zabierowski, P.

2016-06-07

In this contribution, we investigated by means of numerical simulations the influence of relaxation processes related to metastable defects on electrical characteristics of Cu(In,Ga)Se{sub 2}. In particular, we analyzed the relaxation of a metastable state induced by illumination at a fixed temperature as well as the dependence of the hole concentration on the temperature during cooling. The knowledge of these two relaxation processes is crucial in the evaluation of the hole concentration in the relaxed state and after light soaking. We have shown that the distribution of the metastable defects can be considered frozen below 200 K. The hole capture crossmore » section was estimated as ∼3 × 10{sup −15} cm{sup 2}. It was shown that the usually used cooling rates may lead to relevant changes of the hole concentration. We calculated the lower limit of the hole concentration after cooling, and we presented how it depends on densities of shallow acceptors and metastable defects. Moreover, we proposed a method which allows for the evaluation of shallow acceptor and metastable defect densities from two capacitance-voltage profiles measured in the relaxed and light soaking states. Finally, we indicated experimental conditions in which the influence of relaxation processes on the accuracy of this method is the smallest.« less

Birth Defects Among Fetuses and Infants of US Women With Evidence of Possible Zika Virus Infection During Pregnancy.

PubMed

Honein, Margaret A; Dawson, April L; Petersen, Emily E; Jones, Abbey M; Lee, Ellen H; Yazdy, Mahsa M; Ahmad, Nina; Macdonald, Jennifer; Evert, Nicole; Bingham, Andrea; Ellington, Sascha R; Shapiro-Mendoza, Carrie K; Oduyebo, Titilope; Fine, Anne D; Brown, Catherine M; Sommer, Jamie N; Gupta, Jyoti; Cavicchia, Philip; Slavinski, Sally; White, Jennifer L; Owen, S Michele; Petersen, Lyle R; Boyle, Coleen; Meaney-Delman, Dana; Jamieson, Denise J

2017-01-03

Understanding the risk of birth defects associated with Zika virus infection during pregnancy may help guide communication, prevention, and planning efforts. In the absence of Zika virus, microcephaly occurs in approximately 7 per 10 000 live births. To estimate the preliminary proportion of fetuses or infants with birth defects after maternal Zika virus infection by trimester of infection and maternal symptoms. Completed pregnancies with maternal, fetal, or infant laboratory evidence of possible recent Zika virus infection and outcomes reported in the continental United States and Hawaii from January 15 to September 22, 2016, in the US Zika Pregnancy Registry, a collaboration between the CDC and state and local health departments. Laboratory evidence of possible recent Zika virus infection in a maternal, placental, fetal, or infant sample. Birth defects potentially Zika associated: brain abnormalities with or without microcephaly, neural tube defects and other early brain malformations, eye abnormalities, and other central nervous system consequences. Among 442 completed pregnancies in women (median age, 28 years; range, 15-50 years) with laboratory evidence of possible recent Zika virus infection, birth defects potentially related to Zika virus were identified in 26 (6%; 95% CI, 4%-8%) fetuses or infants. There were 21 infants with birth defects among 395 live births and 5 fetuses with birth defects among 47 pregnancy losses. Birth defects were reported for 16 of 271 (6%; 95% CI, 4%-9%) pregnant asymptomatic women and 10 of 167 (6%; 95% CI, 3%-11%) symptomatic pregnant women. Of the 26 affected fetuses or infants, 4 had microcephaly and no reported neuroimaging, 14 had microcephaly and brain abnormalities, and 4 had brain abnormalities without microcephaly; reported brain abnormalities included intracranial calcifications, corpus callosum abnormalities, abnormal cortical formation, cerebral atrophy, ventriculomegaly, hydrocephaly, and cerebellar abnormalities. Infants with microcephaly (18/442) represent 4% of completed pregnancies. Birth defects were reported in 9 of 85 (11%; 95% CI, 6%-19%) completed pregnancies with maternal symptoms or exposure exclusively in the first trimester (or first trimester and periconceptional period), with no reports of birth defects among fetuses or infants with prenatal exposure to Zika virus infection only in the second or third trimesters. Among pregnant women in the United States with completed pregnancies and laboratory evidence of possible recent Zika infection, 6% of fetuses or infants had evidence of Zika-associated birth defects, primarily brain abnormalities and microcephaly, whereas among women with first-trimester Zika infection, 11% of fetuses or infants had evidence of Zika-associated birth defects. These findings support the importance of screening pregnant women for Zika virus exposure.

A retrospective survey of research design and statistical analyses in selected Chinese medical journals in 1998 and 2008.

PubMed

Jin, Zhichao; Yu, Danghui; Zhang, Luoman; Meng, Hong; Lu, Jian; Gao, Qingbin; Cao, Yang; Ma, Xiuqiang; Wu, Cheng; He, Qian; Wang, Rui; He, Jia

2010-05-25

High quality clinical research not only requires advanced professional knowledge, but also needs sound study design and correct statistical analyses. The number of clinical research articles published in Chinese medical journals has increased immensely in the past decade, but study design quality and statistical analyses have remained suboptimal. The aim of this investigation was to gather evidence on the quality of study design and statistical analyses in clinical researches conducted in China for the first decade of the new millennium. Ten (10) leading Chinese medical journals were selected and all original articles published in 1998 (N = 1,335) and 2008 (N = 1,578) were thoroughly categorized and reviewed. A well-defined and validated checklist on study design, statistical analyses, results presentation, and interpretation was used for review and evaluation. Main outcomes were the frequencies of different types of study design, error/defect proportion in design and statistical analyses, and implementation of CONSORT in randomized clinical trials. From 1998 to 2008: The error/defect proportion in statistical analyses decreased significantly ( = 12.03, p<0.001), 59.8% (545/1,335) in 1998 compared to 52.2% (664/1,578) in 2008. The overall error/defect proportion of study design also decreased ( = 21.22, p<0.001), 50.9% (680/1,335) compared to 42.40% (669/1,578). In 2008, design with randomized clinical trials remained low in single digit (3.8%, 60/1,578) with two-third showed poor results reporting (defects in 44 papers, 73.3%). Nearly half of the published studies were retrospective in nature, 49.3% (658/1,335) in 1998 compared to 48.2% (761/1,578) in 2008. Decreases in defect proportions were observed in both results presentation ( = 93.26, p<0.001), 92.7% (945/1,019) compared to 78.2% (1023/1,309) and interpretation ( = 27.26, p<0.001), 9.7% (99/1,019) compared to 4.3% (56/1,309), some serious ones persisted. Chinese medical research seems to have made significant progress regarding statistical analyses, but there remains ample room for improvement regarding study designs. Retrospective clinical studies are the most often used design, whereas randomized clinical trials are rare and often show methodological weaknesses. Urgent implementation of the CONSORT statement is imperative.

Design of reliable universal QCA logic in the presence of cell deposition defect

NASA Astrophysics Data System (ADS)

Sen, Bibhash; Mukherjee, Rijoy; Mohit, Kumar; Sikdar, Biplab K.

2017-08-01

The emergence of Quantum-dot Cellular Automata (QCA) has resulted in being identified as a promising alternative to the currently prevailing techniques of very large scale integration. QCA can provide low-power nanocircuit with high device density. Keeping aside the profound acceptance of QCA, the challenge that it is facing can be quoted as susceptibility to high error rate. The work produced in this article aims towards the design of a reliable universal logic gate (r-ULG) in QCA (r-ULG along with the single clock zone and r-ULG-II along with multiple clock zones). The design would include hybrid orientation of cells that would realise majority and minority, functions and high fault tolerance simultaneously. The characterisation of the defective behaviour of r-ULGs under different kinds of cell deposition defects is investigated. The outcomes of the investigation provide an indication that the proposed r-ULG provides a fault tolerance of 75% under single clock zone and a fault tolerance of 100% under dual clock zones. The high functional aspects of r-ULGs in the implementation of different logic functions successfully under cell deposition defects are affirmed by the experimental results. The high-level logic around the multiplexer is synthesised, which helps to extend the design capability to the higher-level circuit synthesis.

Defect Implosion Experiments (DIME) at OMEGA

NASA Astrophysics Data System (ADS)

Cobble, J. A.; Schmitt, M. J.; Tregillis, I. L.; Obrey, K. D.; Magelssen, G. R.; Wilke, M. D.; Glebov, V.; Marshall, F. J.; Kim, Y. H.; Bradley, P. A.; Batha, S. H.

2010-11-01

The Los Alamos DIME campaign involves perturbed spherical implosions, driven by 60 OMEGA beams with uniform, symmetrical illumination. D-T-filled CH-shell targets with equatorial-plane defects are designed to produce a non-spherical neutron burn region. The objectives of the DIME series are to observe the non-spherical burn with the neutron imaging system (NIS) and to simulate the physics of the neutron and x-ray production. We have demonstrated adequate neutron yield for NIS imaging with targets of diameter 860 μm. All targets are filled with 5 atm of DT. We used two separate shell thicknesses: 8 μm and 15 μm, thus testing both exploding pusher and ablative designs. Defect channel depth ranges from 0 -- 8 μm. Width is 20 -- 40 μm. Perfect targets have no defect. Numerical simulations predict enhanced x-ray emission, that is suggested by experiment. Results from a recent DIME campaign will be discussed.

Pressure-controlled terahertz filter based on 1D photonic crystal with a defective semiconductor

NASA Astrophysics Data System (ADS)

Qinwen, XUE; Xiaohua, WANG; Chenglin, LIU; Youwen, LIU

2018-03-01

The tunable terahertz (THz) filter has been designed and studied, which is composed of 1D photonic crystal (PC) containing a defect layer of semiconductor GaAs. The analytical solution of 1D defective PC (1DDPC) is deduced based on the transfer matrix method, and the electromagnetic plane wave numerical simulation of this 1DDPC is performed by using the finite element method. The calculated and simulated results have confirmed that the filtering transmittance of this 1DDPC in symmetric structure of air/(Si/SiO2) N /GaAs/(SiO2/Si) N /air is far higher than in asymmetric structure of air/(Si/SiO2) N /GaAs/(Si/SiO2) N /air, where the filtering frequency can be tuned by the external pressure. It can provide a feasible route to design the external pressure-controlled THz filter based on 1DPC with a defective semiconductor.

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

PubMed

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

2008-12-23

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

Putting 3D modelling and 3D printing into practice: virtual surgery and preoperative planning to reconstruct complex post-traumatic skeletal deformities and defects

PubMed Central

Tetsworth, Kevin; Block, Steve; Glatt, Vaida

2017-01-01

3D printing technology has revolutionized and gradually transformed manufacturing across a broad spectrum of industries, including healthcare. Nowhere is this more apparent than in orthopaedics with many surgeons already incorporating aspects of 3D modelling and virtual procedures into their routine clinical practice. As a more extreme application, patient-specific 3D printed titanium truss cages represent a novel approach for managing the challenge of segmental bone defects. This review illustrates the potential indications of this innovative technique using 3D printed titanium truss cages in conjunction with the Masquelet technique. These implants are custom designed during a virtual surgical planning session with the combined input of an orthopaedic surgeon, an orthopaedic engineering professional and a biomedical design engineer. The ability to 3D model an identical replica of the original intact bone in a virtual procedure is of vital importance when attempting to precisely reconstruct normal anatomy during the actual procedure. Additionally, other important factors must be considered during the planning procedure, such as the three-dimensional configuration of the implant. Meticulous design is necessary to allow for successful implantation through the planned surgical exposure, while being aware of the constraints imposed by local anatomy and prior implants. This review will attempt to synthesize the current state of the art as well as discuss our personal experience using this promising technique. It will address implant design considerations including the mechanical, anatomical and functional aspects unique to each case. PMID:28220752

Putting 3D modelling and 3D printing into practice: virtual surgery and preoperative planning to reconstruct complex post-traumatic skeletal deformities and defects.

PubMed

Tetsworth, Kevin; Block, Steve; Glatt, Vaida

2017-01-01

3D printing technology has revolutionized and gradually transformed manufacturing across a broad spectrum of industries, including healthcare. Nowhere is this more apparent than in orthopaedics with many surgeons already incorporating aspects of 3D modelling and virtual procedures into their routine clinical practice. As a more extreme application, patient-specific 3D printed titanium truss cages represent a novel approach for managing the challenge of segmental bone defects. This review illustrates the potential indications of this innovative technique using 3D printed titanium truss cages in conjunction with the Masquelet technique. These implants are custom designed during a virtual surgical planning session with the combined input of an orthopaedic surgeon, an orthopaedic engineering professional and a biomedical design engineer. The ability to 3D model an identical replica of the original intact bone in a virtual procedure is of vital importance when attempting to precisely reconstruct normal anatomy during the actual procedure. Additionally, other important factors must be considered during the planning procedure, such as the three-dimensional configuration of the implant. Meticulous design is necessary to allow for successful implantation through the planned surgical exposure, while being aware of the constraints imposed by local anatomy and prior implants. This review will attempt to synthesize the current state of the art as well as discuss our personal experience using this promising technique. It will address implant design considerations including the mechanical, anatomical and functional aspects unique to each case. © The Authors, published by EDP Sciences, 2017.

Defect assistant band alignment transition from staggered to broken gap in mixed As/Sb tunnel field effect transistor heterostructure

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

Zhu, Y.; Jain, N.; Vijayaraghavan, S.

2012-11-01

The compositional dependence of effective tunneling barrier height (E{sub beff}) and defect assisted band alignment transition from staggered gap to broken gap in GaAsSb/InGaAs n-channel tunnel field effect transistor (TFET) structures were demonstrated by x-ray photoelectron spectroscopy (XPS). High-resolution x-ray diffraction measurements revealed that the active layers are internally lattice matched. The evolution of defect properties was evaluated using cross-sectional transmission electron microscopy. The defect density at the source/channel heterointerface was controlled by changing the interface properties during growth. By increasing indium (In) and antimony (Sb) alloy compositions from 65% to 70% in In{sub x}Ga{sub 1-x}As and 60% to 65%more » in GaAs{sub 1-y}Sb{sub y} layers, the E{sub beff} was reduced from 0.30 eV to 0.21 eV, respectively, with the low defect density at the source/channel heterointerface. The transfer characteristics of the fabricated TFET device with an E{sub beff} of 0.21 eV show 2 Multiplication-Sign improvement in ON-state current compared to the device with E{sub beff} of 0.30 eV. On contrary, the value of E{sub beff} was decreased from 0.21 eV to -0.03 eV due to the presence of high defect density at the GaAs{sub 0.35}Sb{sub 0.65}/In{sub 0.7}Ga{sub 0.3}As heterointerface. As a result, the band alignment was converted from staggered gap to broken gap, which leads to 4 orders of magnitude increase in OFF-state leakage current. Therefore, a high quality source/channel interface with a properly selected E{sub beff} and well maintained low defect density is necessary to obtain both high ON-state current and low OFF-state leakage in a mixed As/Sb TFET structure for high-performance and lower-power logic applications.« less

Experimental demonstration of topologically protected efficient sound propagation in an acoustic waveguide network

NASA Astrophysics Data System (ADS)

Wei, Qi; Tian, Ye; Zuo, Shu-Yu; Cheng, Ying; Liu, Xiao-Jun

2017-03-01

Acoustic topological states support sound propagation along the boundary in a one-way direction with inherent robustness against defects and disorders, leading to the revolution of the manipulation on acoustic waves. A variety of acoustic topological states relying on circulating fluid, chiral coupling, or temporal modulation have been proposed theoretically. However, experimental demonstration has so far remained a significant challenge, due to the critical limitations such as structural complexity and high losses. Here, we experimentally demonstrate an acoustic anomalous Floquet topological insulator in a waveguide network. The acoustic gapless edge states can be found in the band gap when the waveguides are strongly coupled. The scheme features simple structure and high-energy throughput, leading to the experimental demonstration of efficient and robust topologically protected sound propagation along the boundary. The proposal may offer a unique, promising application for design of acoustic devices in acoustic guiding, switching, isolating, filtering, etc.

Fixtureless nonrigid part inspection using depth cameras

NASA Astrophysics Data System (ADS)

Xiong, Hanwei; Xu, Jun; Xu, Chenxi; Pan, Ming

2016-10-01

In automobile industry, flexible thin shell parts are used to cover car body. Such parts could have a different shape in a free state than the design model due to dimensional variation, gravity loads and residual strains. Special inspection fixtures are generally indispensable for geometric inspection. Recently, some researchers have proposed fixtureless nonridged inspect methods using intrinsic geometry or virtual spring-mass system, based on some assumptions about deformation between Free State shape and nominal CAD shape. In this paper, we propose a new fixtureless method to inspect flexible parts with a depth camera, which is efficient and low computational complexity. Unlike traditional method, we gather two point cloud set of the manufactured part in two different states, and make correspondences between them and one of them to the CAD model. The manufacturing defects can be derived from the correspondences. Finite element method (FEM) disappears in our method. Experimental evaluation of the proposed method is presented.

Vectorized magnetometer for space applications using electrical readout of atomic scale defects in silicon carbide

NASA Astrophysics Data System (ADS)

Cochrane, Corey J.; Blacksberg, Jordana; Anders, Mark A.; Lenahan, Patrick M.

2016-11-01

Magnetometers are essential for scientific investigation of planetary bodies and are therefore ubiquitous on missions in space. Fluxgate and optically pumped atomic gas based magnetometers are typically flown because of their proven performance, reliability, and ability to adhere to the strict requirements associated with space missions. However, their complexity, size, and cost prevent their applicability in smaller missions involving cubesats. Conventional solid-state based magnetometers pose a viable solution, though many are prone to radiation damage and plagued with temperature instabilities. In this work, we report on the development of a new self-calibrating, solid-state based magnetometer which measures magnetic field induced changes in current within a SiC pn junction caused by the interaction of external magnetic fields with the atomic scale defects intrinsic to the semiconductor. Unlike heritage designs, the magnetometer does not require inductive sensing elements, high frequency radio, and/or optical circuitry and can be made significantly more compact and lightweight, thus enabling missions leveraging swarms of cubesats capable of science returns not possible with a single large-scale satellite. Additionally, the robustness of the SiC semiconductor allows for operation in extreme conditions such as the hot Venusian surface and the high radiation environment of the Jovian system.

Localizing softness and stress along loops in 3D topological metamaterials

NASA Astrophysics Data System (ADS)

Baardink, Guido; Souslov, Anton; Paulose, Jayson; Vitelli, Vincenzo

2018-01-01

Topological states can be used to control the mechanical properties of a material along an edge or around a localized defect. The rigidity of elastic networks is characterized by a topological invariant called the polarization; materials with a well-defined uniform polarization display a dramatic range of edge softness depending on the orientation of the polarization relative to the terminating surface. However, in all 3D mechanical metamaterials proposed to date, the topological modes are mixed with bulk soft modes, which organize themselves in Weyl loops. Here, we report the design of a 3D topological metamaterial without Weyl lines and with a uniform polarization that leads to an asymmetry between the number of soft modes on opposing surfaces. We then use this construction to localize topological soft modes in interior regions of the material by including defect lines—dislocation loops—that are unique to three dimensions. We derive a general formula that relates the difference in the number of soft modes and states of self-stress localized along the dislocation loop to the handedness of the vector triad formed by the lattice polarization, Burgers vector, and dislocation-line direction. Our findings suggest a strategy for preprogramming failure and softness localized along lines in 3D, while avoiding extended soft Weyl modes.

Vectorized magnetometer for space applications using electrical readout of atomic scale defects in silicon carbide

PubMed Central

Cochrane, Corey J.; Blacksberg, Jordana; Anders, Mark A.; Lenahan, Patrick M.

2016-01-01

Magnetometers are essential for scientific investigation of planetary bodies and are therefore ubiquitous on missions in space. Fluxgate and optically pumped atomic gas based magnetometers are typically flown because of their proven performance, reliability, and ability to adhere to the strict requirements associated with space missions. However, their complexity, size, and cost prevent their applicability in smaller missions involving cubesats. Conventional solid-state based magnetometers pose a viable solution, though many are prone to radiation damage and plagued with temperature instabilities. In this work, we report on the development of a new self-calibrating, solid-state based magnetometer which measures magnetic field induced changes in current within a SiC pn junction caused by the interaction of external magnetic fields with the atomic scale defects intrinsic to the semiconductor. Unlike heritage designs, the magnetometer does not require inductive sensing elements, high frequency radio, and/or optical circuitry and can be made significantly more compact and lightweight, thus enabling missions leveraging swarms of cubesats capable of science returns not possible with a single large-scale satellite. Additionally, the robustness of the SiC semiconductor allows for operation in extreme conditions such as the hot Venusian surface and the high radiation environment of the Jovian system. PMID:27892524

Vectorized magnetometer for space applications using electrical readout of atomic scale defects in silicon carbide.

PubMed

Cochrane, Corey J; Blacksberg, Jordana; Anders, Mark A; Lenahan, Patrick M

2016-11-28

Magnetometers are essential for scientific investigation of planetary bodies and are therefore ubiquitous on missions in space. Fluxgate and optically pumped atomic gas based magnetometers are typically flown because of their proven performance, reliability, and ability to adhere to the strict requirements associated with space missions. However, their complexity, size, and cost prevent their applicability in smaller missions involving cubesats. Conventional solid-state based magnetometers pose a viable solution, though many are prone to radiation damage and plagued with temperature instabilities. In this work, we report on the development of a new self-calibrating, solid-state based magnetometer which measures magnetic field induced changes in current within a SiC pn junction caused by the interaction of external magnetic fields with the atomic scale defects intrinsic to the semiconductor. Unlike heritage designs, the magnetometer does not require inductive sensing elements, high frequency radio, and/or optical circuitry and can be made significantly more compact and lightweight, thus enabling missions leveraging swarms of cubesats capable of science returns not possible with a single large-scale satellite. Additionally, the robustness of the SiC semiconductor allows for operation in extreme conditions such as the hot Venusian surface and the high radiation environment of the Jovian system.

First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide

NASA Astrophysics Data System (ADS)

Geng, Hua Y.; Song, Hong X.; Jin, K.; Xiang, S. K.; Wu, Q.

2011-11-01

Formation Gibbs free energy of point defects and oxygen clusters in uranium dioxide at high-pressure high-temperature conditions are calculated from first principles, using the LSDA+U approach for the electronic structure and the Debye model for the lattice vibrations. The phonon contribution on Frenkel pairs is found to be notable, whereas it is negligible for the Schottky defect. Hydrostatic compression changes the formation energies drastically, making defect concentrations depend more sensitively on pressure. Calculations show that, if no oxygen clusters are considered, uranium vacancy becomes predominant in overstoichiometric UO2 with the aid of the contribution from lattice vibrations, while compression favors oxygen defects and suppresses uranium vacancy greatly. At ambient pressure, however, the experimental observation of predominant oxygen defects in this regime can be reproduced only in a form of cuboctahedral clusters, underlining the importance of defect clustering in UO2+x. Making use of the point defect model, an equation of state for nonstoichiometric oxides is established, which is then applied to describe the shock Hugoniot of UO2+x. Furthermore, the oxidization and compression behavior of uranium monoxide, triuranium octoxide, uranium trioxide, and a series of defective UO2 at 0 K are investigated. The evolution of mechanical properties and electronic structures with an increase of the oxidation degree are analyzed, revealing the transition of the ground state of uranium oxides from metallic to Mott insulator and then to charge-transfer insulator due to the interplay of strongly correlated effects of 5f orbitals and the shift of electrons from uranium to oxygen atoms.

Defects responsible for abnormal n-type conductivity in Ag-excess doped PbTe thermoelectrics

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

Ryu, Byungki, E-mail: byungkiryu@keri.re.kr; Lee, Jae Ki; Lee, Ji Eun

Density functional calculations have been performed to investigate the role of Ag defects in PbTe thermoelectric materials. Ag-defects can be either donor, acceptor, or isovalent neutral defect. When Ag is heavily doped in PbTe, the neutral (Ag-Ag) dimer defect at Pb-site is formed and the environment changes to the Pb-rich/Te-poor condition. Under Pb-rich condition, the ionized Ag-interstitial defect (Ag{sub I}{sup +}) becomes the major donor. The formation energy of Ag{sub I}{sup +} is smaller than other native and Ag-related defects. Also it is found that Ag{sub I}{sup +} is an effective dopant. There is no additional impurity state near themore » band gap and the conduction band minimum. The charge state of Ag{sub I}{sup +} defect is maintained even when the Fermi level is located above the conduction band minimum. The diffusion constant of Ag{sub I}{sup +} is calculated based on the temperature dependent Fermi level, formation energy, and migration energy. When T > 550 K, the diffusion length of Ag within a few minutes is comparable to the grain size of the polycrystalline PbTe, implying that Ag is dissolved into PbTe and this donor defect is distributed over the whole lattice in Ag-excess doped polycrystalline PbTe. The predicted solubility of Ag{sub I}{sup +} well explains the increased electron carrier concentration and electrical conductivity reported in Ag-excess doped polycrystalline PbTe at T = 450–750 K [Pei et al., Adv. Energy Mater. 1, 291 (2011)]. In addition, we suggest that this abnormal doping behavior is also found for Au-doped PbTe.« less

Littoral Combat Ship and Frigate: Slowing Planned Frigate Acquisition Would Enable Better Informed Decisions

DTIC Science & Technology

2016-12-08

States Government Accountability Office United States Government Accountability Office Highlights of GAO-17-279T, a testimony before the...million in defects for each ship. Time will tell whether this amount is sufficient to account for discovered defects.6 Turning to cost and schedule...279T Year GAO recommendation DOD response 2010 • Update the LCS acquisition strategy to account for operational testing delays in the program

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

PubMed

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

2011-11-22

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

How the vortex lattice of a superconductor becomes disordered: a study by scanning tunneling spectroscopy

PubMed Central

Zehetmayer, M.

2015-01-01

Order-disorder transitions take place in many physical systems, but observing them in detail in real materials is difficult. In two- or quasi-two-dimensional systems, the transition has been studied by computer simulations and experimentally in electron sheets, dusty plasmas, colloidal and other systems. Here I show the different stages of defect formation in the vortex lattice of a superconductor while it undergoes an order-disorder transition by presenting real-space images of the lattice from scanning tunneling spectroscopy. When the system evolves from the ordered to the disordered state, the predominant kind of defect changes from dislocation pairs to single dislocations, and finally to defect clusters forming grain boundaries. Correlation functions indicate a hexatic-like state preceding the disordered state. The transition in the microscopic vortex distribution is mirrored by the well-known spectacular second peak effect observed in the macroscopic current density of the superconductor. PMID:25784605

How the vortex lattice of a superconductor becomes disordered: a study by scanning tunneling spectroscopy.

PubMed

Zehetmayer, M

2015-03-18

Order-disorder transitions take place in many physical systems, but observing them in detail in real materials is difficult. In two- or quasi-two-dimensional systems, the transition has been studied by computer simulations and experimentally in electron sheets, dusty plasmas, colloidal and other systems. Here I show the different stages of defect formation in the vortex lattice of a superconductor while it undergoes an order-disorder transition by presenting real-space images of the lattice from scanning tunneling spectroscopy. When the system evolves from the ordered to the disordered state, the predominant kind of defect changes from dislocation pairs to single dislocations, and finally to defect clusters forming grain boundaries. Correlation functions indicate a hexatic-like state preceding the disordered state. The transition in the microscopic vortex distribution is mirrored by the well-known spectacular second peak effect observed in the macroscopic current density of the superconductor.

Measuring the Ablative Richtmyer-Meshkov Growth of Isolated Defects on Plastic Capsules

NASA Astrophysics Data System (ADS)

Loomis, Eric; Braun, Dave; Batha, Steve; Sedillo, Tom; Evans, Scott; Sorce, Chuck; Landen, Otto

2010-11-01

To achieve thermonuclear ignition at Megajoule class laser systems such as the NIF using inertially confined plasmas, targets must be designed with high in-flight aspect ratios (IFAR) resulting in low shell stability. Recent simulations and experiments have shown that isolated features on the outer surface of an ignition capsule can profoundly impact capsule performance by leading to material jetting or mix into the hotspot. Unfortunately, our ability to accurately predict these effects is uncertain due to disagreement between equation of state (EOS) models. In light of this, we have begun a campaign to measure the growth of isolated defects due to ablative Richtmyer-Meshkov in CH capsules to validate these models. Face- on transmission radiography has been used to measure the evolution of Gaussian bump arrays in plastic targets. Targets were indirectly-driven using Au halfraums to radiation temperatures near 65-75 eV at the Omega laser (Laboratory for Laser Energetics, University of Rochester, NY) simultaneous with x-ray backlighting from a saran (Cl) foil. Shock speed measurements were also made to determine drive conditions in the target. The results from these experiments will aid in the design of ignition drive pulses that minimize bump amplitude at the time of shell acceleration.

System-size convergence of point defect properties: The case of the silicon vacancy

NASA Astrophysics Data System (ADS)

Corsetti, Fabiano; Mostofi, Arash A.

2011-07-01

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the well-known finite size errors associated with calculating formation energies and stable charge state transition levels of isolated defects with periodic boundary conditions. Furthermore, we find that transition levels converge faster with respect to supercell size when only the Γ-point is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This arises from the fact that defect level at the Γ-point quickly converges to a fixed value which correctly describes the bonding at the defect center. Our calculated transition levels with 1000-atom supercells and Γ-point only sampling are in good agreement with available experimental results. We also demonstrate two simple and accurate approaches for calculating the valence band offsets that are required for computing formation energies of charged defects, one based on a potential averaging scheme and the other using maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs provide a clear description of the nature of the electronic bonding at the defect center that verifies the canonical Watkins model.

An improved method for characterizing photoresist lithographic and defectivity performance for sub-20nm node lithography

NASA Astrophysics Data System (ADS)

Amblard, Gilles; Purdy, Sara; Cooper, Ryan; Hockaday, Marjory

2016-03-01

The overall quality and processing capability of lithographic materials are critical for ensuring high device yield and performance at sub-20nm technology nodes in a high volume manufacturing environment. Insufficient process margin and high line width roughness (LWR) cause poor manufacturing control, while high defectivity causes product failures. In this paper, we focus on the most critical layer of a sub-20nm technology node LSI device, and present an improved method for characterizing both lithographic and post-patterning defectivity performance of state-of-the-art immersion photoresists. Multiple formulations from different suppliers were used and compared. Photoresists were tested under various process conditions, and multiple lithographic metrics were investigated (depth of focus, exposure dose latitude, line width roughness, etc.). Results were analyzed and combined using an innovative approach based on advanced software, providing clearer results than previously available. This increased detail enables more accurate performance comparisons among the different photoresists. Post-patterning defectivity was also quantified, with defects reviewed and classified using state-of-the-art inspection tools. Correlations were established between the lithographic and post-patterning defectivity performances for each material, and overall ranking was established among the photoresists, enabling the selection of the best performer for implementation in a high volume manufacturing environment.

Software Package Completed for Alloy Design at the Atomic Level

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo H.; Noebe, Ronald D.; Abel, Phillip B.; Good, Brian S.

2001-01-01

As a result of a multidisciplinary effort involving solid-state physics, quantum mechanics, and materials and surface science, the first version of a software package dedicated to the atomistic analysis of multicomponent systems was recently completed. Based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of alloy and surface energetics, this package includes modules devoted to the analysis of many essential features that characterize any given alloy or surface system, including (1) surface structure analysis, (2) surface segregation, (3) surface alloying, (4) bulk crystalline material properties and atomic defect structures, and (5) thermal processes that allow us to perform phase diagram calculations. All the modules of this Alloy Design Workbench 1.0 (ADW 1.0) are designed to run in PC and workstation environments, and their operation and performance are substantially linked to the needs of the user and the specific application.

Analysis of composite/difference field scattering properties between a slightly rough optical surface and multi-body defects.

PubMed

Gong, Lei; Wu, Zhensen; Gao, Ming; Qu, Tan

2018-03-20

The effective extraction of optical surface roughness and defect characteristic provide important realistic values to improve optical system efficiency. Based on finite difference time domain/multi-resolution time domain (FDTD/MRTD) mixed approach, composite scattering between a slightly rough optical surface and multi-body defect particles with different positions is investigated. The scattering contribution of defect particles or the slightly rough optical surface is presented. Our study provides a theoretical and technological basis for the nondestructive examination and optical performance design of nanometer structures.

Empirical and Face Validity of Software Maintenance Defect Models Used at the Jet Propulsion Laboratory

NASA Technical Reports Server (NTRS)

Taber, William; Port, Dan

2014-01-01

At the Mission Design and Navigation Software Group at the Jet Propulsion Laboratory we make use of finite exponential based defect models to aid in maintenance planning and management for our widely used critical systems. However a number of pragmatic issues arise when applying defect models for a post-release system in continuous use. These include: how to utilize information from problem reports rather than testing to drive defect discovery and removal effort, practical model calibration, and alignment of model assumptions with our environment.

Optimization of Soft Tissue Management, Spacer Design, and Grafting Strategies for Large Segmental Bone Defects using the Chronic Caprine Tibial Defect Model

DTIC Science & Technology

2016-12-01

gastrocnemius muscles. 4. Place an interlocking intramedullary nail using a custom spacer to maintain 5-cm defect length. 5. Place a pre-molded 5 cm long x...2 cm diameter PMMA spacer around the nail in the defect. 6. Irrigate the wound with normal (0.9 %) saline and close the wound. The Treatment...PMMA spacer using a “bomb bay door opening”. 4. Remove the spacer without damaging the membrane or nail . 5. Collect appropriate IM samples as

The Boomerang-shaped Pectoralis Major Musculocutaneous Flap for Reconstruction of Circular Defect of Cervical Skin.

PubMed

Azuma, Shuchi; Arikawa, Masaki; Miyamoto, Shimpei

2017-11-01

We report on a patient with a recurrence of oral cancer involving a cervical lymph node. The patient's postexcision cervical skin defect was nearly circular in shape, and the size was about 12 cm in diameter. The defect was successfully reconstructed with a boomerang-shaped pectoralis major musculocutaneous flap whose skin paddle included multiple intercostal perforators of the internal mammary vessels. This flap design is effective for reconstructing an extensive neck skin defect and enables primary closure of the donor site with minimal deformity.

The association between major birth defects and preterm birth.

PubMed

Honein, Margaret A; Kirby, Russell S; Meyer, Robert E; Xing, Jian; Skerrette, Nyasha I; Yuskiv, Nataliya; Marengo, Lisa; Petrini, Joann R; Davidoff, Michael J; Mai, Cara T; Druschel, Charlotte M; Viner-Brown, Samara; Sever, Lowell E

2009-03-01

To evaluate the association between preterm birth and major birth defects by maternal and infant characteristics and specific types of birth defects. We pooled data for 1995-2000 from 13 states with population-based birth defects surveillance systems, representing about 30% of all U.S. births. Analyses were limited to singleton, live births from 24-44 weeks gestational age. Overall, birth defects were more than twice as common among preterm births (24-36 weeks) compared with term births (37-41 weeks gestation) (prevalence ratio [PR] = 2.65, 95% confidence interval [CI] 2.62-2.68), and approximately 8% of preterm births had a birth defect. Birth defects were over five times more likely among very preterm births (24-31 weeks gestation) compared with term births (PR = 5.25, 95% CI 5.15-5.35), with about 16% of very preterm births having a birth defect. Defects most strongly associated with very preterm birth included central nervous system defects (PR = 16.23, 95% CI 15.49-17.00) and cardiovascular defects (PR = 9.29, 95% CI 9.03-9.56). Birth defects contribute to the occurrence of preterm birth. Research to identify shared causal pathways and risk factors could suggest appropriate interventions to reduce both preterm birth and birth defects.

Electronic structures of graphane with vacancies and graphene adsorbed with fluorine atoms

NASA Astrophysics Data System (ADS)

Wu, Bi-Ru; Yang, Chih-Kai

2012-03-01

We investigate the electronic structure of graphane with hydrogen vacancies, which are supposed to occur in the process of hydrogenation of graphene. A variety of configurations is considered and defect states are derived by density functional calculation. We find that a continuous chain-like distribution of hydrogen vacancies will result in conduction of linear dispersion, much like the transport on a superhighway cutting through the jungle of hydrogen. The same conduction also occurs for chain-like vacancies in an otherwise fully fluorine-adsorbed graphene. These results should be very useful in the design of graphene-based electronic circuits.

Oxygen deficiency in Ti O2 : Similarities and differences between the Ti self-interstitial and the O vacancy in bulk rutile and anatase

NASA Astrophysics Data System (ADS)

Deák, Peter; Aradi, Bálint; Frauenheim, Thomas

2015-07-01

Ti O2 is an oxygen-deficient, intrinsically n -type material, but it is often debated whether the electrons are donated by oxygen vacancies (VO) or titanium interstitials (T ii) . Investigating this issue is complicated by the fact that rutile can self-trap electrons in intrinsic small polaron states, while bulk anatase cannot. The screened hybrid functional HSE06 was proven to account for this phenomenon and has provided quantitatively correct results for VO in our earlier study. Here, we use it for T ii in both rutile and anatase, allowing full spin and symmetry freedom, to shed light on the similarities and differences to VO. We find that these two defects give rise to very similar fingerprints in electron paramagnetic resonance, infrared absorption, or photoelectron spectra. In weakly reduced rutile, the ground state of both defects is (2 +) , with two electrons in polaronic traps, bound loosely to the defect. Most of the time, only these latter states (crudely resembling a hydrogenic series, with increasing distance from the defect) are likely to be detected. In anatase, both VO and T ii can be expected to be ionized at room temperature (singly and doubly, respectively), and the next vertical ionization energy is similar in the two defects—and very close to the ionization energy of the bound polarons in rutile. Most signals in paramagnetic resonance experiments on rutile must also be related to the polaron states, and, in general, very special conditions have to be fulfilled to detect electrons localized to VO or T ii itself. We show that, in thermal equilibrium, the dominant defect in intrinsic samples is VO, and T ii can be the majority defect only in strongly reduced anatase, or in case of p -type doping.

High-throughput automatic defect review for 300mm blank wafers with atomic force microscope

NASA Astrophysics Data System (ADS)

Zandiatashbar, Ardavan; Kim, Byong; Yoo, Young-kook; Lee, Keibock; Jo, Ahjin; Lee, Ju Suk; Cho, Sang-Joon; Park, Sang-il

2015-03-01

While feature size in lithography process continuously becomes smaller, defect sizes on blank wafers become more comparable to device sizes. Defects with nm-scale characteristic size could be misclassified by automated optical inspection (AOI) and require post-processing for proper classification. Atomic force microscope (AFM) is known to provide high lateral and the highest vertical resolution by mechanical probing among all techniques. However, its low throughput and tip life in addition to the laborious efforts for finding the defects have been the major limitations of this technique. In this paper we introduce automatic defect review (ADR) AFM as a post-inspection metrology tool for defect study and classification for 300 mm blank wafers and to overcome the limitations stated above. The ADR AFM provides high throughput, high resolution, and non-destructive means for obtaining 3D information for nm-scale defect review and classification.

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

Di, Jun; Chen, Chao; Yang, Shi -Ze

Photocatalytic solar energy conversion is a clean technology for producing renewable energy sources, but its efficiency is greatly hindered by the kinetically sluggish oxygen evolution reaction. Herein, confined defects in atomically-thin BiOCl nanosheets were created to serve as a remarkable platform to explore the relationship between defects and photocatalytic activity. Surface defects can be clearly observed on atomically-thin BiOCl nanosheets from scanning transmission electron microscopy images. Theoretical/experimental results suggest that defect engineering increased states of density and narrowed the band gap. With combined effects from defect induced shortened hole migratory paths and creation of coordination-unsaturated active atoms with dangling bonds,more » defect-rich BiOCl nanosheets displayed 3 and 8 times higher photocatalytic activity towards oxygen evolution compared with atomically-thin BiOCl nanosheets and bulk BiOCl, respectively. As a result, this successful application of defect engineering will pave a new pathway for improving photocatalytic oxygen evolution activity of other materials.« less

An Inherited Platelet Function Defect in Basset Hounds

PubMed Central

Johnstone, I. B.; Lotz, F.

1979-01-01

An inherited platelet function defect occurring in a family of basset hounds has been described. The trait is transmitted as an autosomal characteristic and appears to be expressed clinically only in the homozygous state. The characteristics of this platelet defect include: 1) marked bleeding tendencies and prolonged skin bleeding times in either male or female dogs. 2) normal blood coagulation mechanism. 3) adequate numbers of circulating platelets which appear morphologically normal by light microscopy. 4) normal whole blood clot retraction. 5) deficient in vivo platelet consumption and in vitro platelet retention in glass bead columns. 6) defective ADP-induced platelet aggregation in homozygotes, apparently normal ADP response in heterozygotes, and defective collagen-induced platelet aggregation in both. PMID:509382

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

Chen, Gang

"Battle against Phonons" was submitted by the Solid State Solar Thermal Energy Conversion (S3TEC) EFRC to the "Life at the Frontiers of Energy Research" video contest at the 2011 Science for Our Nation's Energy Future: Energy Frontier Research Centers (EFRCs) Summit and Forum. Twenty-six EFRCs created short videos to highlight their mission and their work. This video was selected as one of five winners by a distinguished panel of judges for the special award, "Best with Popcorn". S3TEC, an EFRC directed by Gang Chen at the Massachusetts Institute of Technology is a partnership of scientists from four research institutions: MITmore » (lead), Oak Ridge National Laboratory, Boston College, and Rensselaer Polytechnic Institute. The Office of Basic Energy Sciences in the U.S. Department of Energy's Office of Science established the 46 Energy Frontier Research Centers (EFRCs) in 2009. These collaboratively-organized centers conduct fundamental research focused on 'grand challenges' and use-inspired 'basic research needs' recently identified in major strategic planning efforts by the scientific community. The overall purpose is to accelerate scientific progress toward meeting the nation's critical energy challenges. The mission of the Solid-State Solar Thermal Energy Conversion Center is 'to create novel, solid-state materials for the conversion of sunlight into electricity using thermal and photovoltaic processes.' Research topics are: solar photovoltaic, photonic, metamaterial, optics, solar thermal, thermoelectric, phonons, thermal conductivity, defects, ultrafast physics, interfacial characterization, matter by design, novel materials synthesis, charge transport, defect tolerant materials, and scalable processing.« less

Manipulation of photons at the surface of three-dimensional photonic crystals.

PubMed

Ishizaki, Kenji; Noda, Susumu

2009-07-16

In three-dimensional (3D) photonic crystals, refractive-index variations with a periodicity comparable to the wavelength of the light passing through the crystal give rise to so-called photonic bandgaps, which are analogous to electronic bandgaps for electrons moving in the periodic electrostatic potential of a material's crystal structure. Such 3D photonic bandgap crystals are envisioned to become fundamental building blocks for the control and manipulation of photons in optical circuits. So far, such schemes have been pursued by embedding artificial defects and light emitters inside the crystals, making use of 3D bandgap directional effects. Here we show experimentally that photons can be controlled and manipulated even at the 'surface' of 3D photonic crystals, where 3D periodicity is terminated, establishing a new and versatile route for photon manipulation. By making use of an evanescent-mode coupling technique, we demonstrate that 3D photonic crystals possess two-dimensional surface states, and we map their band structure. We show that photons can be confined and propagate through these two-dimensional surface states, and we realize their localization at arbitrary surface points by designing artificial surface-defect structures through the formation of a surface-mode gap. Surprisingly, the quality factors of the surface-defect mode are the largest reported for 3D photonic crystal nanocavities (Q up to approximately 9,000). In addition to providing a new approach for photon manipulation by photonic crystals, our findings are relevant for the generation and control of plasmon-polaritons in metals and the related surface photon physics. The absorption-free nature of the 3D photonic crystal surface may enable new sensing applications and provide routes for the realization of efficient light-matter interactions.

Numerical-experimental investigation of load paths in DP800 dual phase steel during Nakajima test

NASA Astrophysics Data System (ADS)

Bergs, Thomas; Nick, Matthias; Feuerhack, Andreas; Trauth, Daniel; Klocke, Fritz

2018-05-01

Fuel efficiency requirements demand lightweight construction of vehicle body parts. The usage of advanced high strength steels permits a reduction of sheet thickness while still maintaining the overall strength required for crash safety. However, damage, internal defects (voids, inclusions, micro fractures), microstructural defects (varying grain size distribution, precipitates on grain boundaries, anisotropy) and surface defects (micro fractures, grooves) act as a concentration point for stress and consequently as an initiation point for failure both during deep drawing and in service. Considering damage evolution in the design of car body deep drawing processes allows for a further reduction in material usage and therefore body weight. Preliminary research has shown that a modification of load paths in forming processes can help mitigate the effects of damage on the material. This paper investigates the load paths in Nakajima tests of a DP800 dual phase steel to research damage in deep drawing processes. Investigation is done via a finite element model using experimentally validated material data for a DP800 dual phase steel. Numerical simulation allows for the investigation of load paths with respect to stress states, strain rates and temperature evolution, which cannot be easily observed in physical experiments. Stress triaxiality and the Lode parameter are used to describe the stress states. Their evolution during the Nakajima tests serves as an indicator for damage evolution. The large variety of sheet metal forming specific load paths in Nakajima tests allows a comprehensive evaluation of damage for deep drawing. The results of the numerical simulation conducted in this project and further physical experiments will later be used to calibrate a damage model for simulation of deep drawing processes.

Analysis of the defect clusters in congruent lithium tantalate

NASA Astrophysics Data System (ADS)

Vyalikh, Anastasia; Zschornak, Matthias; Köhler, Thomas; Nentwich, Melanie; Weigel, Tina; Hanzig, Juliane; Zaripov, Ruslan; Vavilova, Evgenia; Gemming, Sibylle; Brendler, Erica; Meyer, Dirk C.

2018-01-01

A wide range of technological applications of lithium tantalate (LT) is closely related to the defect chemistry. In literature, several intrinsic defect models have been proposed. Here, using a combinational approach based on DFT and solid-state NMR, we demonstrate that distribution of electric field gradients (EFGs) can be employed as a fingerprint of a specific defect configuration. Analyzing the distribution of 7Li EFGs, the FT-IR and electron spin resonance (ESR) spectra, and the 7Li spin-lattice relaxation behavior, we have found that the congruent LT samples provided by two manufacturers show rather different defect concentrations and distributions although both were grown by the Czochralski method. After thermal treatment hydrogen out-diffusion and homogeneous distribution of other defects have been observed by ESR, NMR, and FT-IR. The defect structure in one of two congruent LT crystals after annealing has been identified and proved by defect formation energy considerations, whereas the more complex defect configuration, including the presence of extrinsic defects, has been suggested for the other LT sample. The approach of searching the EFG fingerprints from DFT calculations in NMR spectra can be applied for identifying the defect clusters in other complex oxides.

Stabilities and defect-mediated lithium-ion conduction in a ground state cubic Li 3 N structure

DOE PAGES

Nguyen, Manh Cuong; Hoang, Khang; Wang, Cai-Zhuang; ...

2016-01-07

A stable ground state structure with cubic symmetry of Li 3N (c-Li 3N) is found by ab initio initially symmetric random-generated crystal structure search method. Gibbs free energy, calculated within quasi-harmonic approximation, shows that c-Li 3N is the ground state structure for a wide range of temperature. The c-Li 3N structure has a negative thermal expansion coefficient at temperatures lower than room temperature, due mainly to two transverse acoustic phonon modes. This c-Li 3N phase is a semiconductor with an indirect band gap of 1.90 eV within hybrid density functional calculation. We also investigate the migration and energetics of nativemore » point defects in c-Li 3N, including lithium and nitrogen vacancies, interstitials, and anti-site defects. Lithium interstitials are found to have a very low migration barrier (~0.12 eV) and the lowest formation energy among all possible defects. Thus, the ionic conduction in c-Li 3N is expected to occur via an interstitial mechanism, in contrast to that in the well-known α-Li 3N phase which occurs via a vacancy mechanism.« less

Studies of excited states of HeH by the multi-reference configuration-interaction method

NASA Astrophysics Data System (ADS)

Lee, Chun-Woo; Gim, Yeongrok

2013-11-01

The excited states of a HeH molecule for an n of up to 4 are studied using the multi-reference configuration-interaction method and Kaufmann's Rydberg basis functions. The advantages of using two different ways of locating Rydberg orbitals, either on the atomic nucleus or at the charge centre of molecules, are exploited by limiting their application to different ranges of R. Using this method, the difference between the experimental binding energies of the lower Rydberg states obtained by Ketterle and the ab initio results obtained by van Hemert and Peyerimhoff is reduced from a few hundreds of wave numbers to a few tens of wave numbers. A substantial improvement in the accuracy allows us to obtain quantum defect curves characterized by the correct behaviour. We obtain several Rydberg series that have more than one member, such as the ns series (n = 2, 3 and 4), npσ series (n = 3 and 4), npπ (n = 2, 3, 4) series and ndπ (n = 3, 4) series. These quantum defect curves are compared to the quantum defect curves obtained by the R-matrix or the multichannel quantum defect theory methods.

Improving Defect-Based Quantum Emitters in Silicon Carbide via Inorganic Passivation.

PubMed

Polking, Mark J; Dibos, Alan M; de Leon, Nathalie P; Park, Hongkun

2018-01-01

Defect-based color centers in wide-bandgap crystalline solids are actively being explored for quantum information science, sensing, and imaging. Unfortunately, the luminescent properties of these emitters are frequently degraded by blinking and photobleaching that arise from poorly passivated host crystal surfaces. Here, a new method for stabilizing the photoluminescence and charge state of color centers based on epitaxial growth of an inorganic passivation layer is presented. Specifically, carbon antisite-vacancy pairs (CAV centers) in 4H-SiC, which serve as single-photon emitters at visible wavelengths, are used as a model system to demonstrate the power of this inorganic passivation scheme. Analysis of CAV centers with scanning confocal microscopy indicates a dramatic improvement in photostability and an enhancement in emission after growth of an epitaxial AlN passivation layer. Permanent, spatially selective control of the defect charge state can also be achieved by exploiting the mismatch in spontaneous polarization at the AlN/SiC interface. These results demonstrate that epitaxial inorganic passivation of defect-based quantum emitters provides a new method for enhancing photostability, emission, and charge state stability of these color centers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonconservative dynamics in long atomic wires

NASA Astrophysics Data System (ADS)

Cunningham, Brian; Todorov, Tchavdar N.; Dundas, Daniel

2014-09-01

The effect of nonconservative current-induced forces on the ions in a defect-free metallic nanowire is investigated using both steady-state calculations and dynamical simulations. Nonconservative forces were found to have a major influence on the ion dynamics in these systems, but their role in increasing the kinetic energy of the ions decreases with increasing system length. The results illustrate the importance of nonconservative effects in short nanowires and the scaling of these effects with system size. The dependence on bias and ion mass can be understood with the help of a simple pen and paper model. This material highlights the benefit of simple preliminary steady-state calculations in anticipating aspects of brute-force dynamical simulations, and provides rule of thumb criteria for the design of stable quantum wires.

Accelerating yield ramp through design and manufacturing collaboration

NASA Astrophysics Data System (ADS)

Sarma, Robin C.; Dai, Huixiong; Smayling, Michael C.; Duane, Michael P.

2004-12-01

Ramping an integrated circuit from first silicon bring-up to production yield levels is a challenge for all semiconductor products on the path to profitable market entry. Two approaches to accelerating yield ramp are presented. The first is the use of laser mask writers for fast throughput, high yield, and cost effective pattern transfer. The second is the use of electrical test to find a defect and identify the physical region to probe in failure analysis that is most likely to uncover the root cause. This provides feedback to the design team on modifications to make to the design to avoid the yield issue in a future tape-out revision. Additionally, the process parameter responsible for the root cause of the defect is forward annotated through the design, mask and wafer coordinate systems so it can be monitored in-line on subsequent lots of the manufacturing run. This results in an improved recipe for the manufacturing equipment to potentially prevent the recurrence of the defect and raise yield levels on the following material. The test diagnostics approach is enabled by the seamless traceability of a feature across the design, photomask and wafer, made possible by a common data model for design, mask pattern generation and wafer fabrication.

Large-Scale Molecular Simulations on the Mechanical Response and Failure Behavior of a defective Graphene: Cases of 5-8-5 Defects

NASA Astrophysics Data System (ADS)

Wang, Shuaiwei; Yang, Baocheng; Yuan, Jinyun; Si, Yubing; Chen, Houyang

2015-10-01

Understanding the effect of defects on mechanical responses and failure behaviors of a graphene membrane is important for its applications. As examples, in this paper, a family of graphene with various 5-8-5 defects are designed and their mechanical responses are investigated by employing molecular dynamics simulations. The dependence of fracture strength and strain as well as Young’s moduli on the nearest neighbor distance and defect types is examined. By introducing the 5-8-5 defects into graphene, the fracture strength and strain become smaller. However, the Young’s moduli of DL (Linear arrangement of repeat unit 5-8-5 defect along zigzag-direction of graphene), DS (a Slope angle between repeat unit 5-8-5 defect and zigzag direction of graphene) and DZ (Zigzag-like 5-8-5 defects) defects in the zigzag direction become larger than those in the pristine graphene in the same direction. A maximum increase of 11.8% of Young’s modulus is obtained. Furthermore, the brittle cracking mechanism is proposed for the graphene with 5-8-5 defects. The present work may provide insights in controlling the mechanical properties by preparing defects in the graphene, and give a full picture for the applications of graphene with defects in flexible electronics and nanodevices.

Defect engineering in atomically-thin bismuth oxychloride towards photocatalytic oxygen evolution

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

Di, Jun; Chen, Chao; Yang, Shi -Ze

Photocatalytic solar energy conversion is a clean technology for producing renewable energy sources, but its efficiency is greatly hindered by the kinetically sluggish oxygen evolution reaction. Herein, confined defects in atomically-thin BiOCl nanosheets were created to serve as a remarkable platform to explore the relationship between defects and photocatalytic activity. Surface defects can be clearly observed on atomically-thin BiOCl nanosheets from scanning transmission electron microscopy images. Theoretical/experimental results suggest that defect engineering increased states of density and narrowed the band gap. With combined effects from defect induced shortened hole migratory paths and creation of coordination-unsaturated active atoms with dangling bonds,more » defect-rich BiOCl nanosheets displayed 3 and 8 times higher photocatalytic activity towards oxygen evolution compared with atomically-thin BiOCl nanosheets and bulk BiOCl, respectively. As a result, this successful application of defect engineering will pave a new pathway for improving photocatalytic oxygen evolution activity of other materials.« less

Defect engineering in atomically-thin bismuth oxychloride towards photocatalytic oxygen evolution

DOE PAGES

Di, Jun; Chen, Chao; Yang, Shi -Ze; ...

2017-06-26

Photocatalytic solar energy conversion is a clean technology for producing renewable energy sources, but its efficiency is greatly hindered by the kinetically sluggish oxygen evolution reaction. Herein, confined defects in atomically-thin BiOCl nanosheets were created to serve as a remarkable platform to explore the relationship between defects and photocatalytic activity. Surface defects can be clearly observed on atomically-thin BiOCl nanosheets from scanning transmission electron microscopy images. Theoretical/experimental results suggest that defect engineering increased states of density and narrowed the band gap. With combined effects from defect induced shortened hole migratory paths and creation of coordination-unsaturated active atoms with dangling bonds,more » defect-rich BiOCl nanosheets displayed 3 and 8 times higher photocatalytic activity towards oxygen evolution compared with atomically-thin BiOCl nanosheets and bulk BiOCl, respectively. As a result, this successful application of defect engineering will pave a new pathway for improving photocatalytic oxygen evolution activity of other materials.« less

Effects of Edge on-Site Potential in a Honeycomb Topological Magnon Insulator

NASA Astrophysics Data System (ADS)

Pantaleón, Pierre A.; Xian, Yang

2018-06-01

While the deviation of the edge on-site potential from the bulk values in a magnonic topological honeycomb lattice leads to the formation of edge states in a bearded boundary, this is not the case for a zigzag termination, where no edge state is found. In a semi-infinite lattice, the intrinsic on-site interactions along the boundary sites generate an effective defect and this gives rise to Tamm-like edge states. If a nontrivial gap is induced, both Tamm-like and topologically protected edge states appear in the band structure. The effective defect can be strengthened by an external on-site potential, and the dispersion relation, velocity and magnon density of the edge states all become tunable.

Robust Multiple-Range Coherent Quantum State Transfer.

PubMed

Chen, Bing; Peng, Yan-Dong; Li, Yong; Qian, Xiao-Feng

2016-07-01

We propose a multiple-range quantum communication channel to realize coherent two-way quantum state transport with high fidelity. In our scheme, an information carrier (a qubit) and its remote partner are both adiabatically coupled to the same data bus, i.e., an N-site tight-binding chain that has a single defect at the center. At the weak interaction regime, our system is effectively equivalent to a three level system of which a coherent superposition of the two carrier states constitutes a dark state. The adiabatic coupling allows a well controllable information exchange timing via the dark state between the two carriers. Numerical results show that our scheme is robust and efficient under practically inevitable perturbative defects of the data bus as well as environmental dephasing noise.

Analysis of defects of overhead facade systems and other light thin-walled structures

NASA Astrophysics Data System (ADS)

Endzhievskiy, L.; Frolovskaia, A.; Petrova, Y.

2017-04-01

This paper analyzes the defects and the causes of contemporary design solutions with an example of overhead facade systems with ventilated air gaps and light steel thin-walled structures on the basis of field experiments. The analysis is performed at all stages of work: design, manufacture, including quality, construction, and operation. Practical examples are given. The main causes of accidents and the accident rate prediction are looked upon and discussed.

Reconstruction design before tumour resection: A new concept of through-and-through cheek defect reconstruction.

PubMed

Gong, Zhao-Jian; Ren, Zhen-Hu; Wang, Kai; Tan, Hong-Yu; Zhang, Sheng; Wu, Han-Jiang

2017-11-01

To explore a new method of reconstruction of through-and-through cheek defects and to evaluate this method's efficacy and patient prognosis. This retrospective study included 70 patients who underwent reconstruction of through-and-through cheek defects. The surgical approach, design of facial skin incisions, selection and design of flaps, postoperative quality of life and prognosis of patients were recorded and reported. Postoperative quality of life gradually increased over time, and the mean scores of University of Washington Quality of Life (UW-QOL) Questionnaire was more than 80 at 1-year postoperatively. The appearance, oral competence, chewing, swallowing, speech and other oral functions were well recovered in about 90% of patients at 1-year postoperatively. This new idea of reconstruction before tumour resection, brings the effect of plastic and reconstructive surgery to a new height. Copyright © 2017. Published by Elsevier Ltd.

Design and Fabrication of 3D printed Scaffolds with a Mechanical Strength Comparable to Cortical Bone to Repair Large Bone Defects

PubMed Central

Roohani-Esfahani, Seyed-Iman; Newman, Peter; Zreiqat, Hala

2016-01-01

A challenge in regenerating large bone defects under load is to create scaffolds with large and interconnected pores while providing a compressive strength comparable to cortical bone (100–150 MPa). Here we design a novel hexagonal architecture for a glass-ceramic scaffold to fabricate an anisotropic, highly porous three dimensional scaffolds with a compressive strength of 110 MPa. Scaffolds with hexagonal design demonstrated a high fatigue resistance (1,000,000 cycles at 1–10 MPa compressive cyclic load), failure reliability and flexural strength (30 MPa) compared with those for conventional architecture. The obtained strength is 150 times greater than values reported for polymeric and composite scaffolds and 5 times greater than reported values for ceramic and glass scaffolds at similar porosity. These scaffolds open avenues for treatment of load bearing bone defects in orthopaedic, dental and maxillofacial applications. PMID:26782020

Design and Fabrication of 3D printed Scaffolds with a Mechanical Strength Comparable to Cortical Bone to Repair Large Bone Defects

NASA Astrophysics Data System (ADS)

Roohani-Esfahani, Seyed-Iman; Newman, Peter; Zreiqat, Hala

2016-01-01

A challenge in regenerating large bone defects under load is to create scaffolds with large and interconnected pores while providing a compressive strength comparable to cortical bone (100-150 MPa). Here we design a novel hexagonal architecture for a glass-ceramic scaffold to fabricate an anisotropic, highly porous three dimensional scaffolds with a compressive strength of 110 MPa. Scaffolds with hexagonal design demonstrated a high fatigue resistance (1,000,000 cycles at 1-10 MPa compressive cyclic load), failure reliability and flexural strength (30 MPa) compared with those for conventional architecture. The obtained strength is 150 times greater than values reported for polymeric and composite scaffolds and 5 times greater than reported values for ceramic and glass scaffolds at similar porosity. These scaffolds open avenues for treatment of load bearing bone defects in orthopaedic, dental and maxillofacial applications.

A Computational Framework for Automation of Point Defect Calculations

NASA Astrophysics Data System (ADS)

Goyal, Anuj; Gorai, Prashun; Peng, Haowei; Lany, Stephan; Stevanovic, Vladan; National Renewable Energy Laboratory, Golden, Colorado 80401 Collaboration

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. The package provides the capability to compute widely accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3as test examples, we demonstrate the package capabilities and validate the methodology. We believe that a robust automated tool like this will enable the materials by design community to assess the impact of point defects on materials performance. National Renewable Energy Laboratory, Golden, Colorado 80401.

Rationally designed small molecules targeting the RNA that causes myotonic dystrophy type 1 are potently bioactive.

PubMed

Childs-Disney, Jessica L; Hoskins, Jason; Rzuczek, Suzanne G; Thornton, Charles A; Disney, Matthew D

2012-05-18

RNA is an important drug target, but it is difficult to design or discover small molecules that modulate RNA function. In the present study, we report that rationally designed, modularly assembled small molecules that bind the RNA that causes myotonic dystrophy type 1 (DM1) are potently bioactive in cell culture models. DM1 is caused when an expansion of r(CUG) repeats, or r(CUG)(exp), is present in the 3' untranslated region (UTR) of the dystrophia myotonica protein kinase (DMPK) mRNA. r(CUG)(exp) folds into a hairpin with regularly repeating 5'CUG/3'GUC motifs and sequesters muscleblind-like 1 protein (MBNL1). A variety of defects are associated with DM1, including (i) formation of nuclear foci, (ii) decreased translation of DMPK mRNA due to its nuclear retention, and (iii) pre-mRNA splicing defects due to inactivation of MBNL1, which controls the alternative splicing of various pre-mRNAs. Previously, modularly assembled ligands targeting r(CUG)(exp) were designed using information in an RNA motif-ligand database. These studies showed that a bis-benzimidazole (H) binds the 5'CUG/3'GUC motif in r(CUG)(exp.) Therefore, we designed multivalent ligands to bind simultaneously multiple copies of this motif in r(CUG)(exp). Herein, we report that the designed compounds improve DM1-associated defects including improvement of translational and pre-mRNA splicing defects and the disruption of nuclear foci. These studies may establish a foundation to exploit other RNA targets in genomic sequence.

Maternal butalbital use and selected defects in the national birth defects prevention study.

PubMed

Browne, Marilyn L; Van Zutphen, Alissa R; Botto, Lorenzo D; Louik, Carol; Richardson, Sandra; Druschel, Charlotte M

2014-01-01

Butalbital is a barbiturate contained in combination products with caffeine and an analgesic prescribed for the treatment of migraine and tension-type headaches. Controversy exists as to whether butalbital should continue to be prescribed in the United States because of the potential for abuse, overuse headache, and withdrawal syndromes. Butalbital crosses the placenta but there is limited information about potential teratogenicity. To evaluate associations between butalbital and a wide range of specific birth defects. The National Birth Defects Prevention Study is an ongoing, case-control study of nonsyndromic, major birth defects conducted in 10 states. The detailed case classification and large number of cases in the National Birth Defects Prevention Study allowed us to examine the association between maternal self-reported butalbital use and specific birth defects. We conducted an analysis of 8373 unaffected controls and 21,090 case infants with estimated dates of delivery between 1997 and 2007; included were birth defects with 250 or more cases. An exploratory analysis examined groups with 100 to 249 cases. Seventy-three case mothers and 15 control mothers reported periconceptional butalbital use. Of 30 specific defect groups evaluated, adjusted odds ratios for maternal periconceptional butalbital use were statistically significant for 3 congenital heart defects: tetralogy of Fallot (adjusted odds ratio = 3.04; 95% confidence interval = 1.07-8.62), pulmonary valve stenosis (adjusted odds ratio = 5.73; 95% confidence interval = 2.25-14.62), and secundum-type atrial septal defect (adjusted odds ratio = 3.06; 95% confidence interval = 1.07-8.79). In the exploratory analysis, an elevated odds ratio was detected for 1 congenital heart defect, single ventricle. We observed relationships between maternal periconceptional butalbital use and certain congenital heart defects. These associations have not been reported before, and some may be spurious. Butalbital use was rare and despite the large size of the National Birth Defects Prevention Study, the number of exposed case and control infants was small. However, if confirmed in additional studies, our findings will be useful in weighing the risks and benefits of butalbital for the treatment of migraine and tension-type headaches. © Published 2013. This article is a U.S. Government work and is in the public domain in the USA.

Behavior of Photocarriers in the Light-Induced Metastable State in the p-n Heterojunction of a Cu(In,Ga)Se2 Solar Cell with CBD-ZnS Buffer Layer.

PubMed

Lee, Woo-Jung; Yu, Hye-Jung; Wi, Jae-Hyung; Cho, Dae-Hyung; Han, Won Seok; Yoo, Jisu; Yi, Yeonjin; Song, Jung-Hoon; Chung, Yong-Duck

2016-08-31

We fabricated Cu(In,Ga)Se2 (CIGS) solar cells with a chemical bath deposition (CBD)-ZnS buffer layer grown with varying ammonia concentrations in aqueous solution. The solar cell performance was degraded with increasing ammonia concentration, due to actively dissolved Zn atoms during CBD-ZnS precipitation. These formed interfacial defect states, such as hydroxide species in the CBD-ZnS film, and interstitial and antisite Zn defects at the p-n heterojunction. After light/UV soaking, the CIGS solar cell performance drastically improved, with a rise in fill factor. With the Zn-based buffer layer, the light soaking treatment containing blue photons induced a metastable state and enhanced the CIGS solar cell performance. To interpret this effect, we suggest a band structure model of the p-n heterojunction to explain the flow of photocarriers under white light at the initial state, and then after light/UV soaking. The determining factor is a p+ defect layer, containing an amount of deep acceptor traps, located near the CIGS surface. The p+ defect layer easily captures photoexcited electrons, and then when it becomes quasi-neutral, attracts photoexcited holes. This alters the barrier height and controls the photocurrent at the p-n junction, and fill factor values, determining the solar cell performance.

Multi-Sensor Data Integration Using Deep Learning for Characterization of Defects in Steel Elements †

PubMed Central

2018-01-01

Nowadays, there is a strong demand for inspection systems integrating both high sensitivity under various testing conditions and advanced processing allowing automatic identification of the examined object state and detection of threats. This paper presents the possibility of utilization of a magnetic multi-sensor matrix transducer for characterization of defected areas in steel elements and a deep learning based algorithm for integration of data and final identification of the object state. The transducer allows sensing of a magnetic vector in a single location in different directions. Thus, it enables detecting and characterizing any material changes that affect magnetic properties regardless of their orientation in reference to the scanning direction. To assess the general application capability of the system, steel elements with rectangular-shaped artificial defects were used. First, a database was constructed considering numerical and measurements results. A finite element method was used to run a simulation process and provide transducer signal patterns for different defect arrangements. Next, the algorithm integrating responses of the transducer collected in a single position was applied, and a convolutional neural network was used for implementation of the material state evaluation model. Then, validation of the obtained model was carried out. In this paper, the procedure for updating the evaluated local state, referring to the neighboring area results, is presented. Finally, the results and future perspective are discussed. PMID:29351215

UCSD/FRA non-contact ultrasonic guided-wave system for rail inspection: an update

NASA Astrophysics Data System (ADS)

Coccia, Stefano; Phillips, Robert; Nucera, Claudio; Bartoli, Ivan; Salamone, Salvatore; Lanza di Scalea, Francesco; Fateh, Mahmood; Carr, Gary

2011-04-01

The University of California at San Diego (UCSD), under a Federal Railroad Administration (FRA) Office of Research and Development (R&D) grant, is developing a system for high-speed and non-contact rail defect detection. A prototype has been designed and field tested with the support of Volpe National Transportation Systems Center and ENSCO, Inc. The goal of this project is to develop a rail defect detection system that provides (a) better defect detection reliability (including internal transverse head defects under shelling and vertical split head defects), and (b) higher inspection speed than achievable by current rail inspection systems. This effort is also in direct response to Safety Recommendations issued by the National Transportation Safety Board (NTSB) following the disastrous train derailments at Superior, WI in 1992 and Oneida, NY in 2007 among others. The UCSD prototype uses non-contact ultrasonic probing of the rail head (laser and air-coupled), ultrasonic guided waves, and a proprietary real-time statistical analysis algorithm that maximizes the sensitivity to defects while minimizing false positives. The current design allows potential inspection speeds up to 40 mph, although all field tests have been conducted up to 15 mph so far. This paper summarizes (a) the latest technology development test conducted at the rail defect farm of Herzog, Inc. in St Joseph, MO in June 2010, and (b) the completion of the new Rail Defect Farm facility at the UCSD Camp Elliott Field Station with partial in-kind donations from the Burlington Northern Santa Fe (BNSF) Railway.

Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

NASA Astrophysics Data System (ADS)

Lutz, Jesse J.; Duan, Xiaofeng F.; Burggraf, Larry W.

2018-03-01

Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the relative quality of various EOMCC and TD-DFT methods for (i) energy-ordering potential ground states differing incrementally in charge and multiplicity, (ii) accurately reproducing experimentally measured photoluminescence peaks, and (iii) energy-ordering defects of different types occurring within a given polytype. The extensibility of this approach to transition-metal defects is also tested by applying it to silicon-substituted chromium defects in SiC and comparing with measurements. It is demonstrated that, when used in conjunction with SIMOMM-optimized geometries, EOMCC-based methods can provide a reliable prediction of the ground-state charge and multiplicity, while also giving a quantitative description of the photoluminescence spectra, accurate to within 0.1 eV of measurement for all cases considered.