WorldWideScience

Sample records for c-si bond formations

  1. Emitter formation using laser doping technique on n- and p-type c-Si substrates

    Science.gov (United States)

    López, G.; Ortega, P.; Colina, M.; Voz, C.; Martín, I.; Morales-Vilches, A.; Orpella, A.; Alcubilla, R.

    2015-05-01

    In this work laser doping technique is used to create highly-doped regions defined in a point-like structure to form n+/p and p+/n junctions applying a pulsed Nd-YAG 1064 nm laser in the nanosecond regime. In particular, phosphorous-doped silicon carbide stacks (a-SiCx/a-Si:H (n-type)) deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD) and aluminum oxide (Al2O3) layers deposited by atomic layer deposition (ALD) on 2 ± 0.5 Ω cm p- and n-type FZ c-Si substrates respectively are used as dopant sources. Laser power and number of pulses per spot are explored to obtain the optimal electrical behavior of the formed junctions. To assess the quality of the p+ and n+ regions, the junctions are electrically contacted and characterized by means of dark J-V measurements. Additionally, a diluted HF treatment previous to front metallization has been explored in order to know its impact on the junction quality. The results show that fine tuning of the energy pulse is critical while the number of pulses has minor effect. In general the different HF treatments have no impact in the diode electrical behavior except for an increase of the leakage current in n+/p junctions. The high electrical quality of the junctions makes laser doping, using dielectric layers as dopant source, suitable for solar cell applications. Particularly, a potential open circuit voltage of 0.64 V (1 sun) is expected for a finished solar cell.

  2. Emitter formation using laser doping technique on n- and p-type c-Si substrates

    Energy Technology Data Exchange (ETDEWEB)

    López, G., E-mail: gema.lopez@upc.edu; Ortega, P.; Colina, M.; Voz, C.; Martín, I.; Morales-Vilches, A.; Orpella, A.; Alcubilla, R.

    2015-05-01

    Highlights: • We use laser doping technique to create highly-doped regions. • Dielectric layers are used as both passivating layer and dopant source. • The high quality of the junctions makes laser doping technique using dielectric layers as dopant source suitable for solar cells applications. - Abstract: In this work laser doping technique is used to create highly-doped regions defined in a point-like structure to form n+/p and p+/n junctions applying a pulsed Nd-YAG 1064 nm laser in the nanosecond regime. In particular, phosphorous-doped silicon carbide stacks (a-SiC{sub x}/a-Si:H (n-type)) deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD) and aluminum oxide (Al{sub 2}O{sub 3}) layers deposited by atomic layer deposition (ALD) on 2 ± 0.5 Ω cm p- and n-type FZ c-Si substrates respectively are used as dopant sources. Laser power and number of pulses per spot are explored to obtain the optimal electrical behavior of the formed junctions. To assess the quality of the p+ and n+ regions, the junctions are electrically contacted and characterized by means of dark J–V measurements. Additionally, a diluted HF treatment previous to front metallization has been explored in order to know its impact on the junction quality. The results show that fine tuning of the energy pulse is critical while the number of pulses has minor effect. In general the different HF treatments have no impact in the diode electrical behavior except for an increase of the leakage current in n+/p junctions. The high electrical quality of the junctions makes laser doping, using dielectric layers as dopant source, suitable for solar cell applications. Particularly, a potential open circuit voltage of 0.64 V (1 sun) is expected for a finished solar cell.

  3. The formation of the positive, fixed charge at c-Si(111)/a-Si$_3$N$_{3.5}$:H interfaces

    CERN Document Server

    Hintzsche, L E; Marsman, M; Lamers, M W P E; Weeber, A W; Kresse, G

    2015-01-01

    Modern electronic devices are unthinkable without the well-controlled formation of interfaces at heterostructures. These often involve at least one amorphous material. Modeling such interfaces poses a significant challenge, since a meaningful result can only be expected by using huge models or by drawing from many statistically independent samples. Here we report on the results of high throughput calculations for interfaces between crystalline silicon (c-Si) and amorphous silicon nitride (a-Si$_3$N$_{3.5}$:H), which are omnipresent in commercially available solar cells. The findings reconcile only partly understood key features. At the interface, threefold coordinated Si atoms are present. These are caused by the structural mismatch between the amorphous and crystalline part. The local Fermi level of undoped c-Si lies well below that of a-SiN:H. To align the Fermi levels in the device, charge is transferred from the a-SiN:H part to the c-Si part resulting in an abundance of positively charged, threefold coord...

  4. ON THE FORMATION OF SILACYCLOPROPENYLIDENE (c-SiC{sub 2}H{sub 2}) AND ITS ROLE IN THE ORGANOSILICON CHEMISTRY IN THE INTERSTELLAR MEDIUM

    Energy Technology Data Exchange (ETDEWEB)

    Parker, Dorian S. N.; Wilson, Anthony V.; Kaiser, Ralf I. [Department of Chemistry, University of Hawaii, Honolulu, HI 96822 (United States); Mayhall, Nicholas J.; Head-Gordon, Martin [Department of Chemistry, University of California, Berkeley, CA 94720 (United States); Tielens, Alexander G. G. M. [Leiden Observatory, University of Leiden, Leiden (Netherlands)

    2013-06-10

    Organosilicon species such as silicon carbide and silicon dicarbide are considered as key molecular building blocks in the chemical evolution of the interstellar medium and are associated with the formation of silicon-carbide dust grains in the outflow of circumstellar envelopes of carbon-rich asymptotic giant branch (AGB) stars. However, the formation mechanisms of even the simplest silicon-bearing organic molecules have remained elusive for decades. Here, we demonstrate in crossed molecular beam experiments combined with ab initio calculations that the silacyclopropenylidene molecule (c-SiC{sub 2}H{sub 2}) can be synthesized in the gas phase under single-collision conditions via the reaction of the silylidyne radical (SiH) with acetylene (C{sub 2}H{sub 2}). This system denotes the simplest representative of a previously overlooked reaction class, in which the formation of an organosilicon molecule can be initiated via barrierless and exoergic reactions of silylidyne radicals with hydrocarbon molecules in circumstellar envelopes of evolved carbon stars such as IRC+10216. Since organosilicon molecules like silacyclopropenylidene can be eventually photolyzed to carbon-silicon clusters such as silicon dicarbide (c-SiC{sub 2}), silacyclopropenylidene might even represent the missing link between simple molecular precursors and silicon-carbide-rich interstellar grains.

  5. Protein folding guides disulfide bond formation

    OpenAIRE

    Qin, Meng; Wang, Wei; Thirumalai, D.

    2015-01-01

    Anfinsen inferred the principles of protein folding by studying a protein containing four disulfide bonds in the native state. However, how protein folding drives disulfide bond formation is poorly understood despite the role such proteins play in variety of extracellular and intracellular functions. We developed a method to mimic the complex chemistry of disulfide bond formation in molecular simulations, which is used to decipher the mechanism of folding of bovine pancreatic trypsin inhibito...

  6. Shedding light on disulfide bond formation

    DEFF Research Database (Denmark)

    Ostergaard, H; Henriksen, A; Hansen, F G;

    2001-01-01

    To visualize the formation of disulfide bonds in living cells, a pair of redox-active cysteines was introduced into the yellow fluorescent variant of green fluorescent protein. Formation of a disulfide bond between the two cysteines was fully reversible and resulted in a >2-fold decrease in the i...... for redox-active cysteines. In the cytoplasm of Escherichia coli, the protein was a sensitive probe for the redox changes that occur upon disruption of the thioredoxin reductive pathway....

  7. Structural characteristics and formation mechanisms of crack-free multilayer TaC/SiC coatings on carbon-carbon composites

    Institute of Scientific and Technical Information of China (English)

    LI Guo-dong; XIONG Xiang; HUANG Bai-yun; HUANG Ke-long

    2008-01-01

    In order to improve high temperature (over 2 273 K) ablation resistance, TaC and TaC/SiC composite coatings were deposited on carbon-carbon composites by CVD method utilizing reactive TaCl5-C3H6-H2-Ar and TaCl5-C3H6-CH3SiCl3-H2-Ar systems respectively. The structure and morphology of these coatings were analyzed by XRD and SEM. The results show that the double carbide coatings have good chemical compatibility during preparation. Two distinctive composition gradients are developed and used to produce multilayer TaC/SiC coatings with low internal stress, free crack and good resistant to thermal shock. A transition layer consisting of either C-TaC or C-SiC formed between the coating and the C/C matrix can reduce the residual stress effectively. The processing parameters were optimized and the possible growth mechanisms for these coatings were proposed. A designing methodology to prepare high performance multilayer TaC/SiC composite coatings was developed.

  8. Remote plasma-assisted oxidation of SiC: a low temperature process for SiC-SiO2 interface formation that eliminates interfacial Si oxycarbide transition regions

    International Nuclear Information System (INIS)

    Remote plasma-assisted oxidation of SiC is a low temperature process, 300 deg. C, for the formation of device quality interfaces on SiC. This paper discusses two aspects of the process: (i) the motivation for eliminating high temperature oxidation processes that can generate silicon oxycarbide, Si-O-C, interfacial regions which can be a source of interfacial defects and (ii) the kinetics of the remote plasma-assisted oxidation process that effectively eliminates interfacial Si oxycarbide transition regions. The differences between interfacial relaxation at Si-SiO2 and SiC-SiO2 are based on the relative stabilities of the suboxides of Si and SiC, SiOx and (Si,C)Ox, respectively

  9. A thermochemical approach to enhance hydrophobicity of SiC/SiO2 powder using γ-methacryloxypropyl trimethoxy silane and octylphenol polyoxyethylene ether (7)

    Science.gov (United States)

    Li, Chunxue; Feng, Dandan; Wang, Xiangke; Li, Zhihong; Zhu, Yumei

    2016-01-01

    A thermochemical synthetic methodology for silicon carbide/silica (SiC/SiO2) powder modified by integrating γ-methacryloxypropyl trimethoxy silane (KH570) and octylphenol polyoxyethylene ether (7) (OP-7) with hydrophilic SiC/SiO2 particles is described. On account of weak hydrophobicity of SiC/SiO2 powder modified by KH570 (SiC/SiO2-KH570), the study focuses on the improvement of hydrophobicity utilizing alkylation reaction between OP-7 and KH570 at high temperature. Compared with using KH570 alone, SiC/SiO2 powder modified by KH570 and OP-7 (SiC/SiO2-KH570-OP-7) shows better water resistance, and also an increased contact angle from 73.8° to 136.4°, resulting thus an improved hydrophobicity. Fourier transform infrared spectroscopy (FTIR), as well as X-ray photoelectron spectroscopy (XPS), was utilized to characterize these surfaces, and the results indicated that KH570 and OP-7 can be covalently bonded on the surface of SiC/SiO2 powder. Furthermore, it has been deeply investigated in the paper not only the possible modes of non-oxidative thermal degradation of OP-7 and KH570, but also the formation mechanism of more hydrophobic SiC/SiO2-KH570-OP-7 powder, which probably will have a potential utility for other inorganic materials.

  10. Machining parameter optimization of C/SiC composites using high power picosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ruoheng; Li, Weinan [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Liu, Yongsheng, E-mail: yongshengliu@nwpu.edu.cn [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China); Wang, Chunhui; Wang, Jing [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China); Yang, Xiaojun [State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision Mechanics, Chinese Academy of Sciences, Xi’an, Shaanxi 10068 (China); Cheng, Laifei, E-mail: liuys99067@163.com [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi’an, Shaannxi 710072 (China)

    2015-03-01

    Highlights: • We found that the helical line width and the helical line spacing, machining time and the scanning speed on the surface morphology of machined holes had remarkable effects on the qualities of micro-holes such as shape and depth. • The debris consisted of C, Si and O was observed on the machined surface. The Si−C bonds of the SiC matrix transformed into Si−O bonds after machined. - Abstract: Picosecond laser is an important machining technology for high hardness materials. In this paper, high power picosecond laser was utilized to drill micro-holes in C/SiC composites, and the effects of different processing parameters including the helical line width and spacing, machining time and scanning speed were discussed. To characterize the qualities of machined holes, scanning electron microscope (SEM) was used to analyze the surface morphology, energy dispersive spectroscopy (EDS) and X-ray photoelectric spectroscopy (XPS) were employed to describe the element composition change between the untreated and laser-treated area. The experimental results indicated that all parameters mentioned above had remarkable effects on the qualities of micro-holes such as shape and depth. Additionally, the debris consisted of C, Si and O was observed on the machined surface. The Si−C bonds of the SiC matrix transformed into Si−O bonds after machined. Furthermore, the physical process responsible for the mechanism of debris formation was discussed as well.

  11. Effect of underlying silicon layer on microstructure and photoluminescence of rapid-thermal-annealed carbon and C/Si nanofilms

    Energy Technology Data Exchange (ETDEWEB)

    Chung, C.K., E-mail: ckchung@mail.ncku.edu.tw [Department of Mechanical Engineering, National Cheng Kung University, Tainan, Taiwan, ROC (China); Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan, ROC (China); Lai, C.W. [Department of Mechanical Engineering, National Cheng Kung University, Tainan, Taiwan, ROC (China); Wu, B.H. [Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan, Taiwan, ROC (China)

    2013-09-15

    Highlights: •Photoluminescence (PL) of carbon films originated from recombination of confined electron–hole pairs. •Broad PL was an interesting topic using varied methods for Si and C reaction. •Asymmetrical broad PL of two-layer Si/C and three-layer Si/C/Si was demonstrated previously. •Here, another C/Si (underlying Si layer) films have further investigated for enhancement of symmetry-like PL. •The effect and mechanism of underlying Si layer thickness on microstructure and PL evolution of two-layer C/Si was studied. -- Abstract: A composite material for broad photoluminescence (PL) from asymmetry to more symmetry-like was proposed by the formation of Si nanocrystals (nc-Si), SiC nanoparticles (np-SiC) and sp{sup 2} carbon cluster which were made from the two-layer C/Si on Si(1 0 0) using rapid-thermal-annealing at 750 °C for 1 min. The effect of underlying Si layer thickness on the microstructure and broad PL of the annealed carbon and two-layer C/Si films has been investigated. Fourier-transform-infrared-absorption spectra indicated that very weak Si–C bonding peak was observed for the annealed single-C film and the enhanced intensity occurred at two-layer C/Si films with underlying thickness of 10–25 nm. Compared to the single-C film, the two-layer C/Si film was beneficial for formation of SiC which increased with Si thickness. A more symmetry-like broad PL band around 400–700 nm was observed at the annealed C/Si films with higher Si thickness of 25 nm while the annealed C film has weak and narrow band. Also, the enhanced symmetry-like PL band was attributed to more amount of np-SiC formation at the bottom of C/Si film together with reduced C thickness which can be potentially applied into white light emission material. The detailed mechanism of broad PL was proposed in terms of microstructure evolution.

  12. Cooperative domain type interlayer $sp^3$-bond formation in graphite

    OpenAIRE

    Nishioka, Keita; Nasu, Keiichiro

    2010-01-01

    Using the classical molecular dynamics and the semiempirical Brenner's potential, we theoretically study the interlayer sigma bond formation, as cooperative and nonlinear phenomena induced by visible light excitations of a graphite crystal. We have found several cases, wherein the excitations of certain lattice sites result in new interlayer bonds even at non-excited sites. We have also found that, a new interlayer bond is easier to be formed around a bond, if it is already existing. As many ...

  13. Behavior of W-SiC/SiC dual layer tiles under LHD plasma exposure

    Science.gov (United States)

    Mohrez, Waleed A.; Kishimoto, Hirotatsu; Kohno, Yutaka; Hirotaki, S.; Kohyama, Akira

    2013-11-01

    Towards the early realization of fusion power reactors, high performance first wall and plasma facing components (PFCs) are essentially required. As one of the biggest challenges for this, high heat flux component (HHFC) design and R & D has been emphasized. This report provides the high performance HHFC materials R & D status and the first plasma exposure test result from large helical device (LHD). W-SiC/SiC dual layer tiles (hereafter, W-SiC/SiC) were developed by applied NITE process. This is the realistic concept of tungsten armor with ceramic composite substrates for fusion power reactors. The dual layer tiles were fabricated and tested their survival under the LHD divertor plasma exposure (Nominally 10 MW/m2 maximum heat load for 6 s operation cycle). The microstructure evolution, including crack and pore formation, was analyzed, besides the behavior of bonding layer between tungsten and SiC/SiC was evaluated by C-scanning images of ultrasonic method and Electron probe Micro-analyzer (EPMA). Thermal analysis was conducted by finite element method, where ANSYS code release 13.0 was used.

  14. Formation of Embedded Microstructures by Thermal Activated Solvent Bonding

    CERN Document Server

    Ng, S H; Wang, Z F; Lu, A C W; Rodriguez, I; De Rooij, N

    2008-01-01

    We present a thermal activated solvent bonding technique for the formation of embedded microstrucutres in polymer. It is based on the temperature dependent solubility of polymer in a liquid that is not a solvent at room temperature. With thermal activation, the liquid is transformed into a solvent of the polymer, creating a bonding capability through segmental or chain interdiffusion at the bonding interface. The technique has advantages over the more commonly used thermal bonding due to its much lower operation temperature (30 degrees C lower than the material's Tg), lower load, as well as shorter time. Lap shear test indicated bonding shear strength of up to 2.9 MPa. Leak test based on the bubble emission technique showed that the bonded microfluidic device can withstand at least 6 bars (87 psi) of internal pressure (gauge) in the microchannel. This technique can be applied to other systems of polymer and solvent.

  15. Interface formation and strength of Be/DSCu diffusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Makino, T. [NGK Insulators Ltd., Nagoya (Japan). Mater. Res. Lab.; Iwadachi, T. [NGK Insulators Ltd., Handa-city (Japan). New Metals Div.

    1998-10-01

    Beryllium has been proposed to be used as a plasma facing material of the first wall for ITER, and will be bonded by HIP process to dispersion strengthened copper (DSCu). Be/DSCu diffusion bonding tests in the range of temperature from 600 C to 850 C by hot pressing techniques have been conducted to identify the effect of bonding temperature and time on interface formation and joint strength. The bonded Be/DSCu joints were evaluated by microstructural analysis of the interface and shear strength tests at room temperature. The diffusion layer of directly bonded Be/DSCu joints and the joints with Be-Cu interlayer consisted of Be{sub 2}Cu({delta}) phase on the Be side and Cu + BeCu({gamma}) phase on the DSCu side, Cu + BeCu({gamma}) phase generated remarkably fast at 800-850 C. The thickness of the diffusion layer was linear to a square root of bonding time. Shear strength of the joints bonded at 650-750 C are all around 200 MPa. Shear strength is dominated by the formation of the layer of Be{sub 2}Cu({delta}) phase on the Be side. (orig.) 2 refs.

  16. Interface formation and strength of Be/DSCu diffusion bonding

    Science.gov (United States)

    Makino, T.; Iwadachi, T.

    1998-10-01

    Beryllium has been proposed to be used as a plasma facing material of the first wall for ITER, and will be bonded by HIP process to Dispersion Strengthened Copper (DSCu). Be/DSCu diffusion bonding tests in the range of temperature from 600°C to 850°C by hot pressing techniques have been conducted to identify the effect of bonding temperature and time on interface formation and joint strength. The bonded Be/DSCu joints were evaluated by microstructural analysis of the interface and shear strength tests at room temperature. The diffusion layer of directly bonded Be/DSCu joints and the joints with Be-Cu interlayer consisted of Be 2Cu( δ) phase on the Be side and Cu + BeCu( γ) phase on the DSCu side. Cu + BeCu( γ) phase generated remarkably fast at 800-850°C. The thickness of the diffusion layer was linear to a square root of bonding time. Shear strength of the joints bonded at 650-750°C are all around 200 MPa. Shear strength is dominated by the formation of the layer of Be 2Cu( δ) phase on the Be side.

  17. Disulfide bond formation in prokaryotes: history, diversity and design.

    Science.gov (United States)

    Hatahet, Feras; Boyd, Dana; Beckwith, Jon

    2014-08-01

    The formation of structural disulfide bonds is essential for the function and stability of a great number of proteins, particularly those that are secreted. There exists a variety of dedicated cellular catalysts and pathways from archaea to humans that ensure the formation of native disulfide bonds. In this review we describe the initial discoveries of these pathways and report progress in recent years in our understanding of the diversity of these pathways in prokaryotes, including those newly discovered in some archaea. We will also discuss the various successful efforts to achieve laboratory-based evolution and design of synthetic disulfide bond formation machineries in the bacterium Escherichia coli. These latter studies have also led to new more general insights into the redox environment of the cytoplasm and bacterial cell envelope. This article is part of a Special Issue entitled: Thiol-Based Redox Processes.

  18. Machining parameter optimization of C/SiC composites using high power picosecond laser

    Science.gov (United States)

    Zhang, Ruoheng; Li, Weinan; Liu, Yongsheng; Wang, Chunhui; Wang, Jing; Yang, Xiaojun; Cheng, Laifei

    2015-03-01

    Picosecond laser is an important machining technology for high hardness materials. In this paper, high power picosecond laser was utilized to drill micro-holes in C/SiC composites, and the effects of different processing parameters including the helical line width and spacing, machining time and scanning speed were discussed. To characterize the qualities of machined holes, scanning electron microscope (SEM) was used to analyze the surface morphology, energy dispersive spectroscopy (EDS) and X-ray photoelectric spectroscopy (XPS) were employed to describe the element composition change between the untreated and laser-treated area. The experimental results indicated that all parameters mentioned above had remarkable effects on the qualities of micro-holes such as shape and depth. Additionally, the debris consisted of C, Si and O was observed on the machined surface. The Sisbnd C bonds of the SiC matrix transformed into Sisbnd O bonds after machined. Furthermore, the physical process responsible for the mechanism of debris formation was discussed as well.

  19. Hydrophobic interactions and hydrogen bonds in \\beta-sheet formation

    CERN Document Server

    Narayanan, Chitra

    2013-01-01

    In this study, we investigate interactions of extended conformations of homodimeric peptides made of small (glycine or alanine) and large hydrophobic (valine or leucine) sidechains using all-atom molecular dynamics simulations to decipher driving forces for \\beta-sheet formation. We make use of a periodic boundary condition setup in which individual peptides are infinitely long and stretched. Dimers adopt \\beta-sheet conformations at short interpeptide distances (\\xi ~ 0.5 nm) and at intermediate distances (~ 0.8 nm), valine and leucine homodimers assume cross-\\beta-like conformations with side chains interpenetrating each other. These two states are identified as minima in the Potential of Mean Force (PMF). While the number of interpeptide hydrogen bonds increases with decreasing interpeptide distance, the total hydrogen bond number in the system does not change significantly, suggesting that formation of \\beta-sheet structures from extended conformations is not driven by hydrogen bonds. This is supported by...

  20. Macrocycle Synthesis by Chloride-Templated Amide Bond Formation.

    Science.gov (United States)

    Martí-Centelles, Vicente; Burguete, M Isabel; Luis, Santiago V

    2016-03-01

    A new family of pseudopeptidic macrocyclic compounds has been prepared involving an anion-templated amide bond formation reaction at the macrocyclization step. Chloride anion was found to be the most efficient template in the macrocyclization process, producing improved macrocyclization yields with regard to the nontemplated reaction. The data suggest a kinetic effect of the chloride template, providing an appropriate folded conformation of the open-chain precursor and reducing the energy barrier for the formation of the macrocyclic product. PMID:26820908

  1. Development and Performance Evaluations of HfO2-Si and Rare Earth-Si Based Environmental Barrier Bond Coat Systems for SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Zhu, Dongming

    2014-01-01

    Ceramic environmental barrier coatings (EBC) and SiCSiC ceramic matrix composites (CMCs) will play a crucial role in future aircraft propulsion systems because of their ability to significantly increase engine operating temperatures, improve component durability, reduce engine weight and cooling requirements. Advanced EBC systems for SiCSiC CMC turbine and combustor hot section components are currently being developed to meet future turbine engine emission and performance goals. One of the significant material development challenges for the high temperature CMC components is to develop prime-reliant, high strength and high temperature capable environmental barrier coating bond coat systems, since the current silicon bond coat cannot meet the advanced EBC-CMC temperature and stability requirements. In this paper, advanced NASA HfO2-Si based EBC bond coat systems for SiCSiC CMC combustor and turbine airfoil applications are investigated. The coating design approach and stability requirements are specifically emphasized, with the development and implementation focusing on Plasma Sprayed (PS) and Electron Beam-Physic Vapor Deposited (EB-PVD) coating systems and the composition optimizations. High temperature properties of the HfO2-Si based bond coat systems, including the strength, fracture toughness, creep resistance, and oxidation resistance were evaluated in the temperature range of 1200 to 1500 C. Thermal gradient heat flux low cycle fatigue and furnace cyclic oxidation durability tests were also performed at temperatures up to 1500 C. The coating strength improvements, degradation and failure modes of the environmental barrier coating bond coat systems on SiCSiC CMCs tested in simulated stress-environment interactions are briefly discussed and supported by modeling. The performance enhancements of the HfO2-Si bond coat systems with rare earth element dopants and rare earth-silicon based bond coats are also highlighted. The advanced bond coat systems, when

  2. Peptide Bond Formation in Water Mediated by Carbon Disulfide.

    Science.gov (United States)

    Leman, Luke J; Huang, Zheng-Zheng; Ghadiri, M Reza

    2015-09-01

    Demonstrating plausible nonenzymatic polymerization mechanisms for prebiotic monomers represents a fundamental goal in prebiotic chemistry. While a great deal is now known about the potentially prebiotic synthesis of amino acids, our understanding of abiogenic polymerization processes to form polypeptides is less well developed. Here, we show that carbon disulfide (CS2), a component of volcanic emission and sulfide mineral weathering, and a widely used synthetic reagent and solvent, promotes peptide bond formation in modest yields (up to ∼20%) from α-amino acids under mild aqueous conditions. Exposure of a variety of α-amino acids to CS2 initially yields aminoacyl dithiocarbamates, which in turn generate reactive 2-thiono-5-oxazolidone intermediates, the thio analogues of N-carboxyanhydrides. Along with peptides, thiourea and thiohydantoin species are produced. Amino acid stereochemistry was preserved in the formation of peptides. Our findings reveal that CS2 could contribute to peptide bond formation, and possibly other condensation reactions, in abiogenic settings. PMID:26308392

  3. Structure and reactivity of bis(silyl) dihydride complexes (PMe(3))(3)Ru(SiR(3))(2)(H)(2): model compounds and real intermediates in a dehydrogenative C-Si bond forming reaction.

    Science.gov (United States)

    Dioumaev, Vladimir K; Yoo, Bok R; Procopio, Leo J; Carroll, Patrick J; Berry, Donald H

    2003-07-23

    . The structure of 4b was determined crystallographically and exhibits a tetrahedral P(3)Si environment around the metal with the three hydrides adjacent to silicon and capping the P(2)Si faces. Although strong Si.HRu interactions are not indicated in the structure or by IR, the HSi distances (2.00(4) - 2.09(4) A) and average coupling constant (J(SiH) = 25 Hz) suggest some degree of nonclassical SiH bonding in the RuH(3)Si moiety. The least hindered complex, 3a, reacts with carbon monoxide principally via an H(2) elimination pathway to yield mer-(PMe(3))(3)(CO)Ru(SiH(2)Ph)(2), with SiH elimination as a minor process. However, only SiH elimination and formation of (PMe(3))(3)(CO)Ru(SiR(3))H is observed for 3b-d. The most hindered bis(silyl) complex, 3d, is extremely labile and even in the absence of CO undergoes SiH reductive elimination to generate the 16e(-) species 1 (DeltaH(SiH)(-)(elim) = 11.0 +/- 0.6 kcal x mol(-)(1) and DeltaS(SiH)(-)(elim) = 40 +/- 2 cal x mol(-)(1) x K(-)(1); Delta = 9.2 +/- 0.8 kcal x mol(-)(1) and Delta = 9 +/- 3 cal x mol(-)(1).K(-)(1)). The minimum barrier for the H(2) reductive elimination can be estimated, and is higher than that for silane elimination at temperatures above ca. -50 degrees C. The thermodynamic preferences for oxidative additions to 1 are dominated by entropy contributions and steric effects. Addition of H(2) is by far most favorable, whereas the relative aptitudes for intramolecular silyl CH activation and intermolecular SiH addition are strongly dependent on temperature (DeltaH(SiH)(-)(add) = -11.0 +/- 0.6 kcal x mol(-)(1) and DeltaS(SiH)(-)(add) = -40 +/- 2 cal.mol(-)(1) x K(-)(1); DeltaH(beta)(-CH)(-)(add) = -2.7 +/- 0.3 kcal x mol(-)(1) and DeltaS(beta)(-CH)(-)(add) = -6 +/- 1 cal x mol(-)(1) x K(-)(1)). Kinetic preferences for oxidative additions to 1 - intermolecular SiH and intramolecular CH - have been also quantified: Delta = -1.8 +/- 0.8 kcal x mol(-)(1) and Delta = -31 +/- 3 cal x mol(-)(1).K(-)(1); Delta = 16

  4. Fabrication of c-Si:H(p)/c-Si(n) Heterojunction Solar Cells with Microcrystalline Emitters

    Institute of Scientific and Technical Information of China (English)

    ZHOU Bing-Qing; LIU Feng-Zhen; ZHANG Qun-Fang; XU Ying; ZHOU Yu-Qin; LIU Jin-Long; ZHU Mei-Fang

    2006-01-01

    The p-type microcrystalline silicon (fj,c-Si) on n-type crystalline silicon (c-Si) heterojunction solar cells is fabricated by radio-frequency plasma enhanced chemical vapour deposition (rf-PECVD). The effect of the pc-Si:H p-layers on the performance of the heterojunction solar cells is investigated. Optimum μcSi:H p-layer is obtained with hydrogen dilution ratio of 99.65%, rf-power of 0.08 W/cm2, gas phase doping ratio of 0.125%, and the p-layer thickness of 15 nm. We fabricate μc-Si:H(p)/c-Si(n) heterojunction solar cells without texturing and obtained an efficiency of 13.4%. The comparisons of the solar-cell performances using different surface passivation techniques are discussed.

  5. Bond formation in ultrasonically welded aluminum sheet metal

    Science.gov (United States)

    Wilkosz, Daniel Edward

    Ultrasonic welding (USW), a solid state joining technology, has been used to bond aluminum alloys commonly used in the automotive industry. Bonding occurs due to USW's high frequency (˜20 kHz) in-plane vibration of sample interfaces while being held under moderate clamp pressure normal to the plane of vibration. Vibration and clamp pressure are transmitted into bond formation via contact with a weld-tip. To better understand how weld-tip geometry affected bond formation, experiments were conducted to quantify how tip geometry influenced plastic deformation characteristics between fully welded coupons of 0.9mm thick AA6111-T4 aluminum alloy. Weld-interface microstructure features were documented by optical microscopy and features quantified in a 19 point matrix. Correlation between microstructure features, such as rolling-wakes, and resulting weld bond strengths of more than 3.0kN is made. Weld zone microstructure features appear to result from deformation at and severe migration of the original weld interface during USW. To confirm this hypothesis, intrinsic and extrinsic markers were employed to monitor weld interface deformation characteristics. Various physical and analytical techniques were used in conjunction with these markers to show that joining of "like" and "dislike" aluminum samples is achieved through mechanical mixing of mating interfaces and not by elemental diffusion. It is also hypothesized that severe deformation of the original interface would result in areas of high residual strain within a formed weld zone. To investigate this and the influence that tip geometry may have on residual strain, fully welded samples were annealed at 500°C for a controlled period of time and recovery, recrystallization and grain growth characteristics were monitored. In all welds, initial recrystallization and grain growth occurred at the outer ends of weld zones and along weld interfaces where the most turbulent mixing and grain size reduction was observed

  6. SiC-SiC and C-SiC Honeycomb for Advanced Flight Structures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed project builds upon the work done in Phase I with the development of a C-SiC CMC honeycomb material that was successfully tested for mechanical...

  7. Hydrogen Bond Formation between the Carotenoid Canthaxanthin and the Silanol Group on MCM-41 Surface.

    Science.gov (United States)

    Gao, Yunlong; Xu, Dayong; Kispert, Lowell D

    2015-08-20

    The formation of one or two hydrogen bonds (H-bonds) between canthaxanthin (CAN), a dye, and the silanol group(s) on the MCM-41 surface has been studied by density functional theory (DFT) calculations and calorimetric experiments. It was found that the formation of the H-bond(s) stabilized the CAN molecule more than its radical cation (CAN(•+)). The charge distribution, bond lengths, and the HOMO and LUMO energies of CAN are also affected. The formation of the H-bond(s) explains the lower photoinduced electron transfer efficiency of CAN imbedded in Cu-MCM-41 versus that for β-carotene (CAR) imbedded in Cu-MCM-41 where complex formation with Cu(2+) dominates. These calculations show that to achieve high electron transfer efficiency for a dye-sensitized solar cell, H-bonding between the dye and the host should be avoided. PMID:26230844

  8. Behaviors of hydrogen in C-SiC films with IR and SIMS analyses

    CERN Document Server

    Huang, N K; Xiong, Q; Liu, Y G; Wang, D Z; Lei, J R

    2002-01-01

    C-SiC films with different content of SiC were prepared with magnetron sputtering deposition followed by Ar sup + ion bombardment. Secondary ion mass spectroscopy depth profiles of hydrogen for the samples of C-SiC coated stainless steel and stainless steel substrate after H sup + ion implantation and thermal annealing show different hydrogen concentrations in C-SiC coatings and stainless steel. Infrared (IR) transmission measurement was selected to study the mechanism of hydrogen retention by C-SiC films. The vibrational spectra in the range between 400 and 3200 cm sup - sup 1 in IR transmission spectra show the Si-CH sub 3 , Si-CH sub 2 , Si-H, CH sub 2 , CH sub 3 etc. bonds, which are responsible for retaining hydrogen. Apart from the mode above, there also exist bonds related to carbon and silicon such as Si-C, C=C. The contamination of oxygen entered the film to form C=O and SiO sub 2 configurations and hydrogen contamination also formed Si-CH sub 2 mode in the films.

  9. 非晶硅/晶体硅(a-Si/c-Si)异质结%Property Investigation of a-Si/c-Si Hetero-Junction Structure

    Institute of Scientific and Technical Information of China (English)

    汪建强; 高华; 张剑; 张松; 李晨; 叶庆好; 孟凡英

    2011-01-01

    通过对非晶硅/晶体硅(a-Si/c-Si)异质结能带不连续、发射结掺杂以及界面态密度进行分析,研究它们对a-Si/c-Si异质结的界面特性,以及a-Si(N+)/c-Si(P)结构电池性能的影响.研究发现,能带不连续以及a-Si发射结高掺杂有利于实现界面复合机制由以悬挂键复合主导的复合机制向由少数载流子复合占主导的SRH(Shockly-Read-Hall)复合机制转变,有效降低界面复合速率.AFORS-HET软件模拟显示:在c-Si(P)衬底掺杂浓度为1.6×1016cm-3时,a-Si(N+)发射结掺杂浓度大于1.5×1020cm-3是获得高电池效率的必要条件;与短路电流密度相比,开路电压受a-Si/c-Si界面态密度影响更明显.%T his paper investigated the influence ot a-hi/c-bi band ottset, amorphous silicon emitter doping concentration and interface defects density on interface property of a-Si/c-Si structure. Band offset in a-Si(N+ )/c-Si(P) hetero-junction and a-Si emitter high level doping is very useful for the transformation of recombination mechanism from dangling bond to SRH (Shockly-Read-Hall). AFORS-HET simulation indicates that a-Si(N+ ) emitter doping level of over 1. 5X1020 cm~3 on c-Si(P) is an indispensable condition for achieving high efficiency. Comparing with density of short circuit current, open circuit voltage of a-Si/c-Si structure cell is much more susceptible to interface defect density.

  10. Thermo-Oxidative Degradation Of SiC/Si3N4 Composites

    Science.gov (United States)

    Baaklini, George Y.; Batt, Ramakrishna T.; Rokhlin, Stanislav I.

    1995-01-01

    Experimental study conducted on thermo-oxidative degradation of composite-material specimens made of silicon carbide fibers in matrices of reaction-bonded silicon nitride. In SiC/Si3N4 composites of study, interphase is 3-micrometers-thick carbon-rich coat on surface of each SiC fiber. Thermo-oxidative degradation of these composites involves diffusion of oxygen through pores of composites to interphases damaged by oxidation. Nondestructive tests reveal critical exposure times.

  11. Formation of Silicon-Gold Eutectic Bond Using Localized Heating Method

    Science.gov (United States)

    Lin, Liwei; Cheng, Yu-Ting; Najafi, Khalil

    1998-11-01

    A new bonding technique is proposed by using localized heating to supplythe bonding energy.Heating is achieved by applying a dc current through micromachined heaters made of gold which serves as both the heating and bonding material.At the interface of silicon and gold, the formation of eutectic bond takes place in about 5 minutes.Assembly of two substrates in microfabrication processescan be achieved by using this method.In this paper the following important results are obtained:1) Gold diffuses into silicon to form a strong eutectic bond by means of localized heating.2) The bonding strength reaches the fracture toughness of the bulk silicon.3) This bonding technique greatly simplifies device fabrication andassembly processes.

  12. High Charge Mobility of a Perylene Bisimide Dye with Hydrogen-bond Formation Group

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A perylene bisimide dye covalently bonded with a hydrogen-bond formation group of 1,3, 5-triazine-2, 4-diamine has been synthesized. Its casting films show a charge carrier mobility over 10-3 cm2/Vs, which is in the range of the highest values found for other promising charge transport materials suitable for solution processable technique.

  13. Shedding light on disulfide bond formation: engineering a redox switch in green fluorescent protein

    DEFF Research Database (Denmark)

    Østergaard, H.; Henriksen, A.; Hansen, Flemming G.;

    2001-01-01

    To visualize the formation of disulfide bonds in living cells, a pair of redox-active cysteines was introduced into the yellow fluorescent variant of green fluorescent protein. Formation of a disulfide bond between the two cysteines was fully reversible and resulted in a >2-fold decrease in the i......To visualize the formation of disulfide bonds in living cells, a pair of redox-active cysteines was introduced into the yellow fluorescent variant of green fluorescent protein. Formation of a disulfide bond between the two cysteines was fully reversible and resulted in a >2-fold decrease...... as a structural reorganization of residues in the immediate chromophore environment. By combining this information with spectroscopic data, we propose a detailed mechanism accounting for the observed redox state-dependent fluorescence. The redox potential of the cysteine couple was found to be within...

  14. Carbon–heteroatom bond formation catalysed by organometallic complexes

    OpenAIRE

    Hartwig, John F.

    2008-01-01

    At one time the synthetic chemist’s last resort, reactions catalysed by transition metals are now the preferred method for synthesizing many types of organic molecule. A recent success in this type of catalysis is the discovery of reactions that form bonds between carbon and heteroatoms (such as nitrogen, oxygen, sulphur, silicon and boron) via complexes of transition metals with amides, alkoxides, thiolates, silyl groups or boryl groups. The development of these catalytic processes has been ...

  15. DNA Charge Transport Leading to Disulfide Bond Formation

    OpenAIRE

    Takada, Tadao; Barton, Jacqueline K.

    2005-01-01

    Here, we show that DNA-mediated charge transport (CT) can lead to the oxidation of thiols to form disulfide bonds in DNA. DNA assemblies were prepared possessing anthraquinone (AQ) as a photooxidant spatially separated on the duplex from two SH groups incorporated into the DNA backbone. Upon AQ irradiation, HPLC analysis reveals DNA ligated through a disulfide. The reaction efficiency is seen to vary in assemblies containing intervening DNA mismatches, confirming that the reaction is DNA-medi...

  16. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    that has seen widespread success involves the use of a proximal heteroatom that serves as a directing group for the selective functionalization of a specific C-H bond. In a survey of examples of heteroatom-directed Rh catalysis, two mechanistically distinct reaction pathways are revealed. In one case, the heteroatom acts as a chelator to bind the Rh catalyst, facilitating reactivity at a proximal site. In this case, the formation of a five-membered metallacycle provides a favorable driving force in inducing reactivity at the desired location. In the other case, the heteroatom initially coordinates the Rh catalyst and then acts to stabilize the formation of a metal-carbon bond at a proximal site. A true test of the utility of a synthetic method is in its application to the synthesis of natural products or complex molecules. Several groups have demonstrated the applicability of C-H bond functionalization reactions towards complex molecule synthesis. Target-oriented synthesis provides a platform to test the effectiveness of a method in unique chemical and steric environments. In this respect, Rh-catalyzed methods for C-H bond functionalization stand out, with several syntheses being described in the literature that utilize C-H bond functionalization in a key step. These syntheses are highlighted following the discussion of the method they employ.

  17. Structure and chemistry of passivated SiC/SiO2 interfaces

    Science.gov (United States)

    Houston Dycus, J.; Xu, Weizong; Lichtenwalner, Daniel J.; Hull, Brett; Palmour, John W.; LeBeau, James M.

    2016-05-01

    Here, we report on the chemistry and structure of 4H-SiC/SiO2 interfaces passivated either by nitric oxide annealing or Ba deposition. Using aberration corrected scanning transmission electron microscopy and spectroscopy, we find that Ba and N remain localized at SiC/SiO2 interface after processing. Further, we find that the passivating species can introduce significant changes to the near-interface atomic structure of SiC. Specifically, we quantify significant strain for nitric oxide annealed sample where Si dangling bonds are capped by N. In contrast, strain is not observed at the interface of the Ba treated samples. Finally, we place these results in the context of field effect mobility.

  18. Investigation of an a-Si/c-Si interface on a c-Si(P) substrate by simulation

    Institute of Scientific and Technical Information of China (English)

    Wang Jianqiang; Gao Hua; Zhang Jian; Meng Fanying; Ye Qinghao

    2012-01-01

    We investigate the recombination mechanism in an a-Si/c-Si interface,and analyze the key factors that influence the interface passivation quality,such as Qs,δp/δn and Dit.The polarity of the dielectric film is very important to the illustration level dependent passivation quality; when nδn =pδp and the defect level Et equal to Ei (c-Si),the defect states are the most effective recombination center,AFORS-HET simulation and analysis indicate that emitter doping and a-Si/c-Si band offset modulation are effective in depleting or accumulating one charged carrier.Interface states (Dit) severely deteriorate Voc compared with Jsc for a-Si/c-Si HJ cell performance when Dit is over 1 × 1010 cm-2.eV-1.For a c-Si(P)/a-Si(P+) structure,ΦBSF in c-Si and Φo in a-Si have different performances in optimization contact resistance and c-Si(P)/a-Si(P+) interface recombination.

  19. Low-Cost, Large C-SiC Blisk Fabrication

    Science.gov (United States)

    Kowbel, W.; Effinger, M.

    2008-01-01

    C-SiC composites offer unique properties for propulsion applications. However, fabrication of low-cost, thick, large scale C-SiC disk for integrally bladed disk (blisk) applications has not been established yet. MER has demonstrated a new process to address this issue. Polymer-based processing was employed for interfacial coatings, consolidation and densification. Up to 40" O.C., 2" thick C-SiC composite processing was established, yielding in excess of 1.8 g/cu cm density. Computer tomography (CT) scans on the 40" O.D., 2" thick C-SiC disk showed no visible delamination, and good density uniformity. Stress-rupture testing in air was conducted at 2200 F, 2400 F and 2550 F.

  20. C-SiC Honeycomb for Advanced Flight Structures Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed project is to manufacture a C-SiC honeycomb structure to use as a high temperature material in advanced aircraft, spacecraft and industrial...

  1. Phase formation at bonded vanadium and stainless steel interfaces

    International Nuclear Information System (INIS)

    The interface between vanadium bonded to stainless steel was studies to determine whether a brittle phase formed during three joining operations. Inertia friction welds between V and 21-6-9 stainless steel were examined using TEM. In the as-welded condition, a continuous, polygranular intermetallic layer about 0.25 μm thick was present at the interface. This layer grew to about 50 μm thick during heat treatment at 1000 degrees C for two hours. Analysis of electron diffraction patterns confirmed that this intermetallic was the ω phase. The interface between vanadium and type 304, SANDVIK SAF 2205, and 21-6-9 stainless steel bonded by a co-extrusion process had intermetallic particles at the interface in the as-extruded condition. Heat treatment at 1000 degrees C for two hours caused these particles to grow into continuous layers in all three cases. Based on the appearance, composition and hardness of this interfacial intermetallic, it was also concluded to be ω phase. Bonding V to type 430 stainless steel by co-extrusion caused V-rich carbides to form at the interface due to the higher concentration of C in the type 430 than in the other stainless steels investigated. The carbide particles initially present grew into a continuous layer during a two-hour heat treatment at 1000 degrees C. Co-hipping 21-6-9 stainless steel tubing with V rod resulted in slightly more concentric specimens than the co-extruded ones, but a continuous layer of the ω phase formed during the hipping operation. This brittle layer could initiate failure during subsequent forming operations. The vanadium near the stainless steel interface in the co-extruded and co-hipped tubing in some cases was harder than before heat treatment. It was concluded that this hardening was due to thermal straining during cooling following heat treatment and that thermal strains might present a greater problem than seen here when longer tubes are used in actual applications

  2. ELECTRONIC STRUCTURE OF CLUSTER ASSEMBLED Al12C (Si) SOLID

    Institute of Scientific and Technical Information of China (English)

    QUAN HONG-JUN; GONG XIN-GAO

    2000-01-01

    The electronic structures of the cluster-assembled solid Al12C (Si) are studied by the ab initio method. We find that Al12C (Si) can solidify into a van der Waals solid. The electronic band structures show very weak dispersion. The main features in the electronic structure of cluster are retained in the solid, and an energy gap up to about 1.5 eV is observed for Al12C and Al12Si solids.

  3. Formation of H3+ due to Intramolecular Bond Rearrangement in Doubly Charged Methanol

    Science.gov (United States)

    de, Sankar; Rajput, Jyoti; Roy, A.; Ghosh, P. N.; Safvan, C. P.

    2006-11-01

    We report the formation of H3+ by proton coagulation in methanol under the impact of low energy Ar8+ projectiles. Our time-of-flight coincidence measurements with CH3OD establish that the H3+ formation arises from intramolecular bond rearrangement of the methyl group. We have performed ab initio quantum chemical calculations that show the preferred pathway for C-H3 bond cleavage. Fragmentation of organic molecules like methanol under impact of highly charged ions is suggested as an alternative mechanism of H3+ formation in outer space.

  4. Formation of RNA phosphodiester bond by histidine-containing dipeptides

    DEFF Research Database (Denmark)

    Wieczorek, Rafal; Dörr, Mark; Chotera, Agata;

    2013-01-01

    in self-organised environment, a water-ice eutectic phase, with low concentrations of reactants. Incubation periods up to 30 days resulted in the formation of short oligomers of RNA. During the oligomerisation, an active intermediate (dipeptide-mononucleotide) is produced, which is the reactive species...

  5. Maturation of Pseudomonas aeruginosa elastase - Formation of the disulfide bonds

    NARCIS (Netherlands)

    Braun, P; Ockhuijsen, C; Eppens, E; Koster, M; Bitter, W; Tommassen, J

    2001-01-01

    Elastase of Pseudomonas aeruginosa is synthesized as a preproenzyme. After propeptide-mediated folding in the periplasm, the proenzyme is autoproteolytically processed, prior to translocation of both the mature enzyme and the propeptide across the outer membrane. The formation of the two disulfide b

  6. In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

    OpenAIRE

    Jongsma, Marije A.; van der Mei, Henny C.; Atema-Smit, Jelly; Busscher, Henk J.; Ren, Yijin

    2015-01-01

    Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased pocket depth and bleeding on probing. This study compares in vivo biofilm formation on single-strand and multi-strand retention wires with different oral health-care regimens. Two-centimetre wires we...

  7. Preventing disulfide bond formation weakens non-covalent forces among lysozyme aggregates.

    Directory of Open Access Journals (Sweden)

    Vijay Kumar Ravi

    Full Text Available Nonnative disulfide bonds have been observed among protein aggregates in several diseases like amyotrophic lateral sclerosis, cataract and so on. The molecular mechanism by which formation of such bonds promotes protein aggregation is poorly understood. Here in this work we employ previously well characterized aggregation of hen eggwhite lysozyme (HEWL at alkaline pH to dissect the molecular role of nonnative disulfide bonds on growth of HEWL aggregates. We employed time-resolved fluorescence anisotropy, atomic force microscopy and single-molecule force spectroscopy to quantify the size, morphology and non-covalent interaction forces among the aggregates, respectively. These measurements were performed under conditions when disulfide bond formation was allowed (control and alternatively when it was prevented by alkylation of free thiols using iodoacetamide. Blocking disulfide bond formation affected growth but not growth kinetics of aggregates which were ∼50% reduced in volume, flatter in vertical dimension and non-fibrillar in comparison to control. Interestingly, single-molecule force spectroscopy data revealed that preventing disulfide bond formation weakened the non-covalent interaction forces among monomers in the aggregate by at least ten fold, thereby stalling their growth and yielding smaller aggregates in comparison to control. We conclude that while constrained protein chain dynamics in correctly disulfide bonded amyloidogenic proteins may protect them from venturing into partial folded conformations that can trigger entry into aggregation pathways, aberrant disulfide bonds in non-amyloidogenic proteins (like HEWL on the other hand, may strengthen non-covalent intermolecular forces among monomers and promote their aggregation.

  8. Optimization of μc-Si1−xGex:H Single-Junction Solar Cells with Enhanced Spectral Response and Improved Film Quality

    Directory of Open Access Journals (Sweden)

    Yen-Tang Huang

    2015-01-01

    Full Text Available Effects of RF power on optical, electrical, and structural properties of μc-Si1−xGex:H films was reported. Raman and FTIR spectra from μc-Si1−xGex:H films reflected the variation in microstructure and bonding configuration. Unlike increasing the germane concentration for Ge incorporation, low RF power enhanced Ge incorporation efficiency in μc-Si1−xGex:H alloy. By decreasing RF power from 100 to 50 W at a fixed reactant gas ratio, the optical bandgap of μc-Si1−xGex:H was reduced owing to the increase in Ge content from 11.2 to 23.8 at.%, while Ge-related defects and amorphous phase were increased. Consequently, photo conductivity of 1.62 × 10−5 S/cm was obtained for the μc-Si1−xGex:H film deposited at 60 W. By applying 0.9 μm thick μc-Si1−xGex:H absorber with XC of 48% and [Ge] of 16.4 at.% in the single-junction cell, efficiency of 6.18% was obtained. The long-wavelength response of μc-Si1−xGex:H cell was significantly enhanced compared with the μc-Si:H cell. In the case of tandem cells, 0.24 μm a-Si:H/0.9 μm μc-Si1−xGex:H tandem cell exhibited a comparable spectral response as 0.24 μm a-Si:H/1.4 μm μc-Si:H tandem cell and achieved an efficiency of 9.44%.

  9. Optical and optomechanical ultralightweight C/SiC components

    Science.gov (United States)

    Papenburg, Ulrich; Pfrang, Wilhelm; Kutter, G. S.; Mueller, Claus E.; Kunkel, Bernd P.; Deyerler, Michael; Bauereisen, Stefan

    1999-11-01

    Optical and optomechanical structures based on silicon carbide (SiC) ceramics are becoming increasingly important for ultra- lightweight optical systems that must work in adverse environments. At IABG and Dornier Satellite Systems (DSS) in Munich, a special form of SiC ceramics carbon fiber reinforced silicon carbide (C/SiCR) has been developed partly under ESA and NASA contracts. C/SiCR is a light-weight, high- strength engineering material that features tunable mechanical and thermal properties. It offers exceptional design freedom due to its reduced brittleness and negligible volume shrinkage during processing in comparison to traditional, powder-based ceramics. Furthermore, its rapid fabrication process produces near-net-shape components using conventional NC machining/milling equipment and, thus, provides substantial schedule, cost, and risk savings. These characteristics allow C/SiCR to overcome many of the problems associated with more traditional optical materials. To date, C/SiCR has been used to produce ultra-lightweight mirrors and reflectors, antennas, optical benches, and monolithic and integrated reference structures for a variety of space and terrestrial applications. This paper describes the material properties, optical system and structural design aspects, the forming and manufacturing process including high-temperature joining technology, precision grinding and cladding techniques, and the performance results of a number of C/SiCR optical components we have built.

  10. Iterative reactions of transient boronic acids enable sequential C-C bond formation

    Science.gov (United States)

    Battilocchio, Claudio; Feist, Florian; Hafner, Andreas; Simon, Meike; Tran, Duc N.; Allwood, Daniel M.; Blakemore, David C.; Ley, Steven V.

    2016-04-01

    The ability to form multiple carbon-carbon bonds in a controlled sequence and thus rapidly build molecular complexity in an iterative fashion is an important goal in modern chemical synthesis. In recent times, transition-metal-catalysed coupling reactions have dominated in the development of C-C bond forming processes. A desire to reduce the reliance on precious metals and a need to obtain products with very low levels of metal impurities has brought a renewed focus on metal-free coupling processes. Here, we report the in situ preparation of reactive allylic and benzylic boronic acids, obtained by reacting flow-generated diazo compounds with boronic acids, and their application in controlled iterative C-C bond forming reactions is described. Thus far we have shown the formation of up to three C-C bonds in a sequence including the final trapping of a reactive boronic acid species with an aldehyde to generate a range of new chemical structures.

  11. Enhanced van der Waals epitaxy via electron transfer-enabled interfacial dative bond formation

    CERN Document Server

    Xie, Weiyu; Wang, Gwo-Ching; Bhat, Ishwara; Zhang, Shengbai

    2016-01-01

    Enhanced van der Waals (vdW) epitaxy of semiconductors on layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layered material, first-principles calculations reveal that the bond strength at CdTe-NbSe2 interface is five times as large as that of vdW interaction at CdTe-graphene interface. The unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at CdTe surface to metallic non-bonding NbSe2 states, which is a necessary condition to activate the Cd for enhanced binding with Se.

  12. Syntheses and growth mechanisms of 3C-SiC nanostructures from carbon and silicon powders.

    Science.gov (United States)

    Zhu, J; Xiong, X; Chen, H T; Wu, X L; Zhang, W C; Chu, Paul K

    2009-11-01

    Cubic silicon carbide (3C-SiC) nanostructures such as needle- and Y-shaped nanowhiskers, smooth and pagoda-shaped nanorods are synthesized on a large scale from activated carbon and silicon powders at 1250 degrees C under atmospheric pressure. The use of ball-milled silicon powders results in the formation of nanowires and nanowhiskers, whereas non-milled silicon powders lead to nanorods together with unreacted silicon powders. Residual oxygen in the growth chamber initiates the carburization reactions which can proceed without further oxygen consumption. The size and morphology of the as-synthesized 3C-SiC nanostructures are observed to be related to the size and morphology of the starting silicon particles. An oxygen-assisted gas-solid model is proposed to explain the observed nanostructures. PMID:19908579

  13. Ring-opening of cyclic ethers with carbon–carbon bond formation by Grignard reagents

    DEFF Research Database (Denmark)

    Christensen, Stig Holden; Holm, Torkil; Madsen, Robert

    2014-01-01

    The ring-opening of cyclic ethers with concomitant C–C bond formation was studied with a number of Grignard reagents. The transformation was performed in a sealed vial by heating to ∼160 °C in an aluminum block or at 180 °C in a microwave oven. Good yields of the product alcohols were obtained wi...

  14. The formation process of the pellet-cladding bonding layer in high burnup BWR fuels

    International Nuclear Information System (INIS)

    The bonding formation process was studied by EPMA analysis, XRD measurements, and SEM/TEM observations for the oxide layer on a cladding inner surface and the pellet-cladding bonding layer in irradiated fuel rods. Specimens were prepared from fuels which had been irradiated to the pellet average burnups of 15, 27, 42 and 49 GWd/t in BWRs. In the lower burnup specimens of 15 and 27 GWd/t, no bonding layer was found, while the higher burnup specimens of 42 and 49 GWd/t had a typical bonding layer about 10 to 20 μm thick. A bonding layer which consisted of two regions was found in the latter fuels. One region of the inner surface of the Zr liner cladding was made up mainly of ZrO2 with a small amount of dissolved UO2. The structure of this ZrO2 consisted of cubic polycrystals a few nanometers in size, while no monoclinic crystals were found. The other region, near the pellet surface, had both a cubic solid solution of (U,Zr)O2 and amorphous phase in which the concentrations of UO2 and ZrO2 changed continuously. Even in the lower burnup specimens having no bonding layer, cubic ZrO2 phase was identified in the cladding inner oxide layer. The XRD measurements were consistent with the TEM results of the absence of the monoclinic ZrO2 phase. Phase transformation and amorphization were attributed to fission damage, since such phenomena have never been observed in the cladding outer surface. Phase transformation from monoclinic to cubic ZrO2 and amorphization by irradiation damage of fission products were discussed in connection with the formation mechanism and conditions of the bonding layer. (author)

  15. Phase Stability and Thermal Conductivity of Composite Environmental Barrier Coatings on SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Benkel, Samantha; Zhu, Dongming

    2011-01-01

    Advanced environmental barrier coatings are being developed to protect SiC/SiC ceramic matrix composites in harsh combustion environments. The current coating development emphasis has been placed on the significantly improved cyclic durability and combustion environment stability in high-heat-flux and high velocity gas turbine engine environments. Environmental barrier coating systems based on hafnia (HfO2) and ytterbium silicate, HfO2-Si nano-composite bond coat systems have been processed and their stability and thermal conductivity behavior have been evaluated in simulated turbine environments. The incorporation of Silicon Carbide Nanotubes (SiCNT) into high stability (HfO2) and/or HfO2-silicon composite bond coats, along with ZrO2, HfO2 and rare earth silicate composite top coat systems, showed promise as excellent environmental barriers to protect the SiC/SiC ceramic matrix composites.

  16. Lightweight C/SiC mirrors for space application

    Science.gov (United States)

    Zhou, Hao; Zhang, Chang-rui; Cao, Ying-bin; Zhou, Xin-gui

    2006-02-01

    Challenges in high resolution space telescopes have led to the desire to create large primary mirror apertures. Ceramic mirrors and complex structures are becoming more important for high precision lightweight optical applications in adverse environments. Carbon-fiber reinforced silicon carbide (C/SiC) has shown great potential to be used as mirror substrate. This material has a high stiffness to weight ratio, dimensional stability from ambient to cryo temperatures, and thermal conductivity, low thermal expansion as well. These properties make C/SiC very attractive for a variety of applications in precision optical structures, especially when considering space-borne application. In this paper, lightweight C/SiC mirror prepared for a scan mirror of a high resolution camera is presented. The manufacturing of C/SiC mirror starts with a porous rigid felt made of short chopped carbon fibers. The fibers are molded with phenolic resin under pressure to form a carbon fiber reinforced plastic blank, followed by a pyrolization process by which the phenolic resin reacts to a carbon matrix. The C/C-felt can be machined by standard computer controlled milling techniques to any virtual shape. This is one of the most significant advantages of this material, as it drastically reduces the making costs and enables the manufacture of truly ultra-lightweight mirrors, reflectors and structures. Upon completion of milling, the C/C-felt preform is mounted in a high-temperature furnace together with silicon and heated under vacuum condition to 1500°C at which the silicon changes into liquid phase. Subsequently, the molten silicon is infiltrated into the porous preform under capillary forces to react with carbon matrix and the surfaces of the carbon fibers to form a density C/SiC substrate. The C/SiC material retains the preform shape to within a tight tolerance after sintering means the ceramization process is a nearly net shaping process. Reactive melt infiltrated C/SiC, followed by

  17. Nanoscale SiC production by ballistic ion beam mixing of C/Si multilayer structures

    Science.gov (United States)

    Battistig, G.; Zolnai, Z.; Németh, A.; Panjan, P.; Menyhárd, M.

    2016-05-01

    The ion beam-induced mixing process using Ar+, Ga+, and Xe+ ion irradiation has been used to form SiC rich layers on the nanometer scale at the interfaces of C/Si/C/Si/C multilayer structures. The SiC depth distributions were determined by Auger electron spectroscopy (AES) depth profiling and were compared to the results of analytical models developed for ballistic ion mixing and local thermal spike induced mixing. In addition, the measured SiC depth distributions were correlated to the Si and C mixing profiles simulated by the TRIDYN code which can follow the ballistic ion mixing process as a function of ion fluence. Good agreement has been found between the distributions provided by AES depth profiling and TRIDYN on the assumption that the majority of the Si (C) atoms transported to the neighboring C (Si) layer form the SiC compound. The ion beam mixing process can be successfully described by ballistic atomic transport processes. The results show that SiC production as a function of depth can be predicted, and tailored compound formation on the nanoscale becomes feasible, thus leading to controlled synthesis of protective SiC coatings at room temperature.

  18. SiC/Si-W-Mo coating for protection of C/C composites at 1873 K

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In order to prevent carbon/carbon composites from oxidation at 1873 K,an efficient oxidation protective SiC/Si-W-Mo coating was prepared by a two-step pack cementation technique.The microstmctures and the phase composition of the as-received multi-coating were examined by scanning electron microscopy (SEND and X-ray diffraction (XRD).It is seen that the compact multi-coating is composed of α-SiC,Si,and (WxMo1-x)Si2·Oxidation test shows that,after oxidation at 1873 K in air for 102 h and thermal cycling between 1873 K and room temperature for 10 times,the weight loss of the SiC/Si-W-Mo coated C/C composites is only 0.26%.The invalidation of the multi-coating is attributed to the formation of penetrable cracks in the coating.

  19. In situ synthesis of ZrC/SiC nanocomposite via carbothermic reduction of binary xerogel

    International Nuclear Information System (INIS)

    Highlights: • ZrC/SiC Nanocomposite was prepared via carbothermic reduction. • The percentage of carbon added was higher than stoichiometric. • The silicon carbide was formed in size of about 50 nm and in a rod like structure. • The zirconium carbide was formed in a spherical like structure. • The composite was synthesized at much lower than mentioned in literature. - Abstract: Nano-sized powder composite of zirconium carbide/silicon carbide (ZrC/SiC) was successfully synthesized via a combined sol gel/carbothermic reduction techniques. A sol containing zirconium from zirconium n-propoxide (ZTP) as well as a sol containing silicon from tetraethoxy orthosilicate (TEOS) was separately prepared. The two sols were mixed together for preparing a binary gel containing both. The produced binary xerogel was subjected to a carbothermic reduction reaction at temperature of 1500 °C for 3 h. The synthesized powder was characterized from compositional as well as morphological point of views using XRD, FT-IR, XPS, SEM and TEM analysis. The XRD data revealed that the powder composite consisted of pure ZrC/SiC was produced. This data was confirmed by presence of main planes (0 1 0) and (0 1 1) for ZrC and (1 1 1) plane for SiC, respectively. Moreover, XPS with help of FT-IR data show obviously that the ZrC/SiC composite was formed with traces of zirconium oxycarbide. Furthermore, SEM and TEM images confirmed that cubic nano-sized ZrC particles of size ∼40 nm and hexagonal β-SiC nano-rods of size ∼50 nm were obtained. In addition, the thermogravimetric analysis of the produced nanocomposite revealed the high homogeneity in the particle size distribution. Based on the obtained data, a mechanism of nanocomposite formation was postulated

  20. In situ synthesis of ZrC/SiC nanocomposite via carbothermic reduction of binary xerogel

    Energy Technology Data Exchange (ETDEWEB)

    El-Sheikh, S.M. [Nano-structured Materials Division, Central Metallurgical Research and Development Institute, CMRDI, P.O. Box: 87 Helwan, 11421 Helwan (Egypt); Zaki, Z.I. [Ceramic and Refractory Materials Division, Central Metallurgical Research and Development Institute, CMRDI, P.O. Box: 87 Helwan, 11421 Helwan (Egypt); Ahmed, Y.M.Z., E-mail: yayoyasser@yahoo.com [Ceramic and Refractory Materials Division, Central Metallurgical Research and Development Institute, CMRDI, P.O. Box: 87 Helwan, 11421 Helwan (Egypt)

    2014-11-15

    Highlights: • ZrC/SiC Nanocomposite was prepared via carbothermic reduction. • The percentage of carbon added was higher than stoichiometric. • The silicon carbide was formed in size of about 50 nm and in a rod like structure. • The zirconium carbide was formed in a spherical like structure. • The composite was synthesized at much lower than mentioned in literature. - Abstract: Nano-sized powder composite of zirconium carbide/silicon carbide (ZrC/SiC) was successfully synthesized via a combined sol gel/carbothermic reduction techniques. A sol containing zirconium from zirconium n-propoxide (ZTP) as well as a sol containing silicon from tetraethoxy orthosilicate (TEOS) was separately prepared. The two sols were mixed together for preparing a binary gel containing both. The produced binary xerogel was subjected to a carbothermic reduction reaction at temperature of 1500 °C for 3 h. The synthesized powder was characterized from compositional as well as morphological point of views using XRD, FT-IR, XPS, SEM and TEM analysis. The XRD data revealed that the powder composite consisted of pure ZrC/SiC was produced. This data was confirmed by presence of main planes (0 1 0) and (0 1 1) for ZrC and (1 1 1) plane for SiC, respectively. Moreover, XPS with help of FT-IR data show obviously that the ZrC/SiC composite was formed with traces of zirconium oxycarbide. Furthermore, SEM and TEM images confirmed that cubic nano-sized ZrC particles of size ∼40 nm and hexagonal β-SiC nano-rods of size ∼50 nm were obtained. In addition, the thermogravimetric analysis of the produced nanocomposite revealed the high homogeneity in the particle size distribution. Based on the obtained data, a mechanism of nanocomposite formation was postulated.

  1. SiC/SiC composites and application%SiC/SiC复合材料及其应用

    Institute of Scientific and Technical Information of China (English)

    李崇俊

    2013-01-01

    日本开发的Nicalon和Tyranno两种品牌的SiC纤维占有世界上绝对性的市场份额.SiC/SiC复合材料典型的界面层是500 nm厚的单层热解碳(PyC)涂层或多层(PyC-SiC)n涂层,在湿度燃烧环境及中高温条件下界面层的稳定性是应用研究的重点.SiC/SiC复合材料,包括CVI-SiC基体和日本开发的Tyranno hex和NITE-SiC基体等,具有耐高温、耐氧化性和耐辐射性的特点,在航空涡轮发动机部件、航天热结构部件及核聚变反应堆炉第一壁材料等方面正开展工程研制应用.%The two trademarks of Nicalon and Tyranno SiC fibers,developed in Japan,occupy the overwhelming world market.The typical interlayer in SiC/SiC composites is either a single pyrolytic carbon (PyC) coating with a thickness of 500nm or multilayered (PyC-SiC)n coatings.The fiber/matrix interlayer stabilities in SiC/SiC composites are a key research topic for applications in the wet combustion environment with high temperature.The CVI-SiC matrix based SiC/SiC composites,as well as Japan produced Tyranno-hex composites and NITESiC matrix,perform the characteristics of high temperature,anti-oxidation and anti-irradiation,and are having been progressed into engineering application in the fields of aircraft turbine engine components,aerospace thermostructural parts and fusion reactor thermo-structural materials.

  2. Drinking alcohol has sex-dependent effects on pair bond formation in prairie voles.

    Science.gov (United States)

    Anacker, Allison M J; Ahern, Todd H; Hostetler, Caroline M; Dufour, Brett D; Smith, Monique L; Cocking, Davelle L; Li, Ju; Young, Larry J; Loftis, Jennifer M; Ryabinin, Andrey E

    2014-04-22

    Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, female PP is not inhibited, and may be facilitated by alcohol. Behavior and neurochemical analysis suggests that the effects of alcohol on social bonding are mediated by neural mechanisms regulating pair bond formation and not alcohol's effects on mating, locomotor, or aggressive behaviors. Several neuropeptide systems involved in the regulation of social behavior (especially neuropeptide Y and corticotropin-releasing factor) are modulated by alcohol drinking during cohabitation. These findings provide the first evidence to our knowledge that alcohol has a direct impact on the neural systems involved in social bonding in a sex-specific manner, providing an opportunity to explore the mechanisms by which alcohol affects social relationships. PMID:24711424

  3. Nickel-catalyzed Csp2-Csp3 bond formation by carbon-fluorine activation.

    Science.gov (United States)

    Sun, Alex D; Leung, Kaylyn; Restivo, Anita D; LaBerge, Nicole A; Takasaki, Harumi; Love, Jennifer A

    2014-03-10

    We report herein a general catalytic method for Csp(2)-Csp(3) bond formation through C-F activation. The process uses an inexpensive nickel complex with either diorganozinc or alkylzinc halide reagents, including those with β-hydrogen atoms. A variety of fluorine substitution patterns and functional groups can be readily incorporated. Sequential reactions involving different precatalysts and coupling partners permit the synthesis of densely functionalized fluorinated building blocks.

  4. Highly Shocked Polymer Bonded Explosives at a Nonplanar Interface: Hot-Spot Formation Leading to Detonation

    OpenAIRE

    An, Qi; Goddard, William A.; Zybin, Sergey V.; Jaramillo-Botero, Andres; Zhou, Tingting

    2013-01-01

    We report reactive molecular dynamics simulations using the ReaxFF reactive force field to examine shock-induced hot-spot formation followed by detonation initiation in realistic (2.7 million atoms) models of polymer bonded explosives (PBX) with nonplanar interfaces. We considered here two energetic materials (EMs) pentaerythritol tetranitrate (PETN), a common EM for PBX, and silicon pentaerythritol tetranitrate (Si-PETN), which is so extremely sensitive that it has not been possible to chara...

  5. Low temperature sintering of ZrC-SiC composite

    International Nuclear Information System (INIS)

    Highlights: → Zirconium carbide, silicon, and graphite powders were used as raw materials to prepare ZrC-SiC composite. → ZrC-30 vol.%SiC was sintered to a relative density of >96.1% at 1800 deg. C by SPS. → The obtained ZrC-30 vol.%SiC composite exhibited a fine microstructure and excellent mechanical properties. - Abstract: High-energy ball milling and spark plasma sintering were adopted to prepare ZrC-SiC composite. Zirconium carbide, silicon, and graphite powders were used as raw materials. ZrC-30 vol.%SiC was sintered to a relative density of >96.1% at 1800 deg. C. The composite showed a fine microstructure. The fracture strength reached up to 523.4 MPa, Vickers' hardness 18.8 GPa, fracture toughness 4.0 MPa m1/2, and elastic modulus 390.5 GPa.

  6. The key role of hydrogen in the growth of SiC/SiO{sub 2} nanocables

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Camacho, E; Fernandez, M; Gomez-Aleixandre, C [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, 28049 Madrid (Spain)], E-mail: elelopca@icmm.csic.es, E-mail: mercedes@icmm.csic.es, E-mail: cgaleix@icmm.csic.es

    2008-07-30

    SiC/SiO{sub 2} nanocables, consisting of a crystalline SiC core surrounded by an amorphous silica shell, have been grown by thermal chemical vapour deposition (CVD) at 950 deg. C on Ni-covered silicon substrates. The addition of methane to a 375 Torr hydrogen atmosphere, after heating the substrate in argon, leads to the growth of the SiC/SiO{sub 2} nanocables, by the carbothermal reduction of silicon oxide as the initial stage. The growth mechanism follows the model previously proposed by us for a reducing medium. From the results obtained, several effects of hydrogen on the deposition process have been established: (a) reduction of the nickel nucleation sites, thus favouring the formation of SiC from the initial stage; (b) oxygen removal in the medium hindering the oxidative effect over the SiO and C species, thus promoting the nanocable growth, and (c) increase of the SiO concentration in the neighbourhood of the active nucleation sites. In addition, it is important to mention that SiC/SiO{sub 2} nanocables, following the already proposed model, are obtained uniquely in a narrow hydrogen pressure range. At high hydrogen pressure, the unexpected formation of silica nanowires together with the SiC/SiO{sub 2} nanocables has been detected.

  7. Structural investigation of the amorphous/crystalline interface by means of quantitative high-resolution transmission electron microscopy on the systems a-Si/c-Si and a-Ge/c-Si; Strukturelle Untersuchung der amorph/kristallinen Grenzflaeche mittels quantitativer hochaufloesender Transmissionselektronenmikroskopie an den Systemen a-Si/c-Si und a-Ge/c-Si

    Energy Technology Data Exchange (ETDEWEB)

    Thiel, K.

    2006-11-02

    In this Thesis the interfaces between covalently bonded crystalline and amorphous materials were studied with regard to the induced ordering in the amorphous material in the interfacial region by means of high-resolution transmission electron microscopy (HREM). The interface between amorphous germanium and crystalline silicon and the interface between amorphous and crystalline silicon served as material system. In order to quantify the influence of the crystalline order on the amorphous material, the HREM images were periodically averaged along the interface. The intensity components, which are correlated with the period of the lattice image, could thus be separated from the statistical intensity fluctuations, which are characteristic for images of amorphous materials. Since amorphous materials can only be described meaningful by statistical distribution functions, for the induced order a three-dimensional distribution function {rho}{sub 3D}(r) was taken as a basis, which describes the probability to find an atom in the amorphous material, if r=0 is the position of an atom in the crystal. Its two-dimensional projection, {rho}, can be determined using iterative image matching techniques on averaged experimental and simulated interface images. For the analyzed material systems {rho} exhibits lateral ordering as well as a pronounced layering in the vicinity of the interface. In the case of the a-Si/c-Si sample the mean orientation of bonds was 70.5 , as is in the case of the undistorted diamond lattice, while for the a-Ge/c-Si sample 65 resulted. The standard deviation for the distribution of the deviations from the mean bond angle yields for the a-Ge/c-Si sample in the first atomic layer a value of 11.3 and for the a-Si/c-Si sample 1.9 . These results suggest the conclusion, that the differences in these values are to be interpreted as the reaction of the amorphous material to the volume misfit. Although for both material systems 1.4 nm was calculated for the width

  8. Mechanisms of formation of chemical bonding and defect formation at the a-SiO2/BaTiO3 interfaces

    International Nuclear Information System (INIS)

    The structure and mechanisms of bonding and defect formation at the interfaces between amorphous silica (a-SiO2) and BaTiO3(0 0 1) were investigated using ab initio molecular dynamics. It was found that the nature of interfacial bonds crucially depends on the BaTiO3 surface termination. In particular, the interface between silica and TiO2-terminated BaTiO3 (BTO) slab is characterised by strong covalent Ti–O–Si bonds, while the interface between silica and BaO-terminated BTO demonstrates ionic character of interfacial bonds and exhibits bond instability. In both cases, the dynamics of oxygen species at oxide interfaces is a driving force of the formation of interfacial bonds and defects. (paper)

  9. Fabrication of laminated ZrC-SiC composite by vacuum hot-pressing sintering

    Directory of Open Access Journals (Sweden)

    Yuanyuan Li

    2015-03-01

    Full Text Available Laminated ZrC-SiC ceramic was prepared through tape casting and hot pressing. The green tapes of ZrC and SiC were prepared at room temperature. In order to improve the density of composite, the binder of green tapes were removed at 550 °C for 1 h. The laminated structure and the cracks propagation path, which is not a straight line, are observed by optical metalloscope. The compact laminated ZrC-SiC composite sintered by vacuum hot-pressing at 1650 °C for 90 min under pressure of 20 MPa was researched by X-ray diffraction and scanning electron microscopy (SEM equipped with energy dispersive X-ray analysis. The results showed that interlayer bonding is tight, and no disordered phase has formed in the interlayers of ZrC or SiC, and the combination mode is physical mechanism.

  10. The Mechanical and Electrical Effects of MEMS Capacitive Pressure Sensor Based 3C-SiC for Extreme Temperature

    Directory of Open Access Journals (Sweden)

    N. Marsi

    2014-01-01

    Full Text Available This paper discusses the mechanical and electrical effects on 3C-SiC and Si thin film as a diaphragm for MEMS capacitive pressure sensor operating for extreme temperature which is 1000 K. This work compares the design of a diaphragm based MEMS capacitive pressure sensor employing 3C-SiC and Si thin films. A 3C-SiC diaphragm was bonded with a thickness of 380 μm Si substrate, and a cavity gap of 2.2 μm is formed between the wafers. The MEMS capacitive pressure sensor designs were simulated using COMSOL ver 4.3 software to compare the diaphragm deflection, capacitive performance analysis, von Mises stress, and total electrical energy performance. Both materials are designed with the same layout dimensional with different thicknesses of the diaphragm which are 1.0 μm, 1.6 μm, and 2.2 μm. It is observed that the 3C-SiC thin film is far superior materials to Si thin film mechanically in withstanding higher applied pressures and temperatures. For 3C-SiC and Si, the maximum von Mises stress achieved is 148.32 MPa and 125.48 MPa corresponding to capacitance value which is 1.93 pF and 1.22 pF, respectively. In terms of electrical performance, the maximum output capacitance of 1.93 pF is obtained with less total energy of 5.87 × 10−13 J, thus having a 50% saving as compared to Si.

  11. Formation of H3^+ in methanol : an intramolecular bond rearrangement study

    Science.gov (United States)

    de, Sankar; Rajput, Jyoti; Roy, A.; Safvan, C. P.; Ghosh, P. N.

    2007-06-01

    We report here results of TOF multi-hit coincidence experiment [1] that provide evidence for intramolecular reactions involving proton coagulation in methanol [2] after interaction with 1.2 MeV Ar^8+ projectiles produced from the ECR ion source in the LEIBF laboratory of Inter-University Accelerator Centre, India. Quite remarkably, we have observed the formation of H3^+ due to movement of protons within the multiply charged parent molecular ion through two-body process (CH3OH^2+->H3^+ + COH^+) and such bond formation occurs before the Coulomb repulsion makes the fragment ions to fly apart. Analysis of the fragmentation pattern of CH3OH^2+ has been carried out using ab initio quantum chemical techniques. Structural calculations indicate that the formation of H3^+ is the preferred pathway in the overall fragmentation dynamics of the ground state of this alcohol. The field generated from highly charged ions induces the system to rearrange its structure following a minimum energy pathway and form hydrogen molecular ions. Repeating the experiment with CH3OD confirm our bond rearrangement phenomenon and establish that H3^+ formation occurs only within the methyl group of the alcohol. Ref: [1] S. De et. al. NIMB, 243, 435 (2006) [2] Sankar De et. al. PRL, 97, 213201 (2006)

  12. Understanding the effect of substitution on the formation of S. . .F chalcogen bond

    Indian Academy of Sciences (India)

    RAHUL SHUKLA; DEEPAK CHOPRA

    2016-10-01

    In this study, we have investigated the effect of substitution on the formation of S. . .F non-covalent interactions in XHS. . .FCH₃ complexes (X= −H, −F, −Cl, −OH, −OCH₃, −NH₂, −NHCH₃, −NO₂, −CN) at MP2/aug-cc-pVDZ level of theory. The formation of S. . .F chalcogen bonds was observed in all the cases, except for X = −H. The binding energy of the S. . .F non-covalent interactions is strongly dependent on the nature of the substituent groups. The energy decomposition analysis revealed that electrostatic and exchangeenergy component are the dominant contributors towards the stability of these interactions. The topological analysis established the presence of the S. . .F chalcogen bond due to the presence of a bond critical point exclusively between sulphur and fluorine atoms representing a closed-shell interaction. The natural bondorbital analysis shows that the stability of the interaction comes from a charge transfer from F(lp) to σ* (S-X) orbital transition.

  13. New textile structures and film-boiling densification for SiC/SiC components

    International Nuclear Information System (INIS)

    mandrel for pin braiding. As SiC/SiC materials possess a limited tolerance when it comes to the set deformation, a flexible ceramic porous bond, constituted of a ceramic textile structure, has been proposed [6] and characterized to improve the fuel pellet-clad interaction. Concerning the Hexagonal Tube, studies have been performed on the very particular film-boiling process (Figures 3 and 4). The aim was to reduce the important densification time and cost, due to the quite large dimensions and thickness of this component. Depending on the chemical precursors used, the main difficulty consisted in controlling either the matrix composition, which can contain excess carbon, or the microstructure, which can be less ordered and conductive than CVI deposits. A few investigations have also been initiated on SiC/SiC with low density and conductivity, to manufacture a thermal barrier for the Hot Gas Duct. Owing to the stringent specifications set for nuclear components, the development of SiC/SiC materials, and more particularly for cladding applications, is an ambitious target, both from technological and scientific standpoints. Complementary tests and characterizations are still necessary to prove that these materials are consistent with the targeted performance. All the knowledge and know-how developed during these studies should be useful to obtain technological solutions for tailored and reliable SiC/SiC components for high-temperature (nuclear) applications. (authors)

  14. Effect of stacking fault energy on nanostructure formation under accumulative roll bonding (ARB) process

    International Nuclear Information System (INIS)

    In this study, the effect of stacking fault energy on the formation of nanostructure in aluminum, copper, and brass fabricated via the accumulative roll bonding (ARB) process was investigated. Evolution of microstructure of the samples was investigated by transmission electron microscopy (TEM). Occurrence of the recrystallization (both continuous and discontinuous) in the copper and brass led to the formation of nano grains with mean sizes of 80, and 40 nm, respectively; while, the mean grain size of aluminum was 250 nm. Differences in microstructural evolution during processing of aluminum, copper, and brass was related to their stacking fault energies. In order to facilitate nanostructure formation in the commercial purity aluminum, the second phase particles (alumina) were added to aluminum matrix. In this case, the mean grain size of the aluminum changed down to 90 nm

  15. Cross-dehydrogenative coupling for the intermolecular C–O bond formation

    Directory of Open Access Journals (Sweden)

    Igor B. Krylov

    2015-01-01

    Full Text Available The present review summarizes primary publications on the cross-dehydrogenative C–O coupling, with special emphasis on the studies published after 2000. The starting compound, which donates a carbon atom for the formation of a new C–O bond, is called the CH-reagent or the C-reagent, and the compound, an oxygen atom of which is involved in the new bond, is called the OH-reagent or the O-reagent. Alcohols and carboxylic acids are most commonly used as O-reagents; hydroxylamine derivatives, hydroperoxides, and sulfonic acids are employed less often. The cross-dehydrogenative C–O coupling reactions are carried out using different C-reagents, such as compounds containing directing functional groups (amide, heteroaromatic, oxime, and so on and compounds with activated C–H bonds (aldehydes, alcohols, ketones, ethers, amines, amides, compounds containing the benzyl, allyl, or propargyl moiety. An analysis of the published data showed that the principles at the basis of a particular cross-dehydrogenative C–O coupling reaction are dictated mainly by the nature of the C-reagent. Hence, in the present review the data are classified according to the structures of C-reagents, and, in the second place, according to the type of oxidative systems. Besides the typical cross-dehydrogenative coupling reactions of CH- and OH-reagents, closely related C–H activation processes involving intermolecular C–O bond formation are discussed: acyloxylation reactions with ArI(O2CR2 reagents and generation of O-reagents in situ from C-reagents (methylarenes, aldehydes, etc..

  16. Joining of SiC ceramics and SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, B.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1995-08-01

    This project has successfully developed a practical and reliable method for fabricating SiC ceramic-ceramic joints. This joining method has the potential to facilitate the use of SiC-based ceramics in a variety of elevated temperature fossil energy applications. The technique is based on a reaction bonding approach that provides joint interlayers compatible with SiC, and excellent joint mechanical properties at temperatures exceeding 1000{degrees}C. Recent efforts have focused on transferring the joining technology to industry. Several industrial partners have been identified and collaborative research projects are in progress. Investigations are focusing on applying the joining method to sintered a-SiC and fiber-reinforced SiC/SiC composites for use in applications such as heat exchangers, radiant burners and gas turbine components.

  17. Joining of SiC ceramics and SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, B.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1996-08-01

    This project has successfully developed a practical and reliable method for fabricating SiC ceramic-ceramic joints. This joining method will permit the use of SiC-based ceramics in a variety of elevated temperature fossil energy applications. The technique is based on a reaction bonding approach that provides joint interlayers compatible with SiC, and excellent joint mechanical properties at temperatures exceeding 1000{degrees}C. Recent emphasis has been given to technology transfer activities, and several collaborative research efforts are in progress. Investigations are focusing on applying the joining method to sintered {alpha}-SiC and fiber-reinforced SiC/SiC composites for use in applications such as heat exchangers, radiant burners and gas turbine components.

  18. Thermodynamic Strategies for C-O Bond Formation and Cleavage via Tandem Catalysis.

    Science.gov (United States)

    Lohr, Tracy L; Li, Zhi; Marks, Tobin J

    2016-05-17

    To reduce global reliance on fossil fuels, new renewable sources of energy that can be used with the current infrastructure are required. Biomass represents a major source of renewable carbon based fuel; however, the high oxygen content (∼40%) limits its use as a conventional fuel. To utilize biomass as an energy source, not only with current infrastructure, but for maximum energy return, the oxygen content must be reduced. One method to achieve this is to develop selective catalytic methods to cleave C-O bonds commonly found in biomass (aliphatic and aromatic ethers and esters) for the eventual removal of oxygen in the form of volatile H2O or carboxylic acids. Once selective methods of C-O cleavage are understood and perfected, application to processing real biomass feedstocks such as lignin can be undertaken. This Laboratory previously reported that recyclable "green" lanthanide triflates are excellent catalysts for C-O bond-forming hydroalkoxylation reactions. Based on the virtues of microscopic reversibility, the same lanthanide triflate catalyst should catalyze the reverse C-O cleavage process, retrohydroalkoxylation, to yield an alcohol and an alkene. However, ether C-O bond-forming (retrohydroalkoxylation) to form an alcohol and alkene is endothermic. Guided by quantum chemical analysis, our strategy is to couple endothermic, in tandem, ether C-O bond cleavage with exothermic alkene hydrogenation, thereby leveraging the combined catalytic cycles thermodynamically to form an overall energetically favorable C-O cleavage reaction. This Account reviews recent developments on thermodynamically leveraged tandem catalysis for ether and more recently, ester C-O bond cleavage undertaken at Northwestern University. First, the fundamentals of lanthanide-catalyzed hydroelementation are reviewed, with particular focus on ether C-O bond formation (hydroalkoxylation). Next, the reverse C-O cleavage/retrohydroalkoxylation processes enabled by tandem catalysis are

  19. Thermodynamic Strategies for C-O Bond Formation and Cleavage via Tandem Catalysis.

    Science.gov (United States)

    Lohr, Tracy L; Li, Zhi; Marks, Tobin J

    2016-05-17

    To reduce global reliance on fossil fuels, new renewable sources of energy that can be used with the current infrastructure are required. Biomass represents a major source of renewable carbon based fuel; however, the high oxygen content (∼40%) limits its use as a conventional fuel. To utilize biomass as an energy source, not only with current infrastructure, but for maximum energy return, the oxygen content must be reduced. One method to achieve this is to develop selective catalytic methods to cleave C-O bonds commonly found in biomass (aliphatic and aromatic ethers and esters) for the eventual removal of oxygen in the form of volatile H2O or carboxylic acids. Once selective methods of C-O cleavage are understood and perfected, application to processing real biomass feedstocks such as lignin can be undertaken. This Laboratory previously reported that recyclable "green" lanthanide triflates are excellent catalysts for C-O bond-forming hydroalkoxylation reactions. Based on the virtues of microscopic reversibility, the same lanthanide triflate catalyst should catalyze the reverse C-O cleavage process, retrohydroalkoxylation, to yield an alcohol and an alkene. However, ether C-O bond-forming (retrohydroalkoxylation) to form an alcohol and alkene is endothermic. Guided by quantum chemical analysis, our strategy is to couple endothermic, in tandem, ether C-O bond cleavage with exothermic alkene hydrogenation, thereby leveraging the combined catalytic cycles thermodynamically to form an overall energetically favorable C-O cleavage reaction. This Account reviews recent developments on thermodynamically leveraged tandem catalysis for ether and more recently, ester C-O bond cleavage undertaken at Northwestern University. First, the fundamentals of lanthanide-catalyzed hydroelementation are reviewed, with particular focus on ether C-O bond formation (hydroalkoxylation). Next, the reverse C-O cleavage/retrohydroalkoxylation processes enabled by tandem catalysis are

  20. Levoglucosan formation from crystalline cellulose: importance of a hydrogen bonding network in the reaction.

    Science.gov (United States)

    Hosoya, Takashi; Sakaki, Shigeyoshi

    2013-12-01

    Levoglucosan (1,6-anhydro-β-D-glucopyranose) formation by the thermal degradation of native cellulose was investigated by MP4(SDQ)//DFT(B3LYP) and DFT(M06-2X)//DFT(B3LYP) level computations. The computational results of dimer models lead to the conclusion that the degradation occurs by a concerted mechanism similar to the degradation of methyl β-D-glucoside reported in our previous study. One-chain models of glucose hexamer, in which the interchain hydrogen bonds of real cellulose crystals are absent, do not exhibit the correct reaction behavior of levoglucosan formation; for instance, the activation enthalpy (Ea =≈38 kcal mol(-1) ) is considerably underestimated compared to the experimental value (48-60 kcal mol(-1) ). This problem is solved with the use of two-chain models that contain interchain hydrogen bonds. The theoretical study of this model clearly shows that the degradation of the internal glucosyl residue leads to the formation of a levoglucosan precursor at the chain end and levoglucosan is selectively formed from this levoglucosan end. The calculated Ea (56-62 kcal mol(-1) ) agrees well with the experimental value. The computational results of three-chain models indicate that this degradation occurs selectively on the crystalline surface. All these computational results provide a comprehensive understanding of several experimental facts, the mechanisms of which have not yet been elucidated.

  1. Improved C/SiC Ceramic Composites Made Using PIP

    Science.gov (United States)

    Easler, Timothy

    2007-01-01

    Improved carbon-fiber-reinforced SiC ceramic-matrix composite (C/SiC CMC) materials, suitable for fabrication of thick-section structural components, are producible by use of a combination of raw materials and processing conditions different from such combinations used in the prior art. In comparison with prior C/SiC CMC materials, these materials have more nearly uniform density, less porosity, and greater strength. The majority of raw-material/processing-condition combinations used in the prior art involve the use of chemical vapor infiltration (CVI) for densifying the matrix. In contrast, in synthesizing a material of the present type, one uses a combination of infiltration with, and pyrolysis of, a preceramic polymer [polymer infiltration followed by pyrolysis (PIP)]. PIP processing is performed in repeated, tailored cycles of infiltration followed by pyrolysis. Densification by PIP processing takes less time and costs less than does densification by CVI. When one of these improved materials was tested by exposure to a high-temperature, inert-gas environment that caused prior C/SiC CMCs to lose strength, this material did not lose strength. (Information on the temperature and exposure time was not available at the time of writing this article.) A material of the present improved type consists, more specifically, of (1) carbon fibers coated with an engineered fiber/matrix interface material and (2) a ceramic matrix, containing SiC, derived from a pre-ceramic polymer with ceramic powder additions. The enhancements of properties of these materials relative to those of prior C/SiC CMC materials are attributable largely to engineering of the fiber/ matrix interfacial material and the densification process. The synthesis of a material of this type includes processing at an elevated temperature to a low level of open porosity. The approach followed in this processing allows one to fabricate not only simple plates but also more complexly shaped parts. The carbon fiber

  2. Electron beam-physical vapor deposition of SiC/SiO 2 high emissivity thin film

    Science.gov (United States)

    Yi, Jian; He, XiaoDong; Sun, Yue; Li, Yao

    2007-02-01

    When heated by high-energy electron beam (EB), SiC can decompose into C and Si vapor. Subsequently, Si vapor reacts with metal oxide thin film on substrate surface and formats dense SiO 2 thin film at high substrate temperature. By means of the two reactions, SiC/SiO 2 composite thin film was prepared on the pre-oxidized 316 stainless steel (SS) substrate by electron beam-physical vapor deposition (EB-PVD) only using β-SiC target at 1000 °C. The thin film was examined by energy dispersive spectroscopy (EDS), grazing incidence X-ray asymmetry diffraction (GIAXD), scanning electron microscopy (SEM), atomic force microscopy (AFM), backscattered electron image (BSE), electron probe microanalysis (EPMA), X-ray photoelectron spectroscopy (XPS) and Fourier transformed infra-red (FT-IR) spectroscopy. The analysis results show that the thin film is mainly composed of imperfect nano-crystalline phases of 3C-SiC and SiO 2, especially, SiO 2 phase is nearly amorphous. Moreover, the smooth and dense thin film surface consists of nano-sized particles, and the interface between SiC/SiO 2 composite thin film and SS substrate is perfect. At last, the emissivity of SS substrate is improved by the SiC/SiO 2 composite thin film.

  3. A free-standing condensation enzyme catalyzing ester bond formation in C-1027 biosynthesis.

    Science.gov (United States)

    Lin, Shuangjun; Van Lanen, Steven G; Shen, Ben

    2009-03-17

    Nonribosomal peptide synthetases (NRPSs) catalyze the biosynthesis of many biologically active peptides and typically are modular, with each extension module minimally consisting of a condensation, an adenylation, and a peptidyl carrier protein domain responsible for incorporation of an amino acid into the growing peptide chain. C-1027 is a chromoprotein antitumor antibiotic whose enediyne chromophore consists of an enediyne core, a deoxy aminosugar, a benzoxazolinate, and a beta-amino acid moiety. Bioinformatics analysis suggested that the activation and incorporation of the beta-amino acid moiety into C-1027 follows an NRPS mechanism whereby biosynthetic intermediates are tethered to the peptidyl carrier protein SgcC2. Here, we report the biochemical characterization of SgcC5, an NRPS condensation enzyme that catalyzes ester bond formation between the SgcC2-tethered (S)-3-chloro-5-hydroxy-beta-tyrosine and (R)-1-phenyl-1,2-ethanediol, a mimic of the enediyne core. SgcC5 uses (S)-3-chloro-5-hydroxy-beta-tyrosyl-SgcC2 as the donor substrate and exhibits regiospecificity for the C-2 hydroxyl group of the enediyne core mimic as the acceptor substrate. Remarkably, SgcC5 is also capable of catalyzing amide bond formation, albeit with significantly reduced efficiency, between (S)-3-chloro-5-hydroxy-beta-tyrosyl-(S)-SgcC2 and (R)-2-amino-1-phenyl-1-ethanol, an alternative enediyne core mimic bearing an amine at its C-2 position. Thus, SgcC5 is capable of catalyzing both ester and amide bond formation, providing an evolutionary link between amide- and ester-forming condensation enzymes. PMID:19246381

  4. An erbium-based bifuctional heterogeneous catalyst: a cooperative route towards C-C bond formation.

    Science.gov (United States)

    Oliverio, Manuela; Costanzo, Paola; Macario, Anastasia; De Luca, Giuseppina; Nardi, Monica; Procopio, Antonio

    2014-07-15

    Heterogeneous bifuctional catalysts are multifunctional synthetic catalysts enabling efficient organic transformations by exploiting two opposite functionalities without mutual destruction. In this paper we report the first Er(III)-based metallorganic heterogeneous catalyst, synthesized by post-calcination MW-assisted grafting and modification of the natural aminoacid L-cysteine. The natural acid-base distance between sites was maintained to assure the cooperation. The applicability of this new bifunctional heterogeneous catalyst to C-C bond formation and the supposed mechanisms of action are discussed as well.

  5. An Erbium-Based Bifuctional Heterogeneous Catalyst: A Cooperative Route Towards C-C Bond Formation

    Directory of Open Access Journals (Sweden)

    Manuela Oliverio

    2014-07-01

    Full Text Available Heterogeneous bifuctional catalysts are multifunctional synthetic catalysts enabling efficient organic transformations by exploiting two opposite functionalities without mutual destruction. In this paper we report the first Er(III-based metallorganic heterogeneous catalyst, synthesized by post-calcination MW-assisted grafting and modification of the natural aminoacid L-cysteine. The natural acid–base distance between sites was maintained to assure the cooperation. The applicability of this new bifunctional heterogeneous catalyst to C-C bond formation and the supposed mechanisms of action are discussed as well.

  6. Slow peptide bond formation by proline and other N-alkylamino acids in translation

    OpenAIRE

    Pavlov, Michael Y; Watts, Richard E.; Tan, Zhongping; Cornish, Virginia W; Ehrenberg, Måns; Forster, Anthony C.

    2008-01-01

    Proteins are made from 19 aa and, curiously, one N-alkylamino acid (“imino acid”), proline (Pro). Pro is thought to be incorporated by the translation apparatus at the same rate as the 19 aa, even though the alkyl group in Pro resides directly on the nitrogen nucleophile involved in peptide bond formation. Here, by combining quench-flow kinetics and charging of tRNAs with cognate and noncognate amino acids, we find that Pro incorporates in translation significantly more slowly than Phe or Ala...

  7. Metalloenzyme-Like Zeolites as Lewis Acid Catalysts for C-C Bond Formation.

    Science.gov (United States)

    Van de Vyver, Stijn; Román-Leshkov, Yuriy

    2015-10-19

    The use of metalloenzyme-like zeolites as Lewis acid catalysts for C-C bond formation reactions has received increasing attention over the past few years. In particular, the observation of direct aldol condensation reactions enabled by hydrophobic zeolites with isolated framework metal sites has encouraged the development of catalytic approaches for producing chemicals from biomass-derived compounds. The discovery of new Diels-Alder cycloaddition/dehydration routes and experimental and computational studies of Lewis acid catalyzed carbonyl-ene reactions have given a further boost to this rapidly evolving field. PMID:26465652

  8. A New Paradigm for Carbon-Carbon Bond Formation: Aerobic, Copper-Templated Cross-Coupling

    OpenAIRE

    Villalobos, Janette M.; Srogl, Jiri; Liebeskind, Lanny S.

    2007-01-01

    Thiol esters and boronic acids react to produce ketones under aerobic conditions in the presence of catalytic quantities of a CuI or CuII salt. The reaction occurs at reasonable rates between room temperature and 50 °C at neutral pH using thiol esters derived from bulky 2° amides of thiosalicylamides such as those based on N-tert-butyl-2-mercaptobenzamide. In this mechanistically unprecedented reaction system the carbon-carbon bond formation occurs through templating of the thiol ester and th...

  9. Photoluminescence Properties of Nanocrystalline 3C-SiC Films

    Institute of Scientific and Technical Information of China (English)

    YU Wei; LU Xue-qin; LU Wan-bing; HAN Li; FU Guang-sheng

    2006-01-01

    Nanocrystalline (nc) 3C-SiC films on the Si substrate were prepared by the helicon wave plasma enhanced chemical vapor deposition (HW-PECVD) technique. With the SiH4-CH4 gas flow ratio changing, the films exhibit different photoluminescence (PL) characteristics. Under the stoichiometric condition, the PL peak redshift from 470 nm to 515 nm is detected with the increase of excitation wavelength, which can be attributed to the quantum confinement effect radiation of 3C-SiC nanocrystals of different sizes. However, the appearance of an additional PL band at 436 nm in Si-rich film might be sourced back to the excess of Si defect centers in it. This is also the case for C-rich film for its PL band lying at 570 nm. The results above quoted indicate an important influence of gas flow ratio on the PL properties of the SiC films providing an effective guidance for analyzing the luminescence mechanism and exploring the high-efficiency light emission of the SiC films.

  10. Dissecting the role of disulfide bonds on the amyloid formation of insulin

    International Nuclear Information System (INIS)

    Highlights: ► We dissect how individual disulfide bond affects the amyloidogenicity of insulin. ► A controlled reduction system for insulin is established in this study. ► Disulfide breakage is associated with unfolding and increased amyloidogenicity. ► Breakage of A6-A11 is associated with significantly increased cytotoxicity. ► Analogs without A6-A11 have a higher potency to form high order toxic oligomers. -- Abstract: Disulfide bonds play a critical role in the stability and folding of proteins. Here, we used insulin as a model system, to investigate the role of its individual disulfide bond during the amyloid formation of insulin. Tris(2-carboxyethyl)phosphine (TCEP) was applied to reduce two of the three disulfide bonds in porcine insulin and the reduced disulfide bonds were then alkylated by iodoacetamide. Three disulfide bond-modified insulin analogs, INS-2 (lack of A6-A11), INS-3 (lack of A7-B7) and INS-6 (lack of both A6-A11 and A7-B7), were obtained. Far-UV circular dichroism (CD) spectroscopy results indicated that the secondary structure of INS-2 was the closest to insulin under neutral conditions, followed by INS-3 and INS-6, whereas in an acidic solution all analogs were essentially unfolded. To test how these modifications affect the amyloidogenicity of insulin, thioflavin-T (ThT) fluorescence and transmission electronic microscopy (TEM) were performed. Our results showed that all analogs were more prone to aggregation than insulin, with the order of aggregation rates being INS-6 > INS-3 > INS-2. Cross-linking of unmodified proteins (PICUP) assay results showed that analogs without A6-A11 (INS-2 and INS-6) have a higher potential for oligomerization than insulin and INS-3, which is accompanied with a higher cytotoxicity as the hemolytic assays of human erythrocytes suggested. The results indicated that breakage of A7-B7 induced more unfolding of the insulin structure and a higher amyloidogenicity than breakage of A6-A11, but breakage of A6

  11. Dissecting the role of disulfide bonds on the amyloid formation of insulin

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yang; Gong, Hao [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Sun, Yue [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Yan, Juan; Cheng, Biao; Zhang, Xin [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Huang, Jing [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Yu, Mengying; Guo, Yu [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Zheng, Ling, E-mail: lzheng217@hotmail.com [College of Life Sciences, Wuhan University, Wuhan 430072 (China); Huang, Kun, E-mail: kunhuang2008@hotmail.com [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Centre for Biomedicine Research, Wuhan Institutes of Biotechnology, Wuhan 430070 (China)

    2012-06-29

    Highlights: Black-Right-Pointing-Pointer We dissect how individual disulfide bond affects the amyloidogenicity of insulin. Black-Right-Pointing-Pointer A controlled reduction system for insulin is established in this study. Black-Right-Pointing-Pointer Disulfide breakage is associated with unfolding and increased amyloidogenicity. Black-Right-Pointing-Pointer Breakage of A6-A11 is associated with significantly increased cytotoxicity. Black-Right-Pointing-Pointer Analogs without A6-A11 have a higher potency to form high order toxic oligomers. -- Abstract: Disulfide bonds play a critical role in the stability and folding of proteins. Here, we used insulin as a model system, to investigate the role of its individual disulfide bond during the amyloid formation of insulin. Tris(2-carboxyethyl)phosphine (TCEP) was applied to reduce two of the three disulfide bonds in porcine insulin and the reduced disulfide bonds were then alkylated by iodoacetamide. Three disulfide bond-modified insulin analogs, INS-2 (lack of A6-A11), INS-3 (lack of A7-B7) and INS-6 (lack of both A6-A11 and A7-B7), were obtained. Far-UV circular dichroism (CD) spectroscopy results indicated that the secondary structure of INS-2 was the closest to insulin under neutral conditions, followed by INS-3 and INS-6, whereas in an acidic solution all analogs were essentially unfolded. To test how these modifications affect the amyloidogenicity of insulin, thioflavin-T (ThT) fluorescence and transmission electronic microscopy (TEM) were performed. Our results showed that all analogs were more prone to aggregation than insulin, with the order of aggregation rates being INS-6 > INS-3 > INS-2. Cross-linking of unmodified proteins (PICUP) assay results showed that analogs without A6-A11 (INS-2 and INS-6) have a higher potential for oligomerization than insulin and INS-3, which is accompanied with a higher cytotoxicity as the hemolytic assays of human erythrocytes suggested. The results indicated that breakage of A7

  12. Bimetallic bonding and mixed oxide formation in the Ga-Pd-CeO2 system

    Science.gov (United States)

    Skála, Tomáš; Tsud, Nataliya; Prince, Kevin C.; Matolín, Vladimír

    2011-08-01

    The interaction of gallium and palladium with 2 nm CeO2(111) layers grown on Cu(111) was studied by core level photoelectron spectroscopy and resonant valence band spectroscopy. Palladium alone interacted weakly with ceria layers. Gallium deposited on cerium dioxide formed a mixed Ga2O3-Ce2O3 oxide of 1:1 stoichiometry (cerium gallate CeGaO3), with both metals in the M3+ oxidation state. Increasing Ga coverages led to the formation of lower oxidation states, i.e., Ga1+ in Ga2O oxide and metallic Ga0. Palladium deposited onto this complex system interacted with gallium leading to a breakage of Ga-ceria bonds, a decrease of the oxidation state of gallium, and formation of a Ga-Pd intermetallic alloy in which all components (CeO2, CeGaO3, Ga2O, Ga-Pd, and Pd) are in equilibrium.

  13. Accelerated C-N Bond Formation in Dropcast Thin Films on Ambient Surfaces

    Science.gov (United States)

    Badu-Tawiah, Abraham K.; Campbell, Dahlia I.; Cooks, R. Graham

    2012-09-01

    The aza-Michael addition and the Mannich condensation occur in thin films deposited on ambient surfaces. The reagents for both C-N bond formation reactions were transferred onto the surface by drop-casting using a micropipette. The surface reactions were found to be much more efficient than the corresponding bulk solution-phase reactions performed on the same scale in the same acetonitrile solvent. The increase in rate of product formation in the thin film is attributed to solvent evaporation in the open air which results in reagent concentration and produces rate acceleration similar to that seen in evaporating droplets in desorption electrospray ionization. This thin film procedure has potential for the rapid synthesis of reaction products on a small scale, as well as allowing rapid derivatization of analytes to produce forms that are easily ionized by electrospray ionization. Analysis of the derivatized sample directly from the reaction surface through the use of desorption electrospray ionization is also demonstrated.

  14. Formation of III–V-on-insulator structures on Si by direct wafer bonding

    International Nuclear Information System (INIS)

    We have studied the formation of III–V-compound-semiconductors-on-insulator (III–V-OI) structures with thin buried oxide (BOX) layers on Si wafers by using developed direct wafer bonding (DWB). In order to realize III–V-OI MOSFETs with ultrathin body and extremely thin body (ETB) InGaAs-OI channel layers and ultrathin BOX layers, we have developed an electron-cyclotron resonance (ECR) O2 plasma-assisted DWB process with ECR sputtered SiO2 BOX layers and a DWB process based on atomic-layer-deposition Al2O3 (ALD-Al2O3) BOX layers. It is essential to suppress micro-void generation during wafer bonding process to achieve excellent wafer bonding. We have found that major causes of micro-void generation in DWB processes with ECR-SiO2 and ALD-Al2O3 BOX layers are desorption of Ar and H2O gas, respectively. In order to suppress micro-void generation in the ECR-SiO2 BOX layers, it is effective to introduce the outgas process before bonding wafers. On the other hand, it is a possible solution for suppressing micro-void generation in the ALD-Al2O3 BOX layers to increase the deposition temperature of the ALD-Al2O3 BOX layers. It is also another possible solution to deposit ALD-Al2O3 BOX layers on thermally oxidized SiO2 layers, which can absorb the desorption gas from ALD-Al2O3 BOX layers. (invited paper)

  15. Acetic Acid Can Catalyze Succinimide Formation from Aspartic Acid Residues by a Concerted Bond Reorganization Mechanism: A Computational Study

    Directory of Open Access Journals (Sweden)

    Ohgi Takahashi

    2015-01-01

    Full Text Available Succinimide formation from aspartic acid (Asp residues is a concern in the formulation of protein drugs. Based on density functional theory calculations using Ace-Asp-Nme (Ace = acetyl, Nme = NHMe as a model compound, we propose the possibility that acetic acid (AA, which is often used in protein drug formulation for mildly acidic buffer solutions, catalyzes the succinimide formation from Asp residues by acting as a proton-transfer mediator. The proposed mechanism comprises two steps: cyclization (intramolecular addition to form a gem-diol tetrahedral intermediate and dehydration of the intermediate. Both steps are catalyzed by an AA molecule, and the first step was predicted to be rate-determining. The cyclization results from a bond formation between the amide nitrogen on the C-terminal side and the side-chain carboxyl carbon, which is part of an extensive bond reorganization (formation and breaking of single bonds and the interchange of single and double bonds occurring concertedly in a cyclic structure formed by the amide NH bond, the AA molecule and the side-chain C=O group and involving a double proton transfer. The second step also involves an AA-mediated bond reorganization. Carboxylic acids other than AA are also expected to catalyze the succinimide formation by a similar mechanism.

  16. In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

    Institute of Scientific and Technical Information of China (English)

    Marije A Jongsma; Henny C van der Mei; Jelly Atema-Smit; Henk J Busscher; Yijin Ren

    2015-01-01

    Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased pocket depth and bleeding on probing. This study compares in vivo biofilm formation on single-strand and multi-strand retention wires with different oral health-care regimens. Two-centimetre wires were placed in brackets that were bonded to the buccal side of the first molars and second premolars in the upper arches of 22 volunteers. Volunteers used a selected toothpaste with or without the additional use of a mouthrinse containing essential oils. Brushing was performed manually. Regimens were maintained for 1 week, after which the wires were removed and the oral biofilm was collected to quantify the number of organisms and their viability, determine the microbial composition and visualize the bacteria by electron microscopy. A 6-week washout period was employed between regimens. Biofilm formation was reduced on single-strand wires compared with multi-strand wires;bacteria were observed to adhere between the strands. The use of antibacterial toothpastes marginally reduced the amount of biofilm on both wire types, but significantly reduced the viability of the biofilm organisms. Additional use of the mouthrinse did not result in significant changes in biofilm amount or viability. However, major shifts in biofilm composition were induced by combining a stannous fluoride-or triclosan-containing toothpaste with the mouthrinse. These shifts can be tentatively attributed to small changes in bacterial cell surface hydrophobicity after the adsorption of the toothpaste components, which stimulate bacterial adhesion to the hydrophobic oil, as illustrated for a Streptococcus mutans strain.

  17. Control of Reactivity and Regioselectivity for On-Surface Dehydrogenative Aryl-Aryl Bond Formation.

    Science.gov (United States)

    Kocić, Nemanja; Liu, Xunshan; Chen, Songjie; Decurtins, Silvio; Krejčí, Ondřej; Jelínek, Pavel; Repp, Jascha; Liu, Shi-Xia

    2016-05-01

    Regioselectivity is of fundamental importance in chemical synthesis. Although many concepts for site-selective reactions are well established for solution chemistry, it is not a priori clear whether they can easily be transferred to reactions taking place on a metal surface. A metal will fix the chemical potential of the electrons and perturb the electronic states of the reactants because of hybridization. Additionally, techniques to characterize chemical reactions in solution are generally not applicable to on-surface reactions. Only recent developments in resolving chemical structures by atomic force microscopy (AFM) and scanning tunneling microscopy (STM) paved the way for identifying individual reaction products on surfaces. Here we exploit a combined STM/AFM technique to demonstrate the on-surface formation of complex molecular architectures built up from a heteroaromatic precursor, the tetracyclic pyrazino[2,3-f][4,7]phenanthroline (pap) molecule. Selective intermolecular aryl-aryl coupling via dehydrogenative C-H activation occurs on Au(111) upon thermal annealing under ultrahigh vacuum (UHV) conditions. A full atomistic description of the different reaction products based on an unambiguous discrimination between pyrazine and pyridine moieties is presented. Our work not only elucidates that ortho-hydrogen atoms of the pyrazine rings are preferentially activated over their pyridine equivalents, but also sheds new light onto the participation of substrate atoms in metal-organic coordination bonding during covalent C-C bond formation. PMID:27059121

  18. On the formation of equilibrium gels via a macroscopic bond limitation

    Science.gov (United States)

    Lindquist, B. A.; Jadrich, R. B.; Milliron, D. J.; Truskett, T. M.

    2016-08-01

    Restricting the number of attractive physical "bonds" that can form between particles in a fluid suppresses the usual demixing phase transition to very low particle concentrations, allowing for the formation of open, percolated, and homogeneous states, aptly called equilibrium or "empty" gels. Most demonstrations of this concept have directly limited the microscopic particle valence via anisotropic (patchy) attractions; however, an alternative macroscopic valence limitation would be desirable for greater experimental tunability and responsiveness. One possibility, explored in this paper, is to employ primary particles with attractions mediated via a secondary species of linking particles. In such a system, the linker-to-primary particle ratio serves as a macroscopic control parameter for the average microscopic valence. We show that the phase behavior of such a system predicted by Wertheim's first order perturbation theory is consistent with equilibrium gel formation: the primary particle concentrations corresponding to the two-phase demixing transition are significantly suppressed at both low and high linker-to-primary particle ratios. Extensive molecular dynamics simulations validate these theoretical predictions but also reveal the presence of loops of bonded particles, which are neglected in the theory. Such loops cause densification and inhibit percolation, and hence the range of viable empty gel state conditions is somewhat reduced relative to the Wertheim theory predictions.

  19. Allylhydridopolycarbosilane (AHPCS) as matrix resin for C/SiC ceramic matrix composites

    Energy Technology Data Exchange (ETDEWEB)

    Sreeja, R. [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India); Swaminathan, B., E-mail: swami1423@gmail.co [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India); Painuly, Anil; Sebastian, T.V.; Packirisamy, S. [Ceramic Matrix Products Division, Propellants and Special Chemicals Group, PCM Entity, Vikram Sarabhai Space Center, Thiruvananthapuram 695022 (India)

    2010-04-15

    In present study, partially allyl-substituted hydridopolycarbosilane (5 mol% allyl) [AHPCS] has been characterized by spectral techniques and thermal analysis. The DSC studies show that, the polymer is self-cross-linking at lower temperatures without any incorporation of cross-linking agents. The spectral and thermal characterizations carried out at different processing stages indicate the possibility of extensive structural rearrangement accompanied by the loss of hydrogen and other reactions of C and Si containing species resulting in the conversion of the branched chain segment into a 3D SiC network structure. AHPCS gave ceramic residue of 72% and 70% at 900 and 1500 deg. C respectively in argon atmosphere. XRD pattern of 1500 deg. C heat-treated AHPCS, indicates the formation of silicon carbide with the particle size of 3-4 nm. AHPCS was used as matrix resin for the preparation of C/SiC composite without any interfacial coating over the T-300 carbon fabric reinforcement. Flexural strength value of 74-86 MPa for C/SiC specimen with density of 1.7 g/cm{sup 3} was obtained after four infiltration and pyrolysis cycles.

  20. Comparison of Fatigue Life Between C/SiC and SiC/SiC Ceramic-Matrix Composites at Room and Elevated Temperatures

    Science.gov (United States)

    Longbiao, Li

    2016-10-01

    In this paper, the comparison of fatigue life between C/SiC and SiC/SiC ceramic-matrix composites (CMCs) at room and elevated temperatures has been investigated. An effective coefficient of the fiber volume fraction along the loading direction (ECFL) was introduced to describe the fiber architecture of preforms. Under cyclic fatigue loading, the fibers broken fraction was determined by combining the interface wear model and fibers statistical failure model at room temperature, and interface/fibers oxidation model, interface wear model and fibers statistical failure model at elevated temperatures in the oxidative environments. When the broken fibers fraction approaches to the critical value, the composites fatigue fracture. The fatigue life S-N curves and fatigue limits of cross-ply, 2D and 3D C/SiC and SiC/SiC composites at room temperature, 550 °C in air, 750 °C in dry and humid condition, 800 °C in air, 1000 °C in argon and air, 1100 °C, 1300 °C and 1500 °C in vacuum, have been predicted. At room temperature, the fatigue limit of 2D C/SiC composite with ECFL of 20 % lies between 0.78 and 0.8 tensile strength; and the fatigue limit of 2D SiC/SiC composite with ECFL of 20 % lies between 0.75 and 0.85 tensile strength. The fatigue limit of 2D C/SiC composite increases to 0.83 tensile strength with ECFL increasing from 20 to 22.5 %, and the fatigue limit of 3D C/SiC composite is 0.85 tensile strength with ECFL of 37 %. The fatigue performance of 2D SiC/SiC composite is better than that of 2D C/SiC composite at elevated temperatures in oxidative environment.

  1. Stress and stress monitoring in SiC-Si heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Pezoldt, Joerg; Niebelschuetz, Florentina; Cimalla, Volker; Stauden, Thomas [FG Nanotechnology, Institute of Micro- and Nanotechnologies, TU Ilmenau, Postfach 100565, 98684 Ilmenau (Germany); Nader, Richard; Masri, Pierre [Groupe d' Etudes des Semiconducteurs, CNRS cc074, UMR 5650, Universite Montpellier 2, Place E. Bataillon, 34095 Montpellier Cedex 5 (France); Zgheib, Charbel [Department of Electrical, Computer Communication Engineering, Notre Dame University, 5725 Deir El Kamar (Lebanon)

    2008-04-15

    Infrared ellipsometry is a valuable tool to investigate the average stress and the stress distribution in thin silicon carbide layers grown on silicon as well as to monitor the changes in the stress state during device processing. It was obtained that low temperature carbonization in combination with low temperature epitaxial growth led to a compressive stress component in the SiC-Si interface region, whereas the average stress state is tensile. Ge incorporation in the interface lowered the tensile residual stress component. Metallization of SiC increases the tensile stress in the SiC on Si. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: Recent Advances and Future Directions

    Science.gov (United States)

    Zhu, Dongming

    2016-01-01

    This presentation briefly reviews the SiC/SiC major environmental and environment-fatigue degradations encountered in simulated turbine combustion environments, and thus NASA environmental barrier coating system evolution for protecting the SiC/SiC Ceramic Matrix Composites for meeting the engine performance requirements. The presentation will review several generations of NASA EBC materials systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. This paper will also focus on the performance requirements and design considerations of environmental barrier coatings for next generation turbine engine applications. The current development emphasis is placed on advanced NASA candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. The efforts have been also directed to developing prime-reliant, self-healing 2700F EBC bond coat; and high stability, lower thermal conductivity, and durable EBC top coats. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance will be described. The research and development opportunities for turbine engine environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling will be briefly discussed.

  3. Electron paramagnetic resonance study on n-type electron-irradiated 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Carlsson, P; Rabia, K; Son, N T; Janzen, E [Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden); Ohshima, T; Morishita, N; Itoh, H [Japan Atomic Energy Research Institute, Takasaki 370-1292 (Japan); Isoya, J [University of Tsukuba, Tsukuba 305-8550 (Japan)], E-mail: paca@ifm.liu.se

    2008-03-15

    Electron Paramagnetic Resonance (EPR) was used to study defects in n-type 3C-SiC films irradiated by 3-MeV electrons at room temperature with a dose of 2x10{sup 18} cm{sup -2}. After electron irradiation, two new EPR spectra with an effective spin S = 1, labeled L5 and L6, were observed. The L5 center has C{sub 3v} symmetry with g = 2.004 and a fine-structure parameter D = 436.5x10{sup -4} cm{sup -1}. The L5 spectrum was only detected under light illumination and it could not be detected after annealing at {approx}550{sup 0}C. The principal z-axis of the D tensor is parallel to the <111>-directions, indicating the location of spins along the Si-C bonds. Judging from the symmetry and the fact that the signal was detected under illumination in n-type material, the L5 center may be related to the divacancy in the neutral charge state. The L6 center has a C{sub 2v}-symmetry with an isotropic g-value of g = 2.003 and the fine structure parameters D = 547.7x10{sup -4} cm{sup -1} and E = 56.2x10{sup -4} cm{sup -1}. The L6 center disappeared after annealing at a rather low temperature ({approx}200 deg. C), which is substantially lower than the known annealing temperatures for vacancy-related defects in 3C-SiC. This highly mobile defect may be related to carbon interstitials.

  4. Control of stability of polypeptide multilayer nanofilms by quantitative control of disulfide bond formation

    International Nuclear Information System (INIS)

    The crosslinking of polymers in a polymeric material will alter the mechanical properties of the material. Control over the mechanical properties of polyelectrolyte multilayer films (PEMs) could be useful for applications of the technology in medicine and other areas. Disulfide bonds are 'natural' polypeptide crosslinks found widely in wild-type proteins. Here, we have designed and synthesized three pairs of oppositely charged 32mer polypeptide to have 0, 4, or 8 cysteine (Cys) residues per molecule, and we have characterized physical properties of the peptides in a PEM context. The average linear density of free thiol in the designed peptides was 0, 0.125, or 0.25 per amino acid residue. The peptides were used to make 10-bilayer PEMs by electrostatic layer-by-layer self-assembly (LBL). Cys was included in the peptides to study specific effects of disulfide bond formation on PEM properties. Features of film assembly have been found to depend on the amino acid sequence, as in protein folding. Following polypeptide self-assembly into multilayer films, Cys residues were disulfide-crosslinked under mild oxidizing conditions. The stability of the crosslinked films at acidic pH has been found to depend on the number of Cys residues per peptide for a given crosslinking procedure. Crosslinked and non-crosslinked films have been analysed by ultraviolet spectroscopy (UVS), ellipsometry, and atomic force microscopy (AFM) to characterize film assembly, surface morphology, and disassembly. A selective etching model of the disassembly process at acidic pH is proposed on the basis of the experimental data. In this model, regions of film in which the disulfide bond density is low are etched at a higher rate than regions where the density is high

  5. Control of stability of polypeptide multilayer nanofilms by quantitative control of disulfide bond formation

    Science.gov (United States)

    Zhong, Yang; Li, Bingyun; Haynie, Donald T.

    2006-12-01

    The crosslinking of polymers in a polymeric material will alter the mechanical properties of the material. Control over the mechanical properties of polyelectrolyte multilayer films (PEMs) could be useful for applications of the technology in medicine and other areas. Disulfide bonds are 'natural' polypeptide crosslinks found widely in wild-type proteins. Here, we have designed and synthesized three pairs of oppositely charged 32mer polypeptide to have 0, 4, or 8 cysteine (Cys) residues per molecule, and we have characterized physical properties of the peptides in a PEM context. The average linear density of free thiol in the designed peptides was 0, 0.125, or 0.25 per amino acid residue. The peptides were used to make 10-bilayer PEMs by electrostatic layer-by-layer self-assembly (LBL). Cys was included in the peptides to study specific effects of disulfide bond formation on PEM properties. Features of film assembly have been found to depend on the amino acid sequence, as in protein folding. Following polypeptide self-assembly into multilayer films, Cys residues were disulfide-crosslinked under mild oxidizing conditions. The stability of the crosslinked films at acidic pH has been found to depend on the number of Cys residues per peptide for a given crosslinking procedure. Crosslinked and non-crosslinked films have been analysed by ultraviolet spectroscopy (UVS), ellipsometry, and atomic force microscopy (AFM) to characterize film assembly, surface morphology, and disassembly. A selective etching model of the disassembly process at acidic pH is proposed on the basis of the experimental data. In this model, regions of film in which the disulfide bond density is low are etched at a higher rate than regions where the density is high.

  6. CVD growth and properties of boron phosphide on 3C-SiC

    Science.gov (United States)

    Padavala, Balabalaji; Frye, C. D.; Wang, Xuejing; Raghothamachar, Balaji; Edgar, J. H.

    2016-09-01

    Improving the crystalline quality of boron phosphide (BP) is essential for realizing its full potential in semiconductor device applications. In this study, 3C-SiC was tested as a substrate for BP epitaxy. BP films were grown on 3C-SiC(100)/Si, 3C-SiC(111)/Si, and 3C-SiC(111)/4H-SiC(0001) substrates in a horizontal chemical vapor deposition (CVD) system. Films were produced with good crystalline orientation and morphological features in the temperature range of 1000-1200 °C using a PH3+B2H6+H2 mixture. Rotational twinning was absent in the BP due to the crystal symmetry-matching with 3C-SiC. Confocal 3D Raman imaging of BP films revealed primarily uniform peak shift and peak widths across the scanned area, except at defects on the surface. Synchrotron white beam X-ray topography showed the epitaxial relationship between BP and 3C-SiC was (100) BP||(100) 3C-SiC and (111) BP||(111) 3C-SiC. Scanning electron microscopy, Raman spectroscopy and X-ray diffraction analysis indicated residual tensile strain in the films and improved crystalline quality at temperatures below 1200 °C. These results indicated that BP properties could be further enhanced by employing high quality bulk 3C-SiC or 3C-SiC epilayers on 4H-SiC substrates.

  7. Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes.

    Science.gov (United States)

    Ponec, Robert; Cooper, David L

    2007-01-01

    We demonstrate that domain-average Fermi hole (DAFH) analysis, which has previously been used at the Hartree-Fock level, remains useful after the proper introduction of electron correlation. We perform a systematic investigation of the variation of the picture of bonding with increasing bond length in simple diatomic molecules such as N2 and LiH. Alongside values of a shared-electron distribution index (SEDI), this analysis provides further insight into the geometry dependence of the extent of electron sharing in polar and non-polar systems. We also use DAFH analysis, with correlated wave functions, to evaluate the (potential) multicentre bonding in the electron-deficient and electron-rich molecules CH2Li2 and CH2N2, respectively.

  8. A Rough Energy Landscape to Describe Surface-Linked Antibody and Antigen Bond Formation

    Science.gov (United States)

    Limozin, Laurent; Bongrand, Pierre; Robert, Philippe

    2016-01-01

    Antibodies and B cell receptors often bind their antigen at cell-cell interface while both molecular species are surface-bound, which impacts bond kinetics and function. Despite the description of complex energy landscapes for dissociation kinetics which may also result in significantly different association kinetics, surface-bound molecule (2D) association kinetics usually remain described by an on-rate due to crossing of a single free energy barrier, and few experimental works have measured association kinetics under conditions implying force and two-dimensional relative ligand-receptor motion. We use a new laminar flow chamber to measure 2D bond formation with systematic variation of the distribution of encounter durations between antigen and antibody, in a range from 0.1 to 10 ms. Under physiologically relevant forces, 2D association is 100-fold slower than 3D association as studied by surface plasmon resonance assays. Supported by brownian dynamics simulations, our results show that a minimal encounter duration is required for 2D association; an energy landscape featuring a rough initial part might be a reasonable way of accounting for this. By systematically varying the temperature of our experiments, we evaluate roughness at 2kBT, in the range of previously proposed rough parts of landscapes models during dissociation. PMID:27731375

  9. Disruption of reducing pathways is not essential for efficient disulfide bond formation in the cytoplasm of E. coli

    Directory of Open Access Journals (Sweden)

    Hatahet Feras

    2010-09-01

    Full Text Available Abstract Background The formation of native disulfide bonds is a complex and essential post-translational modification for many proteins. The large scale production of these proteins can be difficult and depends on targeting the protein to a compartment in which disulfide bond formation naturally occurs, usually the endoplasmic reticulum of eukaryotes or the periplasm of prokaryotes. It is currently thought to be impossible to produce large amounts of disulfide bond containing protein in the cytoplasm of wild-type bacteria such as E. coli due to the presence of multiple pathways for their reduction. Results Here we show that the introduction of Erv1p, a sulfhydryl oxidase and FAD-dependent catalyst of disulfide bond formation found in the inter membrane space of mitochondria, allows the efficient formation of native disulfide bonds in heterologously expressed proteins in the cytoplasm of E. coli even without the disruption of genes involved in disulfide bond reduction, for example trxB and/or gor. Indeed yields of active disulfide bonded proteins were higher in BL21 (DE3 pLysSRARE, an E. coli strain with the reducing pathways intact, than in the commercial Δgor ΔtrxB strain rosetta-gami upon co-expression of Erv1p. Conclusions Our results refute the current paradigm in the field that disruption of at least one of the reducing pathways is essential for the efficient production of disulfide bond containing proteins in the cytoplasm of E. coli and open up new possibilities for the use of E. coli as a microbial cell factory.

  10. Microstructure and Mechanical Properties of C/C-ZrC-SiC Composites Fabricated by Reactive Melt Infiltration with Zr, Si Mixed Powders

    Institute of Scientific and Technical Information of China (English)

    Xin Yang; Zhean Su; Qizhong Huang; Xiao Fang; Liyuan Chai

    2013-01-01

    To meet the increasing demand for advanced materials capable of operation over 2000 ℃ for future thermal protection systems application,C/C-ZrC-SiC composites were fabricated by reactive melt infiltration (RMI) with Zr,Si mixed powders as raw materials.The structural evolution and formation mechanism of the C/C-ZrC-SiC composites were discussed,and the mechanical property of the as-prepared material was investigated by compression test.The results showed that after the RMI process,a special structure with ZrC-SiC multi-coating as outer layer and ZrC-SiC-PyC ceramics as inner matrix was formed.ZrC and SiC rich areas were formed in the composites and on the coating surface due to the formation of Zr-Si intermetallic compounds in the RMI process.Mechanical tests showed that the average compression strength of the C/C-ZrC-SiC composites was 133.86 MPa,and the carbon fibers in the composites were not seriously damaged after the RMI process.

  11. Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

    Energy Technology Data Exchange (ETDEWEB)

    Roth, Justine P.

    2015-03-03

    Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.

  12. mc-Si:H/c-Si solar cell prepared by PECVD

    Institute of Scientific and Technical Information of China (English)

    XU Ying; LIAO Xianbo; DIAO Hongwei; Li Xudong; ZENG Xiangbo; LIU Xiaoping; WANG Minhua; WANG Wenjing

    2006-01-01

    Hetero-junction solar cells with an mc-Si:H window layer were achieved. The open voltage is increased while short current is decreased with increasing the mc-Si:H layer's thickness of emitter layer. The highest of V oc of 597 mV has obtained. When fixed the thickness of 30 nm, changing the N type from amorphous silicon layer to micro-crystalline layer, the efficiency of the hetero-junction solar cells is increased. Although the hydrogen etching before deposition enables the c-Si substrates to become rough by AFM images, it enhances the formation of epitaxial-like micro-crystalline silicon and better parameters of solar cell can be obtained by implying this process. The best result of efficiency is 13.86% with the V oc of 549.8 mV, J sc of 32.19 mA·cm-2 and the cell's area of 1cm2.

  13. Oxidation of C/SiC Composites at Reduced Oxygen Partial Pressures

    Science.gov (United States)

    Opila, Elizabeth J.; Serra, Jessica

    2009-01-01

    Carbon-fiber reinforced SiC (C/SiC) composites are proposed for leading edge applications of hypersonic vehicles due to the superior strength of carbon fibers at high temperatures (greater than 1500 C). However, the vulnerability of the carbon fibers in C/SiC to oxidation over a wide range of temperatures remains a problem. Previous oxidation studies of C/SiC have mainly been conducted in air or oxygen, so that the oxidation behavior of C/SiC at reduced oxygen partial pressures of the hypersonic flight regime are less well understood. In this study, both carbon fibers and C/SiC composites were oxidized over a wide range of temperatures and oxygen partial pressures to facilitate the understanding and modeling of C/SiC oxidation kinetics for hypersonic flight conditions.

  14. Affiliation, reward, and immune biomarkers coalesce to support social synchrony during periods of bond formation in humans.

    Science.gov (United States)

    Ulmer-Yaniv, Adi; Avitsur, Ronit; Kanat-Maymon, Yaniv; Schneiderman, Inna; Zagoory-Sharon, Orna; Feldman, Ruth

    2016-08-01

    Social bonds are critical for survival and adaptation and periods of bond formation involve reorganization of neurobiological systems as mediated by social behavior. Theoretical accounts and animal studies suggest similarity between parent-infant and pair bonding, a hypothesis not yet directly tested in humans. In this study, we recruited three groups of human adults (N=189); parents who had their firstborn child in the last 4-6months, new lovers who began a romantic relationship within the past 4months, and non-attached singles. We measured plasma oxytocin (OT), beta endorphin (β-End), and interlukin-6 (IL-6), biomarkers of the affiliation, reward, and stress-response systems, and micro-coded gaze and affect synchrony between parents and infants and among new lovers during social interaction. OT significantly increased during periods of parental and romantic bonding and was highest in new lovers. In contrast, IL-6 and β-End were highest in new parents and lowest in singles. Biomarkers became more tightly coupled during periods of bond formation and inter-correlation among hormones was highest during romantic bonding. Structural equation modeling indicated that the effects of IL-6 and β-End on behavioral synchrony were mediated by their impact on OT, highlighting the integrative role of the oxytocinergic system in supporting human social affiliation. Findings suggest that periods of bond formation are accompanied by increased activity, as well as tighter cross-talk among systems underpinning affiliation, reward, and stress management and that research on the multidimensional process of bonding may shed further light on the effects of attachment on health. PMID:26902915

  15. Oxidation Behavior of C/C-SiC Gradient Matrix Composites

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Oxidation behavior of C/C-SiC gradient matrix composites and C/C composites were compared in stationary air. The results show that oxidation threshold of C-SiC materials increases with the amount of SiC particles in the codeposition matrix. Oxidation rate of C/C-SiC gradient matrix composites is significantly lower than that of C/C material. The micro-oxidation process was observed by SEM.

  16. Estimation of Abraham solvation equation coefficients for hydrogen bond formation from Abraham solvation parameters for solute acidity and basicity.

    Science.gov (United States)

    van Noort, Paul

    2013-01-01

    Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. The coefficients in these equations, which are solvent (system) descriptors, are usually determined by fitting experimental data. To simplify the determination of these coefficients in Abraham solvation equations, this study derives equations, based on Abraham solvation parameters for hydrogen acidity and basicity of the solvents involved, to estimate the value of the coefficients for hydrogen bond formation. These equations were applied to calculate Abraham solvation parameters for hydrogen acidity and basicity for polyoxymethylene, polyacrylate, sodium dodecylsulfate, some ionic liquids, alkanoyl phosphatidyl cholines, and lipids for which fitted values for Abraham coefficients for hydrogen bond formation were available. PMID:22892357

  17. Modeling Creep-Induced Stress Relaxation at the Leading Edge of SiC/SiC Airfoils

    Science.gov (United States)

    Lang, Jerry; DiCarlo, James A.

    2007-01-01

    Anticipating the implementation of advanced SiC/SiC composites into internally cooled airfoil components within the turbine section of future aero-propulsion engines, the primary objective of this study was to develop physics-based analytical and finite-element modeling tools to predict the effects of composite creep and stress relaxation at the airfoil leading edges, which will generally experience large thermal gradients at high temperatures. A second objective was to examine how some advanced NASA-developed SiC/SiC systems coated with typical EBC materials would behave as leading edge materials in terms of long-term steady-state operating temperatures. Because of the complexities introduced by mechanical stresses inherent in internally cooled airfoils, a simple cylindrical thin-walled tube model subjected to thermal stresses only is employed for the leading edge, thereby obtaining a best-case scenario for the material behavior. In addition, the SiC/SiC composite materials are assumed to behave as isotropic materials with temperature-dependent viscoelastic creep behavior as measured in-plane on thin-walled panels. Key findings include: (1) without mechanical stresses and for typical airfoil geometries, as heat flux is increased through the leading edge, life-limiting tensile crack formation will occur first in the hoop direction on the inside wall of the leading edge; (2) thermal gradients through all current SiC/SiC systems should be kept below approx.300 F at high temperatures to avoid this cracking; (3) at temperatures near the maximum operating temperatures of advanced SiC/SiC systems, thermal stresses induced by the thermal gradients will beneficially relax with time due to creep; (4) although stress relaxation occurs, the maximum gradient should still not exceed 300oF because of residual tensile stress buildup on the airfoil outer wall during cool-down; and (5) without film cooling and mechanical stresses, the NASA-developed N26 SiC/SiC system with thru

  18. 3C-SiC/ZnS heterostructured nanospheres with high photocatalytic activity and enhancement mechanism

    International Nuclear Information System (INIS)

    3C-SiC/n-type ZnS heterostructured nanospheres synthesized hydrothermally deliver enhanced photocatalytic performance under visible light excitation. The heterostructured catalysts consisting of 3C-SiC and ZnS nanocrystals with a mean size being less than 5 nm exhibit extended light absorption to the visible range. The proper band structure of the 3C-SiC and ZnS nanocrystals and intrinsic electric field induced by the heterojunction promote separation of photoexcited electrons and holes in the ZnS and 3C-SiC nanocrystals resulting in the increased photocatalytic efficiency. The associated mechanism is studied and proposed

  19. Organic functionalization of 3C-SiC surfaces.

    Science.gov (United States)

    Schoell, Sebastian J; Sachsenhauser, Matthias; Oliveros, Alexandra; Howgate, John; Stutzmann, Martin; Brandt, Martin S; Frewin, Christopher L; Saddow, Stephen E; Sharp, Ian D

    2013-02-01

    We demonstrate the functionalization of n-type (100) and (111) 3C-SiC surfaces with organosilanes. Self-assembled monolayers (SAMs) of amino-propyldiethoxymethylsilane (APDEMS) and octadecyltrimethoxysilane (ODTMS) are formed via wet chemical processing techniques. Their structural, chemical, and electrical properties are investigated using static water contact angle measurements, atomic force microscopy, and X-ray photoelectron spectroscopy, revealing that the organic layers are smooth and densely packed. Furthermore, combined contact potential difference and surface photovoltage measurements demonstrate that the heterostructure functionality and surface potential can be tuned by utilizing different organosilane precursor molecules. Molecular dipoles are observed to significantly affect the work functions of the modified surfaces. Furthermore, the magnitude of the surface band bending is reduced following reaction of the hydroxylated surfaces with organosilanes, indicating that partial passivation of electrically active surface states is achieved. Micropatterning of organic layers is demonstrated by lithographically defined oxidation of organosilane-derived monolayers in an oxygen plasma, followed by visualization of resulting changes of the local wettability, as well as fluorescence microscopy following immobilization of fluorescently labeled BSA protein. PMID:23357505

  20. First-principle investigation on the thermodynamics of X2N2O (X = C, Si, Ge) compounds

    Science.gov (United States)

    Qing-Yun, Xiong; Qi-Xia, Shen; Rui-Zi, Li; Jiang, Shen; Fu-Yang, Tian

    2016-02-01

    The structures under different pressures, elastic properties, electronic structures and lattice vibrations of the X2N2O (X = C, Si, Ge) compounds are investigated by using the first-principle method. Based on the phonon density of state, the thermodynamic properties of the present compounds are studied under different pressures and at different temperatures. The structural parameters including the bond lengths and bond angles are in agreement with available experimental measurements and theoretical calculations. We employ the elastic theory to calculate the nine independent elastic constants (Ci j) and the derived elastic moduli (B, G, E, v). Results indicate that these X2N2O (X = C, Si, Ge) compounds are mechanically stable and show the brittle behaviors. The electronic properties of the present compounds are analyzed by using the band structure and density of states. The phonon dispersion calculations imply that the present compounds are dynamically stable. Based on the quasi-harmonic approximation, the calculations of the specific heat indicate that the temperature in a range of 0 K-1500 K and pressure in a range of 0 GPa-40 GPa have a large effect on the thermal quantities of Ge2N2O, compared with on those of the C2N2O and Si2N2O compounds. Project supported by the Fundamental Research Funds for the Central Universities, China (Grant No. FRF-TP-14-029Al).

  1. Bond formation effects on the metal-insulator transition in the half-filled kagome Hubbard model

    Science.gov (United States)

    Higa, Ryota; Asano, Kenichi

    2016-06-01

    We study the metal-insulator transition in the half-filled Hubbard model on a Kagome lattice using the variational cluster approximation. The strong coupling limit of the model corresponds to the S =1 /2 Kagome Heisenberg antiferromagnet, which is known to have a singlet ground state, although its detail is still debated. As the results of the cluster methods generally depend much on the choice of the unit cluster, we have chosen the clusters that are compatible with these singlet ground states in the strong coupling case found so far, which basically consist of even number of sites. It is found that the correlated electrons on the Kagome lattice have a strong tendency to form valence-bond structures, which are the resonation of electrons on a single bond or several bonds forming loops. The zero-temperature metal-insulator transition at some interaction strength is possibly driven by the formation of such short range valence bonds and shows a second order character, which is distinctive from the Brinkman-Rice scenario. The electrons on these valence bonds further localizes onto each site as the interaction increases, and the valence bonds of electrons finally turn into magnetic singlet bonds between localized S =1 /2 spins, which are consistent with the ground states of the Kagome antiferromagnet.

  2. Ablation behavior and mechanism of 3D Cf/ZrC-SiC composites in a plasma wind tunnel environment

    Directory of Open Access Journals (Sweden)

    Qinggang Li

    2015-12-01

    Full Text Available Three-dimensional needle-like Cf/ZrC-SiC composites were successfully fabricated by polymer infiltration and pyrolysis combined with ZrC precursor impregnation. The ablation properties of the composites were tested in a plasma wind tunnel environment at different temperatures and different times. The microstructure and morphology of the composites were examined after ablation by scanning electron microscopy, and their composition was confirmed by energy dispersive spectroscopy. The composites exhibited good configurational stability with a surface temperature of greater than 2273 K over a 300–1000 s period. The formation of ZrSiO4 and SiO2 melts on the surface of the 3D Cf/ZrC-SiC composites contributed significantly to improvement in their ablation properties. However, these composites exhibited serious ablation when the temperature was increased to 2800 K. The 3D Cf/ZrC-SiC composites obtained after ablation showed three different layers attributed to the temperature and pressure gradients: the ablation central region, the ablation transition region, and the unablation region.

  3. Symmetry breaking and structural distortions in charged XH4 (X=C, Si, Ge, Sn, and Pb) molecules

    International Nuclear Information System (INIS)

    We have investigated the ground-state structures of neutral and charged XH4(X=C, Si, Ge, Sn, and Pb) molecules using the first-principles electronic structure methods. The structure of positively charged molecules for X=Si, Ge, Sn, and Pb is characterized by a severe distortion from tetrahedral structure and an unusual H-H bond while the negatively charged molecules get distorted by pushing two hydrogen atoms away from each other. However, CH4+ and CH4- are exceptions to this behavior. We provide an insight into the symmetry breaking mechanism and unusual H-H bonding using simple electrostatic arguments based on the unequal charge distribution on H atoms. Those charged molecules having unequal charge distribution on H atoms get distorted due to different electrostatic forces between the atoms. We show that the directionality and occupation of the highest occupied molecular orbital play an important role in creating charge asymmetry in these molecules

  4. Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons.

    Science.gov (United States)

    Liu, Yue; Müller, Sebastian; Berger, Daniel; Jelic, Jelena; Reuter, Karsten; Tonigold, Markus; Sanchez-Sanchez, Maricruz; Lercher, Johannes A

    2016-05-01

    The elementary reactions leading to the formation of the first carbon-carbon bond during early stages of the zeolite-catalyzed methanol conversion into hydrocarbons were identified by combining kinetics, spectroscopy, and DFT calculations. The first intermediates containing a C-C bond are acetic acid and methyl acetate, which are formed through carbonylation of methanol or dimethyl ether even in presence of water. A series of acid-catalyzed reactions including acetylation, decarboxylation, aldol condensation, and cracking convert those intermediates into a mixture of surface bounded hydrocarbons, the hydrocarbon pool, as well as into the first olefin leaving the catalyst. This carbonylation based mechanism has an energy barrier of 80 kJ mol(-1) for the formation of the first C-C bond, in line with a broad range of experiments, and significantly lower than the barriers associated with earlier proposed mechanisms. PMID:27037603

  5. Assessment of covalent bond formation between coupling agents and wood by FTIR spectroscopy and pull strength tests

    DEFF Research Database (Denmark)

    Rasmussen, Jonas Stensgaard; Barsberg, Søren Talbro; Venås, Thomas Mark;

    2014-01-01

    In the focus was the question whether metal alkoxide coupling agents – titanium, silane, and zirconium – form covalent bonds to wood and how they improve coating adhesion. In a previous work, a downshift of the lignin infrared (IR) band ∼1600 cm-1 was shown to be consistent with the formation...

  6. Ions colliding with clusters of fullerenes-Decay pathways and covalent bond formations

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, F.; Zettergren, H.; Chen, T.; Gatchell, M.; Alexander, J. D.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H. [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Rousseau, P.; Chesnel, J. Y.; Capron, M.; Poully, J. C.; Mery, A.; Maclot, S.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Universite de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Universite de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Wang, Y.; Martin, F. [Departamento de Quimica, Modulo 13, Universidad Autonoma de Madrid, 28049 Madrid (Spain); Instituto Madrileno de Estudios Avanzados en Nanociencia (IMDEA-Nano), Cantoblanco, 28049 Madrid (Spain); Rangama, J.; Domaracka, A.; Vizcaino, V. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Universite de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); and others

    2013-07-21

    We report experimental results for the ionization and fragmentation of weakly bound van der Waals clusters of n C{sub 60} molecules following collisions with Ar{sup 2+}, He{sup 2+}, and Xe{sup 20+} at laboratory kinetic energies of 13 keV, 22.5 keV, and 300 keV, respectively. Intact singly charged C{sub 60} monomers are the dominant reaction products in all three cases and this is accounted for by means of Monte Carlo calculations of energy transfer processes and a simple Arrhenius-type [C{sub 60}]{sub n}{sup +}{yields}C{sub 60}{sup +}+(n-1)C{sub 60} evaporation model. Excitation energies in the range of only {approx}0.7 eV per C{sub 60} molecule in a [C{sub 60}]{sub 13}{sup +} cluster are sufficient for complete evaporation and such low energies correspond to ion trajectories far outside the clusters. Still we observe singly and even doubly charged intact cluster ions which stem from even more distant collisions. For penetrating collisions the clusters become multiply charged and some of the individual molecules may be promptly fragmented in direct knock-out processes leading to efficient formations of new covalent systems. For Ar{sup 2+} and He{sup 2+} collisions, we observe very efficient C{sub 119}{sup +} and C{sub 118}{sup +} formation and molecular dynamics simulations suggest that they are covalent dumb-bell systems due to bonding between C{sub 59}{sup +} or C{sub 58}{sup +} and C{sub 60} during cluster fragmentation. In the Ar{sup 2+} case, it is possible to form even smaller C{sub 120-2m}{sup +} molecules (m= 2-7), while no molecular fusion reactions are observed for the present Xe{sup 20+} collisions.

  7. A conserved cysteine residue is involved in disulfide bond formation between plant plasma membrane aquaporin monomers.

    Science.gov (United States)

    Bienert, Gerd P; Cavez, Damien; Besserer, Arnaud; Berny, Marie C; Gilis, Dimitri; Rooman, Marianne; Chaumont, François

    2012-07-01

    AQPs (aquaporins) are conserved in all kingdoms of life and facilitate the rapid diffusion of water and/or other small solutes across cell membranes. Among the different plant AQPs, PIPs (plasma membrane intrinsic proteins), which fall into two phylogenetic groups, PIP1 and PIP2, play key roles in plant water transport processes. PIPs form tetramers in which each monomer acts as a functional channel. The intermolecular interactions that stabilize PIP oligomer complexes and are responsible for the resistance of PIP dimers to denaturating conditions are not well characterized. In the present study, we identified a highly conserved cysteine residue in loop A of PIP1 and PIP2 proteins and demonstrated by mutagenesis that it is involved in the formation of a disulfide bond between two monomers. Although this cysteine seems not to be involved in regulation of trafficking to the plasma membrane, activity, substrate selectivity or oxidative gating of ZmPIP1s (Zm is Zea mays), ZmPIP2s and hetero-oligomers, it increases oligomer stability under denaturating conditions. In addition, when PIP1 and PIP2 are co-expressed, the loop A cysteine of ZmPIP1;2, but not that of ZmPIP2;5, is involved in the mercury sensitivity of the channels.

  8. Slow peptide bond formation by proline and other N-alkylamino acids in translation.

    Science.gov (United States)

    Pavlov, Michael Y; Watts, Richard E; Tan, Zhongping; Cornish, Virginia W; Ehrenberg, Måns; Forster, Anthony C

    2009-01-01

    Proteins are made from 19 aa and, curiously, one N-alkylamino acid ("imino acid"), proline (Pro). Pro is thought to be incorporated by the translation apparatus at the same rate as the 19 aa, even though the alkyl group in Pro resides directly on the nitrogen nucleophile involved in peptide bond formation. Here, by combining quench-flow kinetics and charging of tRNAs with cognate and noncognate amino acids, we find that Pro incorporates in translation significantly more slowly than Phe or Ala and that other N-alkylamino acids incorporate much more slowly. Our results show that the slowest step in incorporation of N-alkylamino acids is accommodation/peptidyl transfer after GTP hydrolysis on EF-Tu. The relative incorporation rates correlate with expectations from organic chemistry, suggesting that amino acid sterics and basicities affect translation rates at the peptidyl transfer step. Cognate isoacceptor tRNAs speed Pro incorporation to rates compatible with in vivo, although still 3-6 times slower than Phe incorporation from Phe-tRNA(Phe) depending on the Pro codon. Results suggest that Pro is the only N-alkylamino acid in the genetic code because it has a privileged cyclic structure that is more reactive than other N-alkylamino acids. Our data on the variation of the rate of incorporation of Pro from native Pro-tRNA(Pro) isoacceptors at 4 different Pro codons help explain codon bias not accounted for by the "tRNA abundance" hypothesis. PMID:19104062

  9. Effect of Heating on Hydrogen Retention in C-SiC Coatings

    Institute of Scientific and Technical Information of China (English)

    DU Jifu; REN Ding; ZHANG Ruiqian; LIU Ning; HUANG Ningkang

    2008-01-01

    C-SiC coatings were prepared on stainless steel with magnetron sputtering deposition followed by Argon ion bombardment. These samples were implanted by 5 keV hydrogen ion beam.SEM, SIMS and IR transmission were utilized to study the mechanism and the stability of hydrogen retention of C-SiC coatings. Comparison was made between the samples with and without removing Argon by heating then followed by H+ ion implantation. The results show that removal of argon by heating can improve the hydrogen retention of the C-SiC coatings. The thermal stability of hydrogen barrier for the C-SiC coatings was investigated, it is found that the property of hydrogen retention for the C-SiC coatings is still good after heating at 573 K, but it becomes worse after heating at 873 K, and it loses after heating at 1 173 K.

  10. Band edge discontinuities and carrier transport in c-Si/porous silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Md Nazrul [QAED-SRG, Space Applications Centre (ISRO), Ahmedabad - 380015 (India); Ram, Sanjay K [Department of Physics, Indian Institute of Technology, Kanpur - 208016 (India); Kumar, Satyendra [Department of Physics, Indian Institute of Technology, Kanpur - 208016 (India)

    2007-10-07

    We have prepared light emitting nanocrystallline porous silicon (PS) layers by electrochemical anodization of crystalline silicon (c-Si) wafer and characterized the c-Si/PS heterojunctions using temperature dependence of dark current-voltage (I-V) characteristics. The reverse bias I-V characteristics of c-Si/PS heterojunctions are found to behave like the Schottky junctions where carrier transport is mainly governed by the carrier generation-recombination in the depletion region formed on the PS side. Fermi level of c-Si gets pinned to the defect levels at the interface resulting in ln(I) {approx} V{sup 1/2}. The barrier height in the reverse bias condition is shown to be equal to the band offset at the conduction band edges. An energy band diagram for the c-Si/PS heterojunction is proposed.

  11. High thermal conductivity SiC/SiC composites for fusion applications -- 2

    Energy Technology Data Exchange (ETDEWEB)

    Kowbel, W.; Tsou, K.T.; Withers, J.C. [MER Corp., Tucson, AZ (United States); Youngblood, G.E. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion Structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23--24, 1997. An unirradiated SiC/SiC composite made with MER-developed CVR SiC fiber and a hybrid PIP/CVI SiC matrix exhibited room temperature transverse thermal conductivity of 45 W/mK. An unirradiated SiC/SiC composite made from C/C composite totally CVR-converted to a SiC/SiC composite exhibited transverse thermal conductivity values of 75 and 35 W/mK at 25 and 1000 C, respectively. Both types of SiC/SiC composites exhibited non-brittle failure in flexure testing.

  12. Packaging Technologies for 500C SiC Electronics and Sensors

    Science.gov (United States)

    Chen, Liang-Yu

    2013-01-01

    Various SiC electronics and sensors are currently under development for applications in 500C high temperature environments such as hot sections of aerospace engines and the surface of Venus. In order to conduct long-term test and eventually commercialize these SiC devices, compatible packaging technologies for the SiC electronics and sensors are required. This presentation reviews packaging technologies developed for 500C SiC electronics and sensors to address both component and subsystem level packaging needs for high temperature environments. The packaging system for high temperature SiC electronics includes ceramic chip-level packages, ceramic printed circuit boards (PCBs), and edge-connectors. High temperature durable die-attach and precious metal wire-bonding are used in the chip-level packaging process. A high temperature sensor package is specifically designed to address high temperature micro-fabricated capacitive pressure sensors for high differential pressure environments. This presentation describes development of these electronics and sensor packaging technologies, including some testing results of SiC electronics and capacitive pressure sensors using these packaging technologies.

  13. Maternal nicotine exposure leads to impaired disulfide bond formation and augmented endoplasmic reticulum stress in the rat placenta.

    Directory of Open Access Journals (Sweden)

    Michael K Wong

    Full Text Available Maternal nicotine exposure has been associated with many adverse fetal and placental outcomes. Although underlying mechanisms remain elusive, recent studies have identified that augmented endoplasmic reticulum (ER stress is linked to placental insufficiency. Moreover, ER function depends on proper disulfide bond formation--a partially oxygen-dependent process mediated by protein disulfide isomerase (PDI and ER oxidoreductases. Given that nicotine compromised placental development in the rat, and placental insufficiency has been associated with poor disulfide bond formation and ER stress, we hypothesized that maternal nicotine exposure leads to both placental ER stress and impaired disulfide bond formation. To test this hypothesis, female Wistar rats received daily subcutaneous injections of either saline (vehicle or nicotine bitartrate (1 mg/kg for 14 days prior to mating and during pregnancy. Placentas were harvested on embryonic day 15 for analysis. Protein and mRNA expression of markers involved in ER stress (e.g., phosphorylated eIF2α, Grp78, Atf4, and CHOP, disulfide bond formation (e.g., PDI, QSOX1, VKORC1, hypoxia (Hif1α, and amino acid deprivation (GCN2 were quantified via Western blot and/or Real-time PCR. Maternal nicotine exposure led to increased expression of Grp78, phosphorylated eIF2α, Atf4, and CHOP (p<0.05 in the rat placenta, demonstrating the presence of augmented ER stress. Decreased expression of PDI and QSOX1 (p<0.05 reveal an impaired disulfide bond formation pathway, which may underlie nicotine-induced ER stress. Finally, elevated expression of Hif1α and GCN2 (p<0.05 indicate hypoxia and amino acid deprivation in nicotine-exposed placentas, respectively, which may also cause impaired disulfide bond formation and augmented ER stress. This study is the first to link maternal nicotine exposure with both placental ER stress and disulfide bond impairment in vivo, providing novel insight into the mechanisms underlying

  14. Intermetallic Compound Formation Mechanisms for Cu-Sn Solid-Liquid Interdiffusion Bonding

    Science.gov (United States)

    Liu, H.; Wang, K.; Aasmundtveit, K. E.; Hoivik, N.

    2012-09-01

    Cu-Sn solid-liquid interdiffusion (SLID) bonding is an evolving technique for wafer-level packaging which features robust, fine pitch and high temperature tolerance. The mechanisms of Cu-Sn SLID bonding for wafer-level bonding and three-dimensional (3-D) packaging applications have been studied by analyzing the microstructure evolution of Cu-Sn intermetallic compounds (IMCs) at elevated temperature up to 400°C. The bonding time required to achieve a single IMC phase (Cu3Sn) in the final interconnects was estimated according to the parabolic growth law with consideration of defect-induced deviation. The effect of predominantly Cu metal grain size on the Cu-Sn interdiffusion rate is discussed. The temperature versus time profile (ramp rate) is critical to control the morphology of scallops in the IMC. A low temperature ramp rate before reaching the bonding temperature is believed to be favorable in a SLID wafer-level bonding process.

  15. Dentin bonding performance using Weibull statistics and evaluation of acid-base resistant zone formation of recently introduced adhesives.

    Science.gov (United States)

    Guan, Rui; Takagaki, Tomohiro; Matsui, Naoko; Sato, Takaaki; Burrow, Michael F; Palamara, Joseph; Nikaido, Toru; Tagami, Junji

    2016-07-30

    Dentin bonding durability of recently introduced dental adhesives: Clearfil SE Bond 2 (SE2), Optibond XTR (XTR), and Scotchbond Universal (SBU) was investigated using Weibull analysis as well as analysis of the micromorphological features of the acid-base resistant zone (ABRZ) created for the adhesives. The bonding procedures of SBU were divided into three subgroups: self-etch (SBS), phosphoric acid (PA) etching on moist (SBM) or dry dentin (SBD). All groups were thermocycled for 0, 5,000 and 10,000 cycles followed by microtensile bond strength testing. Acid-base challenge was undertaken before SEM and TEM observations of the adhesive interface. The etch-and-rinse method with SBU (SBM and SBD) created inferior interfaces on the dentin surface which resulted in reduced bond durability. ABRZ formation was detected with the self-etch adhesive systems; SE2, XTR and SBS. In the PA etching protocols of SBM and SBD, a thick hybrid layer but no ABRZ was detected, which might affect dentin bond durability. PMID:27335136

  16. Legionella pneumophila utilizes a Single Player Disulfide-Bond Oxidoreductase System to Manage Disulfide Bond Formation and Isomerization

    Science.gov (United States)

    Kpadeh, Zegbeh Z.; Day, Shandra R.; Mills, Brandy W.; Hoffman, Paul S.

    2015-01-01

    Legionella pneumophila uses a single homodimeric disulfide bond (DSB) oxidoreductase DsbA2 to catalyze extracytoplasmic protein folding and to correct DSB errors through protein-disulfide isomerase (PDI) activity. In Escherichia coli, these functions are separated to avoid futile cycling. In L. pneumophila, DsbA2 is maintained as a mixture of disulfides (S-S) and free thiols (SH), but when expressed in E. coli, only the SH form is observed. We provide evidence to suggest that structural differences in DsbB oxidases (LpDsbB1 and LpDsbB2) and DsbD reductases (LpDsbD1 and LpDsbD2) (compared to E. coli) permit bifunctional activities without creating a futile cycle. LpdsbB1 and LpdsbB2 partially complemented an EcdsbB mutant while neither LpdsbD1 nor LpdsbD2 complemented an EcdsbD mutant unless DsbA2 was also expressed. When the dsb genes of E. coli were replaced with those of L. pneumophila, motility was restored and DsbA2 was present as a mixture of redox forms. A dominant-negative approach to interfere with DsbA2 function in L. pneumophila determined that DSB oxidase activity was necessary for intracellular multiplication and assembly/function of the Dot/Icm Type IVb secretion system. Our studies show that a single-player system may escape the futile cycle trap by limiting transfer of reducing equivalents from LpDsbDs to DsbA2. PMID:25534767

  17. Molecular dynamics simulation of the formation of sp3 hybridized bonds in hydrogenated diamondlike carbon deposition processes.

    Science.gov (United States)

    Murakami, Yasuo; Horiguchi, Seishi; Hamaguchi, Satoshi

    2010-04-01

    The formation process of sp3 hybridized carbon networks (i.e., diamondlike structures) in hydrogenated diamondlike carbon (DLC) films has been studied with the use of molecular-dynamics simulations. The processes simulated in this study are injections of hydrocarbon (CH3 and CH) beams into amorphous carbon (a-C) substrates. It has been shown that diamondlike sp3 structures are formed predominantly at a subsurface level when the beam energy is relatively high, as in the "subplantation" process for hydrogen-free DLC deposition. However, for hydrogenated DLC deposition, the presence of abundant hydrogen at subsurface levels, together with thermal spikes caused by energetic ion injections, substantially enhances the formation of carbon-to-carbon sp3 bonds. Therefore, the sp3 bond formation process for hydrogenated DLC films essentially differs from that for hydrogen-free DLC films.

  18. μ-Opioid receptors within subregions of the striatum mediate pair bond formation through parallel yet distinct reward mechanisms.

    Science.gov (United States)

    Resendez, Shanna L; Dome, Mackenzie; Gormley, Gwen; Franco, Dena; Nevárez, Natalie; Hamid, Arif A; Aragona, Brandon J

    2013-05-22

    The prairie vole is a socially monogamous rodent that is an excellent animal model for studies of the neurobiology of social attachment. Such studies have demonstrated that activation of reward circuitry during social interactions facilitates pair bond formation. Within this circuitry, μ-opioid receptors (MORs) modulate naturally rewarding behavior in an anatomically segregated manner; MORs located throughout the striatum (dorsal striatum, NAc core, and the entire NAc shell) are implicated in general motivational processes, whereas those located specifically within the dorsomedial NAc shell mediate positive hedonics (and are referred to as a "hedonic hotspot"). The purpose of the present study was to determine whether MORs within these distinct subregions differentially mediate pair bond formation. We first used receptor autoradiography to compare MOR binding densities between these regions. MOR binding was significantly higher in the NAc core and dorsomedial NAc shell compared with the ventral NAc shell. We next used partner preference testing to determine whether MORs within these subregions differentially mediate pair bonding. Blockade of MORs using 1 or 3 μg of H-d-Phe-Cys-Tyr-d-Trp-Arg-Thr-Pen-Thr-NH2 within the dorsal striatum decreased mating during the cohabitation period and inhibited partner preference formation. In contrast, blockade of MORs within dorsomedial NAc shell inhibited partner preference formation without effecting mating behavior, whereas other regions were not involved. Thus, MORs within the dorsal striatum mediate partner preference formation via impairment of mating, whereas those in the dorsomedial NAc shell appear to mediate pair bond formation through the positive hedonics associated with mating. PMID:23699524

  19. Biofilm formation on stainless steel and gold wires for bonded retainers in vitro and in vivo and their susceptibility to oral antimicrobials

    NARCIS (Netherlands)

    Jongsma, Marije A.; Pelser, Floris D. H.; van der Mei, Henny C.; Atema-Smit, Jelly; van de Belt-Gritter, Betsy; Busscher, Henk J.; Ren, Yijin

    2013-01-01

    OBJECTIVE: Bonded retainers are used in orthodontics to maintain treatment result. Retention wires are prone to biofilm formation and cause gingival recession, bleeding on probing and increased pocket depths near bonded retainers. In this study, we compare in vitro and in vivo biofilm formation on d

  20. Ultraclean Si/Si interface formation by surface preparation and direct bonding in ultrahigh vacuum

    DEFF Research Database (Denmark)

    Hermansson, Karin; Grey, Francois; Bengtsson, Stefan;

    1998-01-01

    Silicon surfaces have been cleaned and bonded in ultrahigh vacuum, at a pressure in the 10(-10) Torr range. The bonded interfaces show extremely low contamination levels as measured by secondary ion mass spectroscopy. Nevertheless, a potential barrier could be detected at the interface by spreading...

  1. In vivo biofilm formation on stainless steel bonded retainers during different oral health-care regimens

    NARCIS (Netherlands)

    Jongsma, Marije A.; van der Mei, Henny C.; Atema-Smit, Jelly; Busscher, Henk I.; Ren, Yijin

    2015-01-01

    Retention wires permanently bonded to the anterior teeth are used after orthodontic treatment to prevent the teeth from relapsing to pre-treatment positions. A disadvantage of bonded retainers is biofilm accumulation on the wires, which produces a higher incidence of gingival recession, increased po

  2. Bridge-bonded formate: active intermediate or spectator species in formic acid oxidation on a Pt film electrode?

    Science.gov (United States)

    Chen, Y-X; Heinen, M; Jusys, Z; Behm, R J

    2006-12-01

    We present and discuss the results of an in situ IR study on the mechanism and kinetics of formic acid oxidation on a Pt film/Si electrode, performed in an attenuated total reflection (ATR) flow cell configuration under controlled mass transport conditions, which specifically aimed at elucidating the role of the adsorbed bridge-bonded formates in this reaction. Potentiodynamic measurements show a complex interplay between formation and desorption/oxidation of COad and formate species and the total Faradaic current. The notably faster increase of the Faradaic current compared to the coverage of bridge-bonded formate in transient measurements at constant potential, but with different formic acid concentrations, reveals that adsorbed formate decomposition is not rate-limiting in the dominant reaction pathway. If being reactive intermediate at all, the contribution of formate adsorption/decomposition to the reaction current decreases with increasing formic acid concentration, accounting for at most 15% for 0.2 M DCOOH at 0.7 VRHE. The rapid build-up/removal of the formate adlayer and its similarity with acetate or (bi-)sulfate adsorption/desorption indicate that the formate adlayer coverage is dominated by a fast dynamic adsorption-desorption equilibrium with the electrolyte, and that formate desorption is much faster than its decomposition. The results corroborate the proposal of a triple pathway reaction mechanism including an indirect pathway, a formate pathway, and a dominant direct pathway, as presented previously (Chen, Y. X.; et al. Angew. Chem. Int. Ed. 2006, 45, 981), in which adsorbed formates act as a site-blocking spectator in the dominant pathway rather than as an active intermediate.

  3. Formation process,microstructure and mechanical property of transient liquid phase bonded aluminium-based metal matrix composite joint

    Institute of Scientific and Technical Information of China (English)

    孙大谦; 刘卫红; 贾树盛; 邱小明

    2004-01-01

    The formation process, microstructure and mechanical properties of transient liquid phase (TLP) bonded aluminium-based metal matrix composite (MMC) joint with copper interlayer were investigated. The formation process of the TLP joint comprises a number of stages: plastic deformation and solid diffusion (stage 1), dissolution of interlayer and base metal (stage 2), isothermal solidification (stage 3) and homogenization (stage 4). The microstructure of the joint depends on the joint formation process (distinct stages). The plastic deformation and solid diffusion in stage 1 favoure the intimate contact at interfaces and liquid layer formation. The microstructure of joint consists of aluminium solid solution, alumina particle, Al2Cu and MgAl2O4 compounds in stage 2. The most pronounced feature of joint microstructure in stage 3 is the alumina particle segregation in the center of the joint. The increase of joint shear strength with increasing bonding temperature is mainly attributed to improving the fluidity and wettability of liquid phase and decreasing the amount of Al2Cu brittle phase in the joint. The principal reason of higher bonding temperature (>600 ℃) resulting in lowering obviously the joint shear strength is the widening of alumina particle segregation region that acts as a preferential site for failure. The increase of joint shear strength with increasing holding time is mainly associated with decreasing the amount of Al2 Cu brittle phase and promoting homogenization of joint.

  4. Semipolar (202̅3) nitrides grown on 3C-SiC/(001) Si substrates

    Science.gov (United States)

    Dinh, Duc V.; Presa, S.; Akhter, M.; Maaskant, P. P.; Corbett, B.; Parbrook, P. J.

    2015-12-01

    Heteroepitaxial growth of GaN buffer layers on 3C-SiC/(001) Si templates (4°-offcut towards [110]) by metalorganic vapour phase epitaxy has been investigated. High-temperature grown Al0.5Ga0.5N/AlN interlayers were employed to produce a single (202̅3) GaN surface orientation. Specular crack-free GaN layers showed undulations along [11̅0]{}3{{C}-{SiC}/{Si}} with a root mean square roughness of about 13.5 nm (50 × 50 μm2). The orientation relationship determined by x-ray diffraction (XRD) was found to be [1̅21̅0]GaN ∥[11̅0]{}3{{C}-{SiC}/{Si}} and [3̅034]GaN ∥[110]3C - SiC/Si . Low-temperature photoluminescence (PL) and XRD measurements showed the presence of basal-plane stacking faults in the layers. PL measurements of (202̅3) multiple-quantum-well and light-emitting diode structures showed uniform luminescence at about 500 nm emission wavelength. A small peak shift of about 3 nm was observed in the electroluminescence when the current was increased from 5 to 50 mA (25-250 A cm-2).

  5. Irradiation project of SiC/SiC fuel pin 'INSPIRE': Status and future plan

    International Nuclear Information System (INIS)

    After the March 11 Disaster in East-Japan, Research and Development towards Ensuring Nuclear Safety Enhancement for LWR becomes a top priority R and D in nuclear energy policy of Japan. The role of high temperature non-metallic materials, such as SiC/SiC, is becoming important for the advanced nuclear reactor systems. SiC fibre reinforced SiC composite has been recognised to be the most attractive option for the future, now, METI fund based project, INSPIRE, has been launched as 5-year termed project at OASIS in Muroran Institute of Technology aiming at early realisation of this system. INSPIRE is the irradiation project of SiC/SiC fuel pins aiming to accumulate material, thermal, irradiation effect data of NITE-SiC/SiC in BWR environment. Nuclear fuel inserted SiC/SiC fuel pins are planned to be installed in the Halden reactor. The project includes preparing the NITE-SiC/SiC tubes, joining of end caps, preparation of rigs to control the irradiation environment to BWR condition and the instruments to measure the condition of rigs and pins in operation. Also, basic neutron irradiation data will be accumulated by SiC/SiC coupon samples currently under irradiation in BR2. The output from this project may present the potentiality of NITE-SiC/SiC fuel cladding with the first stage fuel-cladding interaction. (authors)

  6. Doping and stability of 3C-SiC: from thinfilm to bulk growth

    DEFF Research Database (Denmark)

    Jokubavicius, V.; Sun, J.; Linnarsson, M. K.;

    Cubic silicon carbide (3C-SiC) could pave the way for development of advanced electronic and optoelectronic devices. It could be an excellent substrate for growth of nitride and epitaxial graphene layers. Boron doped 3C-SiC films could reach up to 60% efficiency and pave the way for a new solar...... cell technology. Nitrogen and boron doped 3C-SiC layers can depict a new infrared LED. Hexagonal SiC is an excellent substrate for heteropeitaxial growth of 3C-SiC due to excellent compatibility in lattice constant and thermal expansion coefficient. However, the growth of 3C-SiC on such substrates...... is still being followed by a number of obstacles like polytype stabilization and high density of double positioning boundaries in the grown material. The polytype stability during epitaxial growth of doped 3C-SiC has not been explored. Consequently, the polytype stability during bulk growth of doped 3C-SiC...

  7. Self-propagating high-temperature synthesis of TiC-SiC composite material powders

    International Nuclear Information System (INIS)

    The SHS method was applied for production of TiC-SiC composite materials of different phase ratios. Titanium, soot, silicon, silicon carbide, titanium dioxide were used as starting components. Powders, which contain up to 70 and 35 wt. % SiC, were produced from compounds of the Ti-C-Si and Ti-C-SiC systems respectively. The effect of component ratio, partial substitution of initial elements on their oxides (Ti and TiO2), density of starting mixture and inert gas pressure on combustion temperature and rate, phase and chemical content of the products, material structure and properties has been studied

  8. Investigation of biopolymer-based hydrogels as green and heterogeneous catalysts in C-C bond formation

    OpenAIRE

    Kühbeck, Dennis

    2015-01-01

    The present dissertation evaluates the efficacy of different polysaccharides (e.g. chitosan, alginate and kappa-carrageenan) and proteins (e.g. gelatin, collagen, silk fibroin) as possible catalysts for a variety of C-C bond formation reactions. These biopolymers can be obtained in different forms (e.g. hydrogels, mesoporous materials). Among different forms hydrogels are one of the most interesting since they could act as biphasic and heterogeneous systems in chemical transformations and fa...

  9. Regioselective carbon–carbon bond formation of 5,5,5-trifluoro-1-phenylpent-3-en-1-yne

    Directory of Open Access Journals (Sweden)

    Motoki Naka

    2013-10-01

    Full Text Available The regioselective carbon–carbon bond formation was studied using 5,5,5-trifluoro-1-phenylpent-3-en-1-yne as a model substrate, and predominant acceptance of electrophiles β to a CF3 group as well as a deuterium trap experiment of the lithiated species led to the conclusion that the obtained regioselectivity is kinetically determined for the reactions with electrophiles, under equilibration of the possible two anionic species.

  10. Homolytic substitution at phosphorus for C–P bond formation in organic synthesis

    Science.gov (United States)

    2013-01-01

    Summary Organophosphorus compounds are important in organic chemistry. This review article covers emerging, powerful synthetic approaches to organophosphorus compounds by homolytic substitution at phosphorus with a carbon-centered radical. Phosphination reagents include diphosphines, chalcogenophosphines and stannylphosphines, which bear a weak P–heteroatom bond for homolysis. This article deals with two transformations, radical phosphination by addition across unsaturated C–C bonds and substitution of organic halides. PMID:23843922

  11. Evolution of the chemical bonding nature and electrode activity of indium selenide upon the composite formation with graphene nanosheets

    International Nuclear Information System (INIS)

    Graphical abstract: Display Omitted -- Highlights: • In4Se2.85@graphene nanocomposite is easily prepared by high energy mechanical milling process. • The bond covalency of In4Se2.85 is notably changed upon the composite formation with graphene. • In4Se2.85@graphene nanocomposite shows promising anode performance for lithium ion battery. -- Abstract: Evolution of the chemical bonding nature and electrochemical activity of indium selenide upon the composite formation with carbon species is systematically investigated. Nanocomposites of In4Se2.85@graphene and In4Se2.85@carbon-black are synthesized via a solid state reaction between In and Se elements, and the following high energy mechanical milling of In4Se2.85 with graphene and carbon-black, respectively. The high energy mechanical milling (HEMM) of In4Se2.85 with carbon species gives rise to a decrease of particle size with a significant depression of the crystallinity of In4Se2.85 phase. In contrast to the composite formation with carbon-black, that with graphene induces a notable decrease of (In−Se) bond covalency, underscoring significant chemical interaction between graphene and In4Se2.85. Both the nanocomposites of In4Se2.85@graphene and In4Se2.85@carbon-black show much better anode performance for lithium ion batteries with larger discharge capacity and better cyclability than does the pristine In4Se2.85 material, indicating the beneficial effect of composite formation on the electrochemical activity of indium selenide. Between the present nanocomposites, the electrode performance of the In4Se2.85@graphene nanocomposite is superior to that of the In4Se2.85@carbon-black nanocomposite, which is attributable to the weakening of (In−Se) bonds upon the composite formation with graphene as well as to the better mixing between In4Se2.85 and graphene. The present study clearly demonstrates that the composite formation with graphene has strong influence on the chemical bonds and electrode activity of indium

  12. Dissolution kinetics of tuff rock and mechanism of chemical bond formation at the interface with cement grout

    International Nuclear Information System (INIS)

    The interaction of tuff rock and cement was studied to evaluate the effectiveness of sealing of tuff boreholes with cementitious grouts. Previous studies indicated chemical bond formation between tuff and cement. Dissolution studies were carried out on Topopah Spring member tuff and on tuff with cement. The results indicate the formation of calcium silicate and calcium aluminosilicate hydrates; phase identification is confirmed by XRD studies. The significance of the results obtained and their implications on properties of the interfacial region are included. 7 refs., 6 figs

  13. Cooperativity between Al Sites Promotes Hydrogen Transfer and Carbon-Carbon Bond Formation upon Dimethyl Ether Activation on Alumina.

    Science.gov (United States)

    Comas-Vives, Aleix; Valla, Maxence; Copéret, Christophe; Sautet, Philippe

    2015-09-23

    The methanol-to-olefin (MTO) process allows the conversion of methanol/dimethyl ether into olefins on acidic zeolites via the so-called hydrocarbon pool mechanism. However, the site and mechanism of formation of the first carbon-carbon bond are still a matter of debate. Here, we show that the Lewis acidic Al sites on the 110 facet of γ-Al2O3 can readily activate dimethyl ether to yield CH4, alkenes, and surface formate species according to spectroscopic studies combined with a computational approach. The carbon-carbon forming step as well as the formation of methane and surface formate involves a transient oxonium ion intermediate, generated by a hydrogen transfer between surface methoxy species and coordinated methanol on adjacent Al sites. These results indicate that extra framework Al centers in acidic zeolites, which are associated with alumina, can play a key role in the formation of the first carbon-carbon bond, the initiation step of the industrial MTO process. PMID:27162986

  14. Synthesis and reactivity of silyl ruthenium complexes: the importance of trans effects in C-H activation, Si-C bond formation, and dehydrogenative coupling of silanes.

    Science.gov (United States)

    Dioumaev, Vladimir K; Procopio, Leo J; Carroll, Patrick J; Berry, Donald H

    2003-07-01

    with PMe(3) or PMe(3)-d(9) - is also regioselective (1a-d(9)() is predominantly produced with PMe(3)-d(9) trans to Si), but is very unfavorable. At 70 degrees C, a slower but irreversible SiH elimination also occurs and furnishes (PMe(3))(4)RuH(2). The structure of 4a exhibits a tetrahedral P(3)Si environment around the metal with the three hydrides adjacent to silicon and capping the P(2)Si faces. Although strong Si...HRu interactions are not indicated in the structure or by IR, the HSi distances (2.13-2.23(5) A) suggest some degree of nonclassical SiH bonding in the H(3)SiR(3) fragment. Thermolysis of 1a in C(6)D(6) at 45-55 degrees C leads to an intermolecular CD activation of C(6)D(6). Extensive H/D exchange into the hydride, SiMe(3), and PMe(3) ligands is observed, followed by much slower formation of cis-(PMe(3))(4)Ru(D)(Ph-d(5)). In an even slower intramolecular CH activation process, (PMe(3))(3)Ru(eta(2)-CH(2)PMe(2))H (5) is also produced. The structure of intermediates, mechanisms, and aptitudes for PMe(3) dissociation and addition/elimination of H-H, Si-H, C-Si, and C-H bonds in these systems are discussed with a special emphasis on the trans effect and trans influence of silicon and ramifications for SiC coupling catalysis. PMID:12823028

  15. Fabrication and characteristics of the nc-Si/c-Si heterojunction MAGFET

    Institute of Scientific and Technical Information of China (English)

    Zhao Xiaofeng; Wen Dianzhong

    2009-01-01

    A MAGFET using an nc-Si/c-Si heterojunction as source and drain was fabricated by CMOS technology, using two ohm-contact electrodes as Hall outputs on double sides of the channel situated 0.7L from the source. The experimental results show that when V_(DS) = -7.0 V, the magnetic sensitivity of the single nc-Si/c-Si heterojunction magnetic metal oxide semiconductor field effect transistor (MAGFET) with an L : W ratio of 2 : 1 is 21.26 mV/T,and that with an L : W ratio of 4 : 1 is 13.88 mV/T. When the outputs of double nc-Si/c-Si heterojunction MAGFETs with an L : W ratio of 4 : 1 are in series, their magnetic sensitivity is 22.74 mV/T, which is an improvement of about 64% compared with that of a single nc-Si/c-Si heterojunction MAGFET.

  16. Physicochemical interactions resulting from the use of a SiC/SiC composite material in typical environments of future nuclear reactors

    International Nuclear Information System (INIS)

    The development of high purity SiC fibers during the nineties has led to their consideration as nuclear reactors components through the use of SiC/SiC composites. SiC and SiC/SiC composites are considered as core materials of future nuclear reactors (SFR, GFR) and as a potential replacement for the zirconium cladding of PWR. Therefore, the thermochemical compatibility of these materials with typical environments of those nuclear reactors has been studied. The composition and the growth kinetics of the reaction zone of SiC towards niobium and tantalum (considered as materials to ensure the leak-tightness of a SiC/SiC cladding for GFR) have been studied between 1050 and 1500 C. High temperature heat treatments in open and closed systems between SiC and UO2 have shown a significant reactivity over 1200 C characterized by the formation of CO and uranium silicides. Moreover, a liquid phase has been detected between 1500 and 1650 C. The exposure of SiC/SiC to liquid sodium (550 C, up to 2000 h) has been studied as a function of the oxygen concentration dissolved in liquid sodium. An improvement of the mechanical properties of the composites elaborated for this study (increase of the tensile strength and strain at failure) has been highlighted after immersion in the liquid sodium independently of its oxygen concentration. It is believed that this phenomenon is due to the presence of residual sodium in the material. (author)

  17. Minimum bar size for flexure testing of irradiated SiC/SiC composite

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23-24, 1997. The minimum bar size for 4-point flexure testing of SiC/SiC composite recommended by PNNL for irradiation effects studies is 30 {times} 6 {times} 2 mm{sup 3} with a span-to-depth ratio of 10/1.

  18. High temperature oxidation of SiC under helium with low-pressure oxygen. Part 3: β-SiC-SiC/PyC/SiC

    International Nuclear Information System (INIS)

    In the frame of generation IV gas-cooled fast reactor (GFR), the cladding materials currently considered is a SiC/SiC-based composite with a pyrocarbon interphase and a β-SiC coating on the surface to close the porosity (noted beta-SiC-SiC/PyC/SiC). These elements are subjected to temperatures going from 1300 to 1500 K in nominal operating conditions to 1900-2300 K in accidental conditions. The coolant gas considered is helium pressurized at 7 MPa. After a thermodynamic study carried out on the oxidation of beta-SiC under helium and low oxygen partial pressures, an experimental approach was made on β-SiC-SiC/PyC/SiC composites under active oxidation conditions (1400 ≤ T ≤ 2300 K; 0.2 ≤ pO2 ≤ 2 Pa). This study follows two preceding studies carried out on two polytypes of SiC: α (Part 1) and β (Part 2) under the same conditions. In these studies, the influence of the crystalline structure on the transition temperature between passive and active oxidation and on the mass loss rate was discussed. The experimental study allows to determine the oxidation rates in incidental and accidental conditions under pO2 = 0.2 and 2 Pa. The variation of the mass loss rates according to the temperature for β-SiC-SiC/PyC/SiC oxidized under pO2 = 0.2 and 2 Pa shows the existence of three domains in the zone of active oxidation. These tests also show the weak impact of the oxygen partial pressure on the mass loss rate of the material in this range of pressure for temperatures lower than 2070 K. On the other hand, beyond 2070 K, an increase of the mass loss rate leading to important damage of the material has been observed, at lower temperature under pO2 = 0.2 Pa than under pO2 = 2 Pa. This variation was associated to the effect of the oxygen partial pressure on the sublimation temperature of SiC. Similar experiments were performed on pre-oxidized samples and on the face without CVD β-SiC coating and both the results are close to the ones obtained for the face with the CVD

  19. Nano-SiC/SiC anti-oxidant coating on the surface of graphite

    Science.gov (United States)

    Jafari, H.; Ehsani, N.; Khalifeh-Soltani, S. A.; Jalaly, M.

    2013-01-01

    In this research, a dual-layer coating has been used to improve high temperature oxidation resistance of graphite substrate. For first layer, silicon carbide was applied by pack cementation method. Powder pack consisted of Si, SiC and Al2O3 and heat-treated at 1650 °C in an argon atmosphere. SEM and XRD characterizations confirmed formation of SiC diffusion coating with about 500 μm including compositionally gradient of C and Si elements. Electrophoretic deposition (EPD) was used to deposit nano SiC (SiCn) particles as second layer. Thickness of second layer of SiCn in corresponded optimal situation was 50 μm. Samples with single and dual layers were investigated in oxidation test at 1600 °C. Results showed that an extreme increase was occurred in oxidation resistance after application of second layer of nano SiC. Weight loss value for single layer coating of SiC and dual layer coating of SiCn/SiC after oxidation test for 28 h at 1600 °C were 29 wt.% and 2.4 wt.%, respectively.

  20. Further Developments in Modeling Creep Effects Within Structural SiC/SiC Components

    Science.gov (United States)

    Lang, Jerry; DiCarlo, James A.

    2008-01-01

    Anticipating the implementation of advanced SiC/SiC composites into turbine section components of future aero-propulsion engines, the primary objective of this on-going study is to develop physics-based analytical and finite-element modeling tools to predict the effects of constituent creep on SiC/SiC component service life. A second objective is to understand how to possibly manipulate constituent materials and processes in order to minimize these effects. Focusing on SiC/SiC components experiencing through-thickness stress gradients (e.g., airfoil leading edge), prior NASA creep modeling studies showed that detrimental residual stress effects can develop globally within the component walls which can increase the risk of matrix cracking. These studies assumed that the SiC/SiC composites behaved as isotropic viscoelastic continuum materials with creep behavior that was linear and symmetric with stress and that the creep parameters could be obtained from creep data as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The present study expands on those prior efforts by including constituent behavior with non-linear stress dependencies in order to predict such key creep-related SiC/SiC properties as time-dependent matrix stress, constituent creep and content effects on composite creep rates and rupture times, and stresses on fiber and matrix during and after creep.

  1. μc-Si:H(n)/c-Si(p)异质结太阳能电池性能的模拟研究%Simulation of the Performance of μc-Si: H(n)/c-Si(p) Heterojunction Solar Cell

    Institute of Scientific and Technical Information of China (English)

    吕雁文; 刘淑平; 聂慧军

    2015-01-01

    通过AFORS-HET软件分析了μc-Si:H(n)发射层,前后a-Si:H(i)本征层的厚度和带隙,对μc-Si:H(n)/a-Si:H (i)/c-Si(p)/a-Si:H(i)/μc-Si:H(p+)太阳能电池性能的影响.模拟得出a-Si:H(i)本征层通过钝化界面来提高太阳能电池的性能,同样μc-Si:H(p+)背场提高了电池的转换效率.μc-Si:H(n)发射层的厚度为6nm,带隙为1.6 eV;前后a-Si:H(i)本征层的厚度和带隙分别为3nm和1.6 eV,电池的性能达到最佳.此优化结果可以促进提高低成本高效率的太阳能电池技术.

  2. Diacetoxyiodobenzene assisted C-O bond formation via sequential acylation and deacylation process: synthesis of benzoxazole amides and their mechanistic study by DFT.

    Science.gov (United States)

    Nahakpam, Lokendrajit; Chipem, Francis A S; Chingakham, Brajakishor S; Laitonjam, Warjeet S

    2016-08-10

    An efficient method for the transformation of N-substituted-N'-benzoylthioureas to substituted N-benzoxazol-2-yl-amides using diacetoxyiodobenzene (DIB) is described in this work. The transformation follows the C-O bond formation leading to the benzoxazole derivative, due to oxidative dehydrogenation by DIB, instead of the expected C-S bond formation of the benzothiazole moiety. The C-O bond formation leading to benzoxazole is due to consecutive acylation and deacylation in conjunction with the reduction of two moles of DIB. A plausible mechanism was proposed for the reaction and density functional calculations were also performed to study the reaction mechanism.

  3. Effectiveness of Diffusion Barrier Coatings for Mo-Re Embedded in C/SiC and C/C

    Science.gov (United States)

    Glass, David E.; Shenoy, Ravi N.; Wang, Zeng-Mei; Halbig, Michael C.

    2001-01-01

    Advanced high-temperature cooling applications may often require the elevated-temperature capability of carbon/silicon carbide or carbon/carbon composites in combination with the hermetic capability of metallic tubes. In this paper, the effects of C/SiC and C/C on tubes fabricated from several different refractory metals were evaluated. Though Mo, Nb, and Re were evaluated in the present study, the primary effort was directed toward two alloys of Mo-Re, namely, arc cast Mo-41Re and powder metallurgy Mo-47.5Re. Samples of these refractory metals were subjected to either the PyC/SiC deposition or embedding in C/C. MoSi2(Ge), R512E, and TiB2 coatings were included on several of the samples as potential diffusion barriers. The effects of the processing and thermal exposure on the samples were evaluated by conducting burst tests, microhardness surveys, and scanning electron microscopic examination (using either secondary electron or back scattered electron imaging and energy dispersive spectroscopy). The results showed that a layer of brittle Mo-carbide formed on the substrates of both the uncoated Mo-41Re and the uncoated Mo-47.5Re, subsequent to the C/C or the PyC/SiC processing. Both the R512E and the MoSi2(Ge) coatings were effective in preventing not only the diffusion of C into the Mo-Re substrate, but also the formation of the Mo-carbides. However, none of the coatings were effective at preventing both C and Si diffusion without some degradation of the substrate.

  4. Synthesis of Oxygen Heterocycles via Aromatic C-O Bond Formation Using Arynes

    Directory of Open Access Journals (Sweden)

    Hideto Miyabe

    2015-07-01

    Full Text Available Most of the synthetic approaches to the benzo-fused heterocycles containing an oxygen atom have involved the use of phenol derivatives as a starting material. This review highlights the new synthetic approaches involving the aromatic C-O bond-forming process using arynes. The insertion of arynes into the C=O bond gives the unstable intermediates, [2 + 2] cycloaddition-type adducts, which can be easily converted into a variety of oxygen atom-containing heterocycles in a single operation. In this review, the syntheses of oxygen heterocycles, such as coumarin, chromene, xanthene, dihydrobenzofuran and benzofuran derivatives, via the insertion of arynes into the C=O bond of aldehydes or formamides are summarized.

  5. Evaluation of Bonding Shear Performance of Ultra-High-Performance Concrete with Increase in Delay in Formation of Cold Joints

    Directory of Open Access Journals (Sweden)

    Han-Seung Lee

    2016-05-01

    Full Text Available This study set out to derive the optimal conditions for ensuring the monolithicity of ultra-high-performance concrete (UHPC. Direct shear tests were performed to examine the influence on the bonding shear performance. The experimental variables included tamping and delay, which were set to 0, 15, 30, and 60 min. SEM and XRD analyses of the microstructure and composition were performed. The direct shear tests showed that the bonding shear strength was enhanced by the addition of tamping. For the normal-strength concrete (NSC, it is thought that a monolithicity of around 95% can be attained with a cold joint formation delay up to 60 min. In contrast, while the normalized bonding shear strength reduction of UHPC with a delay of 15 min was the lowest at around 8%, a dramatic degradation in the bonding shear performance was observed after 15 min. XRD analyses of the middle and surface sections revealed the composition of the thin film formed at the surface of the UHPC and, as a result, the main component appeared to be SiO2, which is believed to be a result of the rising of the SiO2-based filler, used as an admixture in this study, towards the surface, due to its low specific gravity.

  6. Porous SiC/SiC composites development for industrial application

    International Nuclear Information System (INIS)

    Silicon carbide (SiC) is promising structural materials in nuclear fields due to an excellent irradiation resistance and low activation characteristics. Conventional SiC fibers reinforced SiC matrix (SiC/SiC composites) fabricated by liquid phase sintering (LPS-SiC/SiC composites) have been required high cost and long processing time. And microstructure and mechanical property data of finally obtained LPS-SiC/SiC composites are easily scattered, because quality of the composites depend on personal skill. Thus, conventional LPS-SiC/SiC composites are inadequate for industrial use. In order to overcome these issues, the novel “porous SiC/SiC composites” have been developed by means of liquid phase sintering fabrication process. The composites consist of porous SiC matrix and SiC fibers without conventional carbon interfacial layer. The composites don’t have concerns of the degradation interfacial layer at the severe accident. Porous SiC/SiC composites preform was prepared with a thin sheet shape of SiC, sintering additives and carbon powder mixture by tape casting process which was adopted because of productive and high yielding rate fabrication process. The preform was stacked with SiC fibers and sintered in hot-press at the high temperature in argon environment. The sintered preform was decarburized obtain porous matrix structure by heat-treatment in air. Moreover, mechanical property data scattering of the obtained porous SiC/SiC composites decreased. In the flexural test, the porous SiC/SiC composites showed pseudo-ductile behavior with sufficient strength even after heat treatment at high temperature in air. From these conclusions, it was proven that porous SiC/SiC composites were reliable material at severe environment such as high temperature in air, by introducing tape casting fabrication process that could produce reproducible materials with low cost and simple way. Therefore development of porous SiC/SiC composites for industrial application was

  7. Formation of Me–O–Si covalent bonds at the interface between polysilazane and stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Amouzou, Dodji, E-mail: adodji@gmail.com [Research Centre in Physics of Matter and Radiation (PMR), University of Namur, Rue de Bruxelles 61, 5000 Namur (Belgium); Fourdrinier, Lionel; Maseri, Fabrizio [CRM-Group, Boulevard de Colonster, B 57, 4000 Liège (Belgium); Sporken, Robert [Research Centre in Physics of Matter and Radiation (PMR), University of Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)

    2014-11-30

    Highlights: • Natural metal-oxides, hydroxides are detected on the top surface of steel substrates we tested. • Polysilazane reacts with hydroxide functional groups on steel substrates to form Cr–O–Si and Fe–O–Si covalent bonds. • Covalent bonding between steel and polysilazane at the interface was probed using spectroscopic techniques. - Abstract: In earlier works, we demonstrated the potential of polysilazane (PSZ) coatings for a use as insulating layers in Cu(In,Ga)Se{sub 2} (CIGS) solar cells prepared on steels substrates and showed a good adhesion between PSZ coatings and both AISI316 and AISI430 steels. In the present paper, spectroscopic techniques are used to elucidate the reason of such adhesion. X-ray Photoelectron Spectroscopy (XPS) was used to investigate surfaces for the two steel substrates and showed the presence of metal oxides and metal hydroxides at the top surface. XPS has been also used to probe interfaces between substrates and PSZ, and metallosiloxane (Me–O–Si) covalent bonds have been detected. These results were confirmed by Infra-Red Reflection Absorption Spectroscopy (IRRAS) analyses since vibrations related to Cr–O–Si and Fe–O–Si compounds were detected. Thus, the good adhesion between steel substrates and PSZ coatings was explained by covalent bonding through chemical reactions between PSZ precursors and hydroxide functional groups present on top surface of the two types of steel. Based on these results, an adhesion mechanism between steel substrates and PSZ coatings is proposed.

  8. Effect of hydrogen bonding and hydrophobic interaction on the formation of supramolecular hydrogels formed by L-phenylalanine derivative hydrogelator

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new hydrogelator, pyridinium bromide salt of N-6-bromohexanoyl-L-phenylamino octadecane, was synthesized. Supramolecular hydrogels can be formed through the self-assembly of this hydrogelator in water. In this work, D2O was used instead of H2O as solvent for FT-IR measurement due to the fact that it is impossible to obtain useful FT-IR information on the hydrogen bonding in water. The investigation of FT-IR and steady-state fluorescence indicated that the driving forces for the self-assembly were mainly hydrogen bonding and hydrophobic interaction. Based on the data of XRD and molecular modeling, the possible mechanism of the formation of hydrogelator aggregates was proposed.

  9. Ruthenium-Catalyzed Transfer Hydrogenation for C-C Bond Formation: Hydrohydroxyalkylation and Hydroaminoalkylation via Reactant Redox Pairs.

    Science.gov (United States)

    Perez, Felix; Oda, Susumu; Geary, Laina M; Krische, Michael J

    2016-06-01

    Merging the chemistry of transfer hydrogenation and carbonyl or imine addition, a broad new family of redox-neutral or reductive hydrohydroxyalkylations and hydroaminomethylations have been developed. In these processes, hydrogen redistribution between alcohols and π-unsaturated reactants is accompanied by C-C bond formation, enabling direct conversion of lower alcohols to higher alcohols. Similarly, hydrogen redistribution between amines to π-unsaturated reactants results in direct conversion of lower amines to higher amines. Alternatively, equivalent products of hydrohydroxyalkylation and hydroaminomethylation may be generated through the reaction of carbonyl compounds or imines with π-unsaturated reactants under the conditions of 2-propanol-mediated reductive coupling. Finally, using vicinally dioxygenated reactants, that is, diol, ketols, or diones, successive transfer hydrogenative coupling occurs to generate 2 C-C bonds, resulting in products of formal [4+2] cycloaddition. PMID:27573275

  10. CVD growth of (001) and (111)3C-SiC epilayers and their interface reactivity with praseodymium oxide dielectric layers

    International Nuclear Information System (INIS)

    In this work, growth and characterisation of 3C-SiC thin films, investigation of oxidation of thus prepared layers and Pr-silicate and AlON based interface with SiC have been studied. Chemical vapor deposition of 3C-SiC thin films on Si(001) and Si(111) substrates has been investigated. Prior to the actual SiC growth, preparation of initial buffer layers of SiC was done. Using such a buffer layer, epitaxial growth of 3C-SiC has been achieved on Si(111) and Si(001) substrates. The temperature of 1100 C and 1150 C has been determined to be the optimal temperature for 3C-SiC growth on Si (111) and Si(001) substrates respectively. The oxidation studies on SiC revealed that a slow oxidation process at moderate temperatures in steps was useful in reducing and suppressing the g-C at the SiO2/SiC interface. Clean, graphite-free SiO2 has been successfully grown on 3C-SiC by silicon evaporation and UHV anneal. For the application of high-k Pr2O3 on silicon carbide, plausible interlayer, Pr-Silicate and AlON, have been investigated. Praseodymium silicate has been prepared successfully completely consuming the SiO2 and simultaneously suppressing the graphitic carbon formation. A comparatively more stable interlayer using AlON has been achieved. This interlayer mainly consists of stable phases of AlN along with some amount of Pr-aluminates and CN. Such layers act as a reaction barrier between Pr2O3 and SiC, and simultaneously provide higher band offsets. (orig.)

  11. CVD growth of (001) and (111)3C-SiC epilayers and their interface reactivity with pradeodymium oxide dielectric layers

    Energy Technology Data Exchange (ETDEWEB)

    Sohal, R.

    2006-07-24

    In this work, growth and characterisation of 3C-SiC thin films, investigation of oxidation of thus prepared layers and Pr-silicate and AlON based interface with SiC have been studied. Chemical vapor deposition of 3C-SiC thin films on Si(001) and Si(111) substrates has been investigated. Prior to the actual SiC growth, preparation of initial buffer layers of SiC was done. Using such a buffer layer, epitaxial growth of 3C-SiC has been achieved on Si(111) and Si(001) substrates. The temperature of 1100 C and 1150 C has been determined to be the optimal temperature for 3C-SiC growth on Si (111) and Si(001) substrates respectively. The oxidation studies on SiC revealed that a slow oxidation process at moderate temperatures in steps was useful in reducing and suppressing the g-C at the SiO{sub 2}/SiC interface. Clean, graphite-free SiO{sub 2} has been successfully grown on 3C-SiC by silicon evaporation and UHV anneal. For the application of high-k Pr{sub 2}O{sub 3} on silicon carbide, plausible interlayer, Pr-Silicate and AlON, have been investigated. Praseodymium silicate has been prepared successfully completely consuming the SiO2 and simultaneously suppressing the graphitic carbon formation. A comparatively more stable interlayer using AlON has been achieved. This interlayer mainly consists of stable phases of AlN along with some amount of Pr-aluminates and CN. Such layers act as a reaction barrier between Pr{sub 2}O{sub 3} and SiC, and simultaneously provide higher band offsets. (orig.)

  12. 数值模拟提高μc-Si:H(n)/c-Si(p)异质结太阳能电池的界面载流子传输质量%Numerical Simulations for Improving the Interface Carries Transport Quality of μc-Si:H(n)/c-Si(p) Heterojunction Solar Cell

    Institute of Scientific and Technical Information of China (English)

    吕雁文; 刘淑平; 聂慧军

    2015-01-01

    通过使用AFORS-HET软件模拟透明导电膜(TCO)的功函数对能带结构的影响,以及能带失配的影响,载流子的运动和分布来分析和讨论界面处载流子传输性能.结果表明界面处的能带失配和透明导电膜的功函数强烈的影响载流子的传输质量和太阳能电池的性能.当导带失配在μc-Si:H(n)/c-Si(p)界面低于0.3eV,透明导电膜的功函数在TCO/μc-Si:H(n)界面低于4.3eV并且导带失配在c-Si(p)/BSF界面为0.25eV时,模拟具有纹理结构的TCO/μc-Si:H(n)/a-Si:H(i)/c-Si(p)/a-Si:H(i)/μc-Si: H(p+)/TCO太阳能电池的Voc为775mV,Jsc为42.03mA/cm2,FF为75%,而效率达到了24.43%.这说明进一步深入的理解太阳能电池的界面传输机理可以提高太阳能电池界面载流子传输质量和电池效率.

  13. Electrical Resistance of SiC/SiC Ceramic Matrix Composites for Damage Detection and Life-Prediction

    Science.gov (United States)

    Smith, Craig; Morscher, Gregory; Xia, Zhenhai

    2009-01-01

    Ceramic matrix composites (CMC) are suitable for high temperature structural applications such as turbine airfoils and hypersonic thermal protection systems due to their low density high thermal conductivity. The employment of these materials in such applications is limited by the ability to accurately monitor and predict damage evolution. Current nondestructive methods such as ultrasound, x-ray, and thermal imaging are limited in their ability to quantify small scale, transverse, in-plane, matrix cracks developed over long-time creep and fatigue conditions. CMC is a multifunctional material in which the damage is coupled with the material s electrical resistance, providing the possibility of real-time information about the damage state through monitoring of resistance. Here, resistance measurement of SiC/SiC composites under mechanical load at both room temperature monotonic and high temperature creep conditions, coupled with a modal acoustic emission technique, can relate the effects of temperature, strain, matrix cracks, fiber breaks, and oxidation to the change in electrical resistance. A multiscale model can in turn be developed for life prediction of in-service composites, based on electrical resistance methods. Results of tensile mechanical testing of SiC/SiC composites at room and high temperatures will be discussed. Data relating electrical resistivity to composite constituent content, fiber architecture, temperature, matrix crack formation, and oxidation will be explained, along with progress in modeling such properties.

  14. Size effects in tin-based lead-free solder joints: Kinetics of bond formation and mechanical characteristics

    Science.gov (United States)

    Abdelhadi, Ousama Mohamed Omer

    Continuous miniaturization of microelectronic interconnects demands smaller joints with comparable microstructural and structural sizes. As the size of joints become smaller, the volume of intermetallics (IMCs) becomes comparable with the joint size. As a result, the kinetics of bond formation changes and the types and thicknesses of IMC phases that form within the constrained region of the bond varies. This dissertation focuses on investigating combination effects of process parameters and size on kinetics of bond formation, resulting microstructure and the mechanical properties of joints that are formed under structurally constrained conditions. An experiment is designed where several process parameters such as time of bonding, temperature, and pressure, and bond thickness as structural chracteristic, are varied at multiple levels. The experiment is then implemented on the process. Scanning electron microscope (SEM) is then utilized to determine the bond thickness, IMC phases and their thicknesses, and morphology of the bonds. Electron backscatter diffraction (EBSD) is used to determine the grain size in different regions, including the bulk solder, and different IMC phases. Physics-based analytical models have been developed for growth kinetics of IMC compounds and are verified using the experimental results. Nanoindentation is used to determine the mechanical behavior of IMC phases in joints in different scales. Four-point bending notched multilayer specimen and four-point bending technique were used to determine fracture toughness of the bonds containing IMCs. Analytical modeling of peeling and shear stresses and fracture toughness in tri-layer four-point bend specimen containing intermetallic layer was developed and was verified and validated using finite element simulation and experimental results. The experiment is used in conjunction with the model to calculate and verify the fracture toughness of Cu6Sn5 IMC materials. As expected two different IMC phases

  15. Palladium-Catalyzed C–C Bond Formations via Activation of Carboxylic Acids and Their Derivatives

    OpenAIRE

    Song, Bingrui

    2013-01-01

    Applications of carboxylic acids and their derivatives in transition metal-catalyzed cross-coupling reactions regio-selectively forming Csp3-Csp2, and Csp2-Csp2 bonds were explored in this thesis. Several important organic building blocks such as aryl acetates, diaryl acetates, imines, ketones, biaryls, styrenes and polysubstituted alkenes were successfully accessed from carboxylic acids and their derivatives by the means of C–H activation and decarboxylative cross-couplings. An efficient ...

  16. Probabilistic modeling of shear-induced formation and breakage of doublets cross-linked by receptor-ligand bonds.

    OpenAIRE

    Long, M.; Goldsmith, H L; Tees, D. F.; C. Zhu

    1999-01-01

    A model was constructed to describe previously published experiments of shear-induced formation and breakage of doublets of red cells and of latexes cross-linked by receptor-ligand bonds (. Biophys. J. 65:1318-1334; Tees and Goldsmith. 1996. Biophys. J. 71:1102-1114;. Biophys. J. 71:1115-1122). The model, based on McQuarrie's master equations (1963. J. Phys. Chem. 38:433-436), provides unifying treatments for three distinctive time periods in the experiments of particles in a Couette flow in ...

  17. Solvent-Free Selective Condensations Based on the Formation of the Olefinic (C=C Bond Catalyzed by Organocatalyst

    Directory of Open Access Journals (Sweden)

    Heyuan Song

    2016-07-01

    Full Text Available Pyrrolidine and its derivatives were used to catalyze aldol and Knoevenagel condensations for the formation of the olefinic (C=C bond under solvent-free conditions. The 3-pyrrolidinamine showed high activity and afforded excellent yields of α,β-unsaturated compounds. The aldol condensation of aromatic/heterocyclic aldehydes with ketones affords enones in high conversion (99.5% and selectivity (92.7%. Good to excellent yields of α,β-unsaturated compounds were obtained in the Knoevenagel condensation of aldehydes with methylene-activated substrates.

  18. Advances in SiC/SiC Composites for Aero-Propulsion

    Science.gov (United States)

    DiCarlo, James A.

    2013-01-01

    In the last decade, considerable progress has been made in the development and application of ceramic matrix composites consisting of silicon carbide (SiC) based matrices reinforced by small-diameter continuous-length SiC-based fibers. For example, these SiC/SiC composites are now in the early stages of implementation into hot-section components of civil aero-propulsion gas turbine engines, where in comparison to current metallic components they offer multiple advantages due to their lighter weight and higher temperature structural capability. For current production-ready SiC/SiC, this temperature capability for long time structural applications is 1250 degC, which is better than 1100 degC for the best metallic superalloys. Foreseeing that even higher structural reliability and temperature capability would continue to increase the advantages of SiC/SiC composites, progress in recent years has also been made at NASA toward improving the properties of SiC/SiC composites by optimizing the various constituent materials and geometries within composite microstructures. The primary objective of this chapter is to detail this latter progress, both fundamentally and practically, with particular emphasis on recent advancements in the materials and processes for the fiber, fiber coating, fiber architecture, and matrix, and in the design methods for incorporating these constituents into SiC/SiC microstructures with improved thermo-structural performance.

  19. Testing of DLR C/C-SiC for HIFiRE 8 Scramjet Combustor

    Science.gov (United States)

    Glass, David E.; Capriotti, Diego P.; Reimer, Thomas; Kutemeyer, Marius; Smart, Michael

    2013-01-01

    Ceramic Matrix Composites (CMCs) have been proposed for hot structures in scramjet combustors. Previous studies have calculated significant weight savings by utilizing CMCs (active and passive) versus actively cooled metallic scramjet structures. Both a C/C and a C/C-SiC material system fabricated by DLR (Stuttgart, Germany) are being considered for use in a passively cooled combustor design for HIFiRE 8, a joint Australia / AFRL hypersonic flight program, expected to fly at Mach 7 for approximately 30 sec, at a dynamic pressure of 55 kPa. Flat panels of the DLR C/C and the C/C-SiC were tested in the NASA Langley Direct Connect Rig (DCR) at Mach 5 and Mach 6 enthalpy for several minutes. Gaseous hydrogen fuel was used to fuel the scramjet combustor. The test panels were instrumented with embedded Type K and Type S thermocouples. Zirconia felt insulation was used in some of the tests to increase the surface temperature of the C/C-SiC panel for approximately 350degF. The final C/C-SiC panel was tested for 3 cycles totaling over 135 sec at Mach 6 enthalpy. Slightly more erosion was observed on the C/C panel than the C/C-SiC panels, but both material systems demonstrated acceptable recession performance for the HIFiRE 8 flight.

  20. Characterization of Sviceucin from Streptomyces Provides Insight into Enzyme Exchangeability and Disulfide Bond Formation in Lasso Peptides.

    Science.gov (United States)

    Li, Yanyan; Ducasse, Rémi; Zirah, Séverine; Blond, Alain; Goulard, Christophe; Lescop, Ewen; Giraud, Caroline; Hartke, Axel; Guittet, Eric; Pernodet, Jean-Luc; Rebuffat, Sylvie

    2015-11-20

    Lasso peptides are bacterial ribosomally synthesized and post-translationally modified peptides. They have sparked increasing interest in peptide-based drug development because of their compact, interlocked structure, which offers superior stability and protein-binding capacity. Disulfide bond-containing lasso peptides are rare and exhibit highly sought-after activities. In an effort to expand the repertoire of such molecules, we heterologously expressed, in Streptomyces coelicolor, the gene cluster encoding sviceucin, a type I lasso peptide with two disulfide bridges originating from Streptomyces sviceus, which allowed it to be fully characterized. Sviceucin and its reduced forms were characterized by mass spectrometry and peptidase digestion. The three-dimensional structure of sviceucin was determined using NMR. Sviceucin displayed antimicrobial activity selectively against Gram-positive bacteria and inhibition of fsr quorum sensing in Enterococcus faecalis. This study adds sviceucin to the type I lasso peptide family as a new representative. Moreover, new clusters encoding disulfide-bond containing lasso peptides from Actinobacteria were identified by genome mining. Genetic and functional analyses revealed that the formation of disulfide bonds in sviceucin does not require a pathway-encoded thiol-disulfide oxidoreductase. Most importantly, we demonstrated the functional exchangeability of the sviceucin and microcin J25 (a non-disulfide-bridged lasso peptide) macrolactam synthetases in vitro, highlighting the potential of hybrid lasso synthetases in lasso peptide engineering. PMID:26343290

  1. A quantum-chemical validation about the formation of hydrogen bonds and secondary interactions in intermolecular heterocyclic systems

    Directory of Open Access Journals (Sweden)

    Boaz Galdino Oliveira

    2009-08-01

    Full Text Available We have performed a detailed theoretical study in order to understand the charge density topology of the C2H4O···C2H2 and C2H4S···C2H2 heterocyclic hydrogen-bonded complexes. Through the calculations derived from Quantum Theory of Atoms in Molecules (QTAIM, it was observed the formation of hydrogen bonds and secondary interactions. Such analysis was performed through the determination of optimized geometries at B3LYP/6-31G(d,p level of theory, by which is that QTAIM topological operators were computed, such as the electronic density ρ(r, Laplacian Ñ2ρ(r, and ellipticity ε. The examination of the hydrogen bonds has been performed through the measurement of ρ(r, Ñ2ρ(r and ε between (O···H—C and (S···H—C, whereas the secondary interaction between axial hydrogen atoms Hα and carbon of acetylene. In this insight, it was verified the existence of secondary interaction only in C2H4S···C2H2 complex because its structure is propitious to form multiple interactions.

  2. Synthesis of 1,2,4-Triazoles via Oxidative Heterocyclization: Selective C-N Bond Over C-S Bond Formation.

    Science.gov (United States)

    Gogoi, Anupal; Guin, Srimanta; Rajamanickam, Suresh; Rout, Saroj Kumar; Patel, Bhisma K

    2015-09-18

    The higher propensity of C-N over C-S bond forming ability was demonstrated, through formal C-H functionalization during the construction of 4,5-disubstituted 1,2,4-triazole-3-thiones from arylidenearylthiosemicarbazides catalyzed by Cu(II). However, steric factors imparted by the o-disubstituted substrates tend to change the reaction path giving thiodiazole as the major or an exclusive product. Upon prolonging the reaction time, the in situ generated thiones are transformed to 4,5-disubstituted 1,2,4-triazoles via a desulfurization process. Two classes of heterocycles viz. 4,5-disubstituted 1,2,4-triazole-3-thiones and 4,5-disubstituted 1,2,4-triazoles can be synthesized from arylidenearylthiosemicarbazides by simply adjusting the reaction time. Desulfurization of 1,2,4-triazole-3-thiones is assisted by thiophilic Cu to provide 1,2,4-triazoles with concomitant formation of CuS and polynuclear sulfur anions as confirmed from scanning electron microscope and energy dispersive X-ray spectroscopy measurements. A one-pot synthesis of an antimicrobial compound has been successfully achieved following this strategy. PMID:26332253

  3. The first chiral diene-based metal-organic frameworks for highly enantioselective carbon-carbon bond formation reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin [UC

    2016-02-01

    We have designed the first chiral diene-based metal–organic framework (MOF), E₂-MOF, and postsynthetically metalated E₂-MOF with Rh(I) complexes to afford highly active and enantioselective single-site solid catalysts for C–C bond formation reactions. Treatment of E₂-MOF with [RhCl(C₂H₄)₂]₂ led to a highly enantioselective catalyst for 1,4-additions of arylboronic acids to α,β-unsaturated ketones, whereas treatment of E₂-MOF with Rh(acac)(C₂H₄)₂ afforded a highly efficient catalyst for the asymmetric 1,2-additions of arylboronic acids to aldimines. Interestingly, E₂-MOF·Rh(acac) showed higher activity and enantioselectivity than the homogeneous control catalyst, likely due to the formation of a true single-site catalyst in the MOF. E₂-MOF·Rh(acac) was also successfully recycled and reused at least seven times without loss of yield and enantioselectivity.

  4. Bile salt-induced intermolecular disulfide bond formation activates Vibrio cholerae virulence.

    Science.gov (United States)

    Yang, Menghua; Liu, Zhi; Hughes, Chambers; Stern, Andrew M; Wang, Hui; Zhong, Zengtao; Kan, Biao; Fenical, William; Zhu, Jun

    2013-02-01

    To be successful pathogens, bacteria must often restrict the expression of virulence genes to host environments. This requires a physical or chemical marker of the host environment as well as a cognate bacterial system for sensing the presence of a host to appropriately time the activation of virulence. However, there have been remarkably few such signal-sensor pairs identified, and the molecular mechanisms for host-sensing are virtually unknown. By directly applying a reporter strain of Vibrio cholerae, the causative agent of cholera, to a thin layer chromatography (TLC) plate containing mouse intestinal extracts, we found two host signals that activate virulence gene transcription. One of these was revealed to be the bile salt taurocholate. We then show that a set of bile salts cause dimerization of the transmembrane transcription factor TcpP by inducing intermolecular disulfide bonds between cysteine (C)-207 residues in its periplasmic domain. Various genetic and biochemical analyses led us to propose a model in which the other cysteine in the periplasmic domain, C218, forms an inhibitory intramolecular disulfide bond with C207 that must be isomerized to form the active C207-C207 intermolecular bond. We then found bile salt-dependent effects of these cysteine mutations on survival in vivo, correlating to our in vitro model. Our results are a demonstration of a mechanism for direct activation of the V. cholerae virulence cascade by a host signal molecule. They further provide a paradigm for recognition of the host environment in pathogenic bacteria through periplasmic cysteine oxidation.

  5. Formation and densification of SiAlON materials by reaction bonding and silicothermal reduction routes

    Science.gov (United States)

    Rouquié, Yann; Jones, Mark I.

    2011-05-01

    Samples of β and O-sialon with different levels of substitution (i.e. z = 1 and 4 for β-sialon and x = 0.05 and 0.2 for O-sialon) have been synthesized by both reaction bonding and silicothermal reduction techniques in a nitrogen atmosphere. The possibility of obtaining dense sialon materials by these lower cost production methods has been investigated using a statistical design methodology. The influence of different parameters (temperature, gas pressure and additive type) on the densification and decomposition has been studied and will be discussed in this presentation.

  6. Formation and densification of SiAlON materials by reaction bonding and silicothermal reduction routes

    Energy Technology Data Exchange (ETDEWEB)

    Rouquie, Yann; Jones, Mark I, E-mail: yrou002@aucklanduni.ac.nz [Department of Material and Chemicals Engineering, University of Auckland, New Zealand Private bag 92019, Auckland Mail Center, Auckland, 1142 (New Zealand)

    2011-05-15

    Samples of {beta} and O-sialon with different levels of substitution (i.e. z = 1 and 4 for {beta}-sialon and x = 0.05 and 0.2 for O-sialon) have been synthesized by both reaction bonding and silicothermal reduction techniques in a nitrogen atmosphere. The possibility of obtaining dense sialon materials by these lower cost production methods has been investigated using a statistical design methodology. The influence of different parameters (temperature, gas pressure and additive type) on the densification and decomposition has been studied and will be discussed in this presentation.

  7. Failure wave motion of 3D-C/SiC composites subjected to shock compression

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The response and failure behavior of 3D-C/SiC composites subjected to shock compression have been experimentally studied.With the help of a one-stage light gas gun,the 3D-C/SiC composite samples,which are subjected to the plane shock compression by LY-12 aluminum flyer sheets with different speeds become available.Based on the analysis of observation for the curve of pressure vs time,which has been measured from the tests as well as from the samples,it is found that when the shock speed is larger than a critical value,the material of 3D-C/SiC will be comminuted and the failure surface will move from the shock plane to its inward direction in the waveform.

  8. High-temperature protective coatings for C/SiC composites

    Directory of Open Access Journals (Sweden)

    Xiang Yang

    2014-12-01

    Full Text Available Carbon fiber-reinforced silicon carbide (C/SiC composites were well-established light weight materials combining high specific strength and damage tolerance. For high-temperature applications, protective coatings had to provide oxidation and corrosion resistance. The literature data introduced various technologies and materials, which were suitable for the application of coatings. Coating procedures and conditions, materials design limitations related to the reactivity of the components of C/SiC composites, new approaches and coating systems to the selection of protective coatings materials were examined. The focus of future work was on optimization by further multilayer coating systems and the anti-oxidation ability of C/SiC composites at temperatures up to 2073 K or higher in water vapor.

  9. Thermogravimetric and microscopic analysis of SiC/SiC materials with advanced interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, C.F. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States); Snead, L.L. [Oak Ridge National Lab., TN (United States)

    1997-04-01

    The chemical stability of SiC/SiC composites with fiber/matrix interfaces consisting of multilayers of SiC/SiC and porous SiC have been evaluated using a thermal gravimetric analyzer (TGA). Previous evaluations of SiC/SiC composites with carbon interfacial layers demonstrated the layers are not chemically stable at goal use temperatures of 800-1100{degrees}C and O{sub 2} concentrations greater than about 1 ppm. No measureable mass change was observed for multilayer and porous SiC interfaces at 800-1100{degrees}C and O{sub 2} concentrations of 100 ppm to air; however, the total amount of oxidizable carbon is on the order of the sensitivity of the TGA. Further studies are in progress to evaluate the stability of these materials.

  10. Tunable violet-blue emission from 3 C-SiC nanowires

    Science.gov (United States)

    Zhu, J.; Wu, H.; Chen, H. T.; Wu, X. L.; Xiong, X.

    2009-04-01

    Bulk quantities of straight and curled cubic silicon carbide nanowires (3 C-SiC NWs) are synthesized from the mixture of ZnS, Si, and C powders. The 3 C-SiC NWs are wrapped by amorphous SiO 2 shells with very thin thicknesses of less than 2.0 nm. The deionized water suspension of the as-made NWs shows a photoluminescence (PL) band centered at 548 nm, and a tunable violet-blue photoluminescence is observed as the excitation wavelength increases from 300 to 375 nm after the SiO 2 shell is removed. The PL band at 548 nm relates to the SiO 2 shell. Careful microstructural observation suggests that the tunable PL originates from the quantum confinement effect of 3 C-SiC nanocrystallites with sizes of several nm at the turning of the curled NWs.

  11. SiC/SiC fuel cladding R and D Project 'SCARLET': Status and future plan

    International Nuclear Information System (INIS)

    This paper provides the recent progress in SiC/SiC development towards early utilisation for LWRs based on NITE method. After the March 11 Disaster in East-Japan, ensuring safe technology for LWR became a top priority R and D in nuclear energy policy of Japan. Along this line, replacement of Zircaloy claddings with SiC/SiC based fuel cladding is becoming one of the most attractive options and a MEXT fund based project, SCARLET, and a METI fund based project have been launched as 5-year termed projects at Muroran Institute of Technology. These projects care for NITE process for making long SiC/SiC fuel pins and connecting technology integration. The SCARLET project also includes coolant compatibility and irradiation effect evaluations as LWR and LMFBR materials. The outline and the present status of the SCARLET project will be briefly introduced in the present paper. (authors)

  12. Enzyme mediated silicon-oxygen bond formation; the use of Rhizopus oryzae lipase, lysozyme and phytase under mild conditions.

    Science.gov (United States)

    Abbate, Vincenzo; Bassindale, Alan R; Brandstadt, Kurt F; Lawson, Rachel; Taylor, Peter G

    2010-10-21

    The potential for expanding the variety of enzymic methods for siloxane bond formation is explored. Three enzymes, Rhizopus oryzae lipase (ROL), lysozyme and phytase are reported to catalyse the condensation of the model compound, trimethylsilanol, formed in situ from trimethylethoxysilane, to produce hexamethyldisiloxane in aqueous media at 25 °C and pH 7. Thermal denaturation and reactant inhibition experiments were conducted to better understand the catalytic role of these enzyme candidates. It was found that enzyme activities were significantly reduced following thermal treatment, suggesting a potential key-role of the enzyme active sites in the catalysis. Similarly, residue-specific modification of the key-amino acids believed to participate in the ROL catalysis also had a significant effect on the silicon bio-catalysis, indicating that the catalytic triad of the lipase may be involved during the enzyme-mediated formation of the silicon-oxygen bond. E. coli phytase was found to be particularly effective at catalysing the condensation of trimethylsilanol in a predominantly organic medium consisting of 95% acetonitrile and 5% water. Whereas the use of enzymes in silicon chemistry is still very much a developing and frontier activity, the results presented herein give some grounds for optimism that the variety of enzyme mediated reactions will continue to increase and may one day become a routine element in the portfolio of the synthetic silicon chemist. PMID:20683529

  13. Emotional experiences of preservice science teachers in online learning: the formation, disruption and maintenance of social bonds

    Science.gov (United States)

    Bellocchi, Alberto; Mills, Kathy A.; Ritchie, Stephen M.

    2016-09-01

    The enactment of learning to become a science teacher in online mode is an emotionally charged experience. We attend to the formation, maintenance and disruption of social bonds experienced by online preservice science teachers as they shared their emotional online learning experiences through blogs, or e-motion diaries, in reaction to videos of face-to-face lessons. A multi-theoretic framework drawing on microsociological perspectives of emotion informed our hermeneutic interpretations of students' first-person accounts reported through an e-motion diary. These accounts were analyzed through our own database of emotion labels constructed from the synthesis of existing literature on emotion across a range of fields of inquiry. Preservice science teachers felt included in the face-to-face group as they watched videos of classroom transactions. The strength of these feelings of social solidarity were dependent on the quality of the video recording. E-motion diaries provided a resource for interactions focused on shared emotional experiences leading to formation of social bonds and the alleviation of feelings of fear, trepidation and anxiety about becoming science teachers. We offer implications to inform practitioners who wish to improve feelings of inclusion amongst their online learners in science education.

  14. Palladium- and copper-mediated N-aryl bond formation reactions for the synthesis of biological active compounds

    Directory of Open Access Journals (Sweden)

    Burkhard Koenig

    2011-01-01

    Full Text Available N-Arylated aliphatic and aromatic amines are important substituents in many biologically active compounds. In the last few years, transition-metal-mediated N-aryl bond formation has become a standard procedure for the introduction of amines into aromatic systems. While N-arylation of simple aromatic halides by simple amines works with many of the described methods in high yield, the reactions may require detailed optimization if applied to the synthesis of complex molecules with additional functional groups, such as natural products or drugs. We discuss and compare in this review the three main N-arylation methods in their application to the synthesis of biologically active compounds: Palladium-catalysed Buchwald–Hartwig-type reactions, copper-mediated Ullmann-type and Chan–Lam-type N-arylation reactions. The discussed examples show that palladium-catalysed reactions are favoured for large-scale applications and tolerate sterically demanding substituents on the coupling partners better than Chan–Lam reactions. Chan–Lam N-arylations are particularly mild and do not require additional ligands, which facilitates the work-up. However, reaction times can be very long. Ullmann- and Buchwald–Hartwig-type methods have been used in intramolecular reactions, giving access to complex ring structures. All three N-arylation methods have specific advantages and disadvantages that should be considered when selecting the reaction conditions for a desired C–N bond formation in the course of a total synthesis or drug synthesis.

  15. Emotional experiences of preservice science teachers in online learning: the formation, disruption and maintenance of social bonds

    Science.gov (United States)

    Bellocchi, Alberto; Mills, Kathy A.; Ritchie, Stephen M.

    2015-08-01

    The enactment of learning to become a science teacher in online mode is an emotionally charged experience. We attend to the formation, maintenance and disruption of social bonds experienced by online preservice science teachers as they shared their emotional online learning experiences through blogs, or e-motion diaries, in reaction to videos of face-to-face lessons. A multi-theoretic framework drawing on microsociological perspectives of emotion informed our hermeneutic interpretations of students' first-person accounts reported through an e-motion diary. These accounts were analyzed through our own database of emotion labels constructed from the synthesis of existing literature on emotion across a range of fields of inquiry. Preservice science teachers felt included in the face-to-face group as they watched videos of classroom transactions. The strength of these feelings of social solidarity were dependent on the quality of the video recording. E-motion diaries provided a resource for interactions focused on shared emotional experiences leading to formation of social bonds and the alleviation of feelings of fear, trepidation and anxiety about becoming science teachers. We offer implications to inform practitioners who wish to improve feelings of inclusion amongst their online learners in science education.

  16. Oxo-group-14-element bond formation in binuclear uranium(V) Pacman complexes.

    Science.gov (United States)

    Jones, Guy M; Arnold, Polly L; Love, Jason B

    2013-07-29

    Simple and versatile routes to the functionalization of uranyl-derived U(V)-oxo groups are presented. The oxo-lithiated, binuclear uranium(V)-oxo complexes [{(py)3LiOUO}2(L)] and [{(py)3LiOUO}(OUOSiMe3)(L)] were prepared by the direct combination of the uranyl(VI) silylamide "ate" complex [Li(py)2][(OUO)(N")3] (N" = N(SiMe3)2) with the polypyrrolic macrocycle H4L or the mononuclear uranyl (VI) Pacman complex [UO2(py)(H2L)], respectively. These oxo-metalated complexes display distinct U-O single and multiple bonding patterns and an axial/equatorial arrangement of oxo ligands. Their ready availability allows the direct functionalization of the uranyl oxo group leading to the binuclear uranium(V) oxo-stannylated complexes [{(R3Sn)OUO}2(L)] (R = nBu, Ph), which represent rare examples of mixed uranium/tin complexes. Also, uranium-oxo-group exchange occurred in reactions with [TiCl(OiPr)3] to form U-O-C bonds [{(py)3LiOUO}(OUOiPr)(L)] and [(iPrOUO)2(L)]. Overall, these represent the first family of uranium(V) complexes that are oxo-functionalised by Group 14 elements.

  17. Bamboo-like 3C-SiC nanowires with periodical fluctuating diameter: Homogeneous synthesis, synergistic growth mechanism, and their luminescence properties

    Science.gov (United States)

    Zhang, Meng; Zhao, Jian; Li, Zhenjiang; Yu, Hongyuan; Wang, Yaqi; Meng, Alan; Li, Qingdang

    2016-11-01

    Herein, bamboo-like 3C-SiC nanowires have been successfully fabricated on homogeneous 6H-SiC substrate by a simple chemical vapor reaction (CVR) approach. The obtained 3C-SiC nanostructure with periodical fluctuating diameter, is composed of two alternating structure units, the typical normal-sized stem segment with perfect crystallinity and obvious projecting nodes segment having high-density stacking faults. The formation of the interesting morphology is significantly subjected to the peculiar growth condition provided by the homogeneous substrate as well as the varying growth elastic energy. Furthermore, the photoluminescence (PL) performance measured on the bamboo-like SiC nanowire shows an intensive emission peaks centered at 451 nm and 467 nm, which has been expected to make a positive progress toward the optical application of the SiC-based one-dimensional (1D) nanostructures, such as light emission diode (LED).

  18. Specimen size effect considerations for irradiation studies of SiC/SiC

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Henager, C.H. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-10-01

    For characterization of the irradiation performance of SiC/SiC, limited available irradiation volume generally dictates that tests be conducted on a small number of relatively small specimens. Flexure testing of two groups of bars with different sizes cut from the same SiC/SiC plate suggested the following lower limits for flexure specimen number and size: Six samples at a minimum for each condition and a minimum bar size of 30 x 6.0 x 2.0 mm{sup 3}.

  19. EFFECTS OF TEMPERATURE ON THE SPECTRAL EMISSIVITY OF C/SiC COMPOSITES

    OpenAIRE

    Yufeng Zhang; Jingmin Dai; Lu Xiaodong; Wu Yuanqing

    2016-01-01

    The effect of temperature on the infrared spectral emissivity of C/SiC composites as a thermal protection material has been studied, using a measurement system based on a FT-IR spectrometer. The spectral emissivity of C/SiC composites in the wavelength range 3-20 μm and in the temperature range from 1000 K to over 2000 K was measured. Based on the analysis of the measured spectral emissivity, variations of the spectral emissivity with temperature were studied. The relationship between emissiv...

  20. Cf/ZrC-SiC Composites Prepared by PIP with RMI%先驱体浸渍裂解结合反应熔渗法制备Cf/ZrC-SiC复合材料

    Institute of Scientific and Technical Information of China (English)

    蒋进明; 王松; 李伟

    2013-01-01

    以先驱体浸渍裂解结合反应熔渗工艺将Cf/C-SiC材料内部富余的自由碳相转变为ZrC超高温陶瓷,制备了Cf/ZrC-SiC复合材料.对Cf/C-SiC基材的孔隙进行了设计,利用XRD和SEM分析了Cf/ZrC-SiC复合材料的微观结构和物相组成.结果表明:采用PIP法可制备具有理想孔隙率的Cf/C-SiC基材;1800℃熔渗Zr-Si合金反应制得的Cf/ZrC-SiC材料主要由SiC和ZrC相组成;高温条件下熔融金属与基体反应的同时,还会侵蚀碳纤维.热解碳涂层能保护纤维.%Cf/ZrC-SiC composite was prepared by PIP with RMI through the conversion carbon of Cf/C-SiC into ZrC phase.The open porosity of Cf/C-SiC was designed, and the component and microstructure of the Cf/ZrC-SiC composite were characterized.The results show that the ideal open porosity of Cf/C-SiC could be obtained by PIP process, and the main compositions C/ZrC-SiC composites, which prepared by heating Zr-Si alloy to 1800 ℃, were ZrC and SiC phase.The reaction between melt and fibre may cause the degradation of carbon fibre.And carbon fibre can be keep from being damaged by PyC coating.

  1. Microtwins and twin inclusions in the 3C-SiC epilayers grown on Si(001) by APCVD

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Microtwins in the 3C-SiC films grown on Si(001) by APCVD were analyzed in detail using an X-ray four-circle diffractometer. The Φ scan shows that 3C-SiC films can grow on Si substrates epitaxially and the epitaxial relationship is revealed as (001)3C-SiC//(001)Si,[111]3C-SiC//[111]Si. Other diffractions emerged in the pole figures of the (111) 3C-SiC. We performed the (1010)h-SiC and the reciprocal space mapping of the (002) plane of twins for the first time, finding that the diffractions at χ=15.8° result from not hexagonal SiC but microtwins of 3C-SiC, and twin inclusions are estimated to be 1%.

  2. Catalysis of peptide bond formation by histidyl-histidine in a fluctuating clay environment

    Science.gov (United States)

    White, D. H.; Erickson, J. C.

    1980-01-01

    The condensation of glycine to form oligoglycines during wet-dry fluctuations on clay surfaces was enhanced up to threefold or greater by small amounts of histidyl-histidine. In addition, higher relative yields of the longer oligomers were produced. Other specific dipeptides tested gave no enhancement, and imidazole, histidine, and N-acetylhistidine gave only slight enhancements. Histidyl-histidine apparently acts as a true catalyst (in the sense of repeatedly catalyzing the reaction), since up to 52 nmol of additional glycine were incorporated into oligoglycine for each nmol of catalyst added. This is the first known instance of a peptide or similar molecule demonstrating a catalytic turnover number greater than unity in a prebiotic oligomer synthesis reaction, and suggests that histidyl-histidine is a model for a primitive prebiotic proto-enzyme. Catalysis of peptide bond synthesis by a molecule which is itself a peptide implies that related systems may be capable of exhibiting autocatalytic growth.

  3. Thermoacoustical analysis of solutions of poly(ethylene glycol) 200 through H-bond complex formation

    Energy Technology Data Exchange (ETDEWEB)

    Yasmin, Maimoona, E-mail: myasmin908@gmail.com [Department of Physics, University of Lucknow, Lucknow 226007 (India); Gupta, Manisha, E-mail: guptagm@rediffmail.com [Department of Physics, University of Lucknow, Lucknow 226007 (India)

    2011-05-10

    Research highlights: {yields} The presence of two electronegative elements viz. nitrogen and oxygen in its molecular architecture, ethanolamine has greater extent of interaction with PEG. {yields} Ethanolamine and m-cresol may be involved in a complex type of network of hydrogen bonding. {yields} Ethanolamine has greater extent of interaction with PEG than m-cresol and aniline particularly with least magnitude from aniline, where electron availability is least because of delocalization. {yields} The difference in molar volume between the components of the mixture control the mixture properties. - Abstract: Densities ({rho}) and ultrasonic velocities (u) of binary mixtures of poly(ethylene glycol) 200, PEG, with ethanolamine, m-cresol and aniline have been measured at various concentrations at 293.15, 303.15 and 313.15 K and have been fitted by third order polynomial equations at each temperature. The calculated values of isentropic compressibility (k{sub s}), free volume (V{sub f}), internal pressure ({pi}{sub i}), relaxation time ({tau}) and surface tension ({sigma}) at different mole fractions of PEG have been used to explain the hydrogen bonding and intermolecular interactions present in the mixture. Using these data, excess molar volume (V{sup E}), excess intermolecular free length (L{sub f}{sup E}), excess acoustic impedance (Z{sup E}) and excess pseudo-Grueneisen parameter ({Gamma}{sup E}) have been calculated and the results have been fitted to Redlich-Kister polynomial equation. All the results support each other and help in understanding the interactions in the mixture. Various models and mixing rules have been applied to evaluate the ultrasonic velocity data and have been compared with the experimental results.

  4. Thermoacoustical analysis of solutions of poly(ethylene glycol) 200 through H-bond complex formation

    International Nuclear Information System (INIS)

    Research highlights: → The presence of two electronegative elements viz. nitrogen and oxygen in its molecular architecture, ethanolamine has greater extent of interaction with PEG. → Ethanolamine and m-cresol may be involved in a complex type of network of hydrogen bonding. → Ethanolamine has greater extent of interaction with PEG than m-cresol and aniline particularly with least magnitude from aniline, where electron availability is least because of delocalization. → The difference in molar volume between the components of the mixture control the mixture properties. - Abstract: Densities (ρ) and ultrasonic velocities (u) of binary mixtures of poly(ethylene glycol) 200, PEG, with ethanolamine, m-cresol and aniline have been measured at various concentrations at 293.15, 303.15 and 313.15 K and have been fitted by third order polynomial equations at each temperature. The calculated values of isentropic compressibility (ks), free volume (Vf), internal pressure (πi), relaxation time (τ) and surface tension (σ) at different mole fractions of PEG have been used to explain the hydrogen bonding and intermolecular interactions present in the mixture. Using these data, excess molar volume (VE), excess intermolecular free length (LfE), excess acoustic impedance (ZE) and excess pseudo-Grueneisen parameter (ΓE) have been calculated and the results have been fitted to Redlich-Kister polynomial equation. All the results support each other and help in understanding the interactions in the mixture. Various models and mixing rules have been applied to evaluate the ultrasonic velocity data and have been compared with the experimental results.

  5. Enthalpy of Formation and O-H Bond Dissociation Enthalpy of Phenol: Inconsistency between Theory and Experiment.

    Science.gov (United States)

    Dorofeeva, Olga V; Ryzhova, Oxana N

    2016-04-21

    Gas-phase O–H homolytic bond dissociation enthalpy in phenol, DH298°(C6H5O–H), is still disputed, despite a large number of experimental and computational studies. In estimating this value, the experimental enthalpy of formation of phenol, ΔfH298°(C6H5OH, g) = −96.4 ± 0.6 kJ/mol (Cox, J. D. Pure Appl. Chem. 1961, 2, 125−128), is often used assuming high accuracy of the experimental value. In the present work a substantially less negative value of ΔfH298°(C6H5OH, g) = −91.8 ± 2.5 kJ/mol was calculated combining G4 theory with an isodesmic reaction approach. A benchmark quality of this result was achieved by using a large number of reliable reference species in isodesmic reaction calculations. Among these are the most accurate ΔfH298° values currently available from the Active Thermochemical Tables (ATcT) for 36 species (neutral molecules, radicals, and ions), anisole with recently reassessed enthalpy of formation, and 13 substituted phenols. The internal consistency of the calculated ΔfH298°(C6H5OH, g) value with the experimental enthalpies of formation of more than 50 reference species suggests that the reported experimental enthalpy of formation of phenol is in error. Taking into account that the enthalpy of formation of phenol has not been investigated experimentally since 1961, the new measurements would be extremely valuable. Using the accurate enthalpies of formation of C6H5OH and C6H5O• calculated in the present work, we obtained DH298°(C6H5O–H) = 369.6 ± 4.0 kJ/mol. This value is in satisfactory agreement with that determined from the most precise experimental measurement.

  6. Enantioselective Formation of a Dynamic Hydrogen-Bonded Assembly Based on the Chiral Memory Concept

    NARCIS (Netherlands)

    Ishi-i, Tsutomu; Crego Calama, Mercedes; Timmerman, Peter; Reinhoudt, David N.; Shinkai, Seiji

    2002-01-01

    In this paper, we report the enantioselective formation of a dynamic noncovalent double rosette assembly 1a3·(CYA)6 composed of three 2-pyridylcalix[4]arene dimelamines (1a) and six butylcyanuric acid molecules (BuCYA). The six 2-pyridyl functionalities of the assembly interact stereoselectively wit

  7. Heat-induced whey protein isolate fibrils: Conversion, hydrolysis, and disulphide bond formation

    NARCIS (Netherlands)

    Bolder, S.G.; Vasbinder, A.; Sagis, L.M.C.; Linden, van der E.

    2007-01-01

    Fibril formation of individual pure whey proteins and whey protein isolate (WPI) was studied. The heat-induced conversion of WPI monomers into fibrils at pH 2 and low ionic strength increased with heating time and protein concentration. Previous studies, using a precipitation method, size-exclusion

  8. COMPARISON OF FATIGUE AND CREEP BEHAVIOR BETWEEN 2D AND 3D-C/SiC COMPOSITES

    Institute of Scientific and Technical Information of China (English)

    D. Han; S.R. Qiao; M. Li; J.T. Hou; X.J. Wu

    2004-01-01

    The differences of tension-tension fatigue and tensile creep characters of 2D-C/SiCand 3D-C/SiC composites have been scrutinized to meet the engineering needs. Experiments of tension-tension fatigue and tensile creep are carried out under vacuum high temperature condition. All of the high temperature fatigue curves are flat; the fatigue curves of the 2D-C/SiC are flatter and even parallel to the horizontal axis. While the tension-tension fatigue limit of the 3D-C/SiC is higher than that of the 2D-C/SiC, the fiber pullout length of the fatigue fracture surface of the 3D-C/SiC is longer than that of the 2D-C/SiC, and fracture morphology of the 3D-C/SiC is rougher, and pullout length of the fiber tows is longer. At the same time the 3D-C/SiC has higher tensile creep resistance. The tensile curve and the tensile creep curve of both materials consist of a series of flat step. These phenomena can be explained by the non-continuity of the damage.

  9. Tribological characteristics of C/C-SiC braking composites under dry and wet conditions

    Institute of Scientific and Technical Information of China (English)

    LI Zhuan; XIAO Peng; XIONG Xiang; ZHU Su-hua

    2008-01-01

    C/C-SiC braking composites, based on reinforcement of carbon fibers and rnatrices of carbon and silicon carbide, were fabricated by warm compaction and in situ reaction process. The tribological characteristics of C/C-SiC braking composites under dry and wet conditions were investigated by means of MM-1000 type of friction testing machine. The influence of dry and wet conditions on the tribological characteristics of the C/C-SiC composites was ascertained. Under dry condition, C/C-SiC braking composites show superior tribological characteristics, including high coefficient of friction (0.38), good abrasive resistance (thickness loss is 1.10 μm per cycle) and steady breaking. The main wear mechanism is plastic deformation and abrasion caused by plough. Under wet condition, frictional films form on the worn surface. The coefficient of friction (0.35) could maintain mostly, and the thickness loss (0.70 μm per cycle) reduces to a certain extent. Furthermore, braking curves are steady and adhesion and oxidation are the main wear mechanisms.

  10. Detection of Potential Induced Degradation in c-Si PV Panels Using Electrical Impedance Spectroscopy

    DEFF Research Database (Denmark)

    Oprea, Matei-lon; Spataru, Sergiu; Sera, Dezso;

    This work, for the first time, investigates an Impedance Spectroscopy (IS) based method for detecting potential-induced degradation (PID) in crystalline silicon photovoltaic (c-Si PV) panels. The method has been experimentally tested on a set of panels that were confirmed to be affected by PID by...

  11. Fabrication and Characteristics of an nc-Si/c-Si Heterojunction MOSFETs Pressure Sensor

    Directory of Open Access Journals (Sweden)

    Xiaofeng Zhao

    2012-05-01

    Full Text Available A novel nc-Si/c-Si heterojunction MOSFETs pressure sensor is proposed in this paper, with four p-MOSFETs with nc-Si/c-Si heterojunction as source and drain. The four p-MOSFETs are designed and fabricated on a square silicon membrane by CMOS process and MEMS technology where channel resistances of the four nc-Si/c-Si heterojunction MOSFETs form a Wheatstone bridge. When the additional pressure is P, the nc-Si/c-Si heterojunction MOSFETs pressure sensor can measure this additional pressure P. The experimental results show that when the supply voltage is 3 V, length-width (L:W ratio is 2:1, and the silicon membrane thickness is 75 μm, the full scale output voltage of the pressure sensor is 15.50 mV at room temperature, and pressure sensitivity is 0.097 mV/kPa. When the supply voltage and L:W ratio are the same as the above, and the silicon membrane thickness is 45 μm, the full scale output voltage is 43.05 mV, and pressure sensitivity is 2.153 mV/kPa. Therefore, the sensor has higher sensitivity and good temperature characteristics compared to the traditional piezoresistive pressure sensor.

  12. Simulation and Optimization of β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+) Heterojunction Solar Cells%β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+)异质结太阳能电池的模拟与优化

    Institute of Scientific and Technical Information of China (English)

    刘振芳; 刘淑平; 聂慧军

    2016-01-01

    运用AFORS-HET软件对β-FeSi2(n)/a-Si(i)/c-Si(p)/μc-Si(p+)HIT型异质结太阳能电池的性能进行了模拟,并对各层参数进行了优化.模拟结果表明,在FeSi2(n)/c-si(p)结构上加上本征层和背场,能显著地提高电池的性能.加入缺陷并优化各项参数后,电池的最后参数为VoC=647.7 mV,JSC=42.29 mA·cm-2,FF=75.32%,EFF=20.63%,β-FeSi2(n)/c-Si(p)太阳能电池的效率提高了2.3%.

  13. Flexible micromorph tandem a-Si/μc-Si solar cells

    Science.gov (United States)

    Söderström, T.; Haug, F.-J.; Terrazzoni-Daudrix, V.; Ballif, C.

    2010-01-01

    The deposition of a stack of amorphous (a-Si:H) and microcrystalline (μc-Si:H) tandem thin film silicon solar cells (micromorph) requires at least twice the time used for a single junction a-Si:H cell. However, micromorph devices have a higher potential efficiency, thanks to the broader absorption spectrum of μc-Si:H material. High efficiencies can only be achieved by mitigating the nanocracks in the μc-Si:H cell and the light-induced degradation of the a-Si:H cell. As a result, μc-Si:H cell has to grow on a smooth substrate with large periodicity (>1 μm) and the a-Si:H cell on sharp pyramids with smaller feature size (˜350 nm) to strongly scatter the light in the weak absorption spectra of a-Si:H material. The asymmetric intermediate reflector introduced in this work uncouples the growth and light scattering issues of the tandem micromorph solar cells. The stabilized efficiency of the tandem n-i-p/n-i-p micromorph is increased by a relative 15% compared to a cell without AIR and 32% in relative compared to an a-Si:H single junction solar cells. The overall process (T cell deposited on polyethylene-naphthalate plastic substrate is 9.8% after 1000 h of light soaking at Voc, 1 sun, and 50 °C.

  14. Microscopic surface structure of C/SiC composite mirrors for space cryogenic telescopes

    CERN Document Server

    Enya, Keigo; Kaneda, Hidehiro; Onaka, Takashi; Ozaki, Tuyoshi; Kume, Masami

    2007-01-01

    We report on the microscopic surface structure of carbon-fiber-reinforced silicon carbide (C/SiC) composite mirrors that have been improved for the Space Infrared Telescope for Cosmology and Astrophysics (SPICA) and other cooled telescopes. The C/SiC composite consists of carbon fiber, silicon carbide, and residual silicon. Specific microscopic structures are found on the surface of the bare C/SiC mirrors after polishing. These structures are considered to be caused by the different hardness of those materials. The roughness obtained for the bare mirrors is 20 nm rms for flat surfaces and 100 nm rms for curved surfaces. It was confirmed that a SiSiC slurry coating is effective in reducing the roughness to 2 nm rms. The scattering properties of the mirrors were measured at room temperature and also at 95 K. No significant change was found in the scattering properties through cooling, which suggests that the microscopic surface structure is stable with changes in temperature down to cryogenic values. The C/SiC ...

  15. Efficient Covalent Bond Formation in Gas-Phase Peptide-Peptide Ion Complexes with the Photoleucine Stapler

    Science.gov (United States)

    Shaffer, Christopher J.; Andrikopoulos, Prokopis C.; Řezáč, Jan; Rulíšek, Lubomír; Tureček, František

    2016-04-01

    Noncovalent complexes of hydrophobic peptides GLLLG and GLLLK with photoleucine (L*) tagged peptides G(L* n L m )K (n = 1,3, m = 2,0) were generated as singly charged ions in the gas phase and probed by photodissociation at 355 nm. Carbene intermediates produced by photodissociative loss of N2 from the L* diazirine rings underwent insertion into X-H bonds of the target peptide moiety, forming covalent adducts with yields reaching 30%. Gas-phase sequencing of the covalent adducts revealed preferred bond formation at the C-terminal residue of the target peptide. Site-selective carbene insertion was achieved by placing the L* residue in different positions along the photopeptide chain, and the residues in the target peptide undergoing carbene insertion were identified by gas-phase ion sequencing that was aided by specific 13C labeling. Density functional theory calculations indicated that noncovalent binding to GL*L*L*K resulted in substantial changes of the (GLLLK + H)+ ground state conformation. The peptide moieties in [GL*L*LK + GLLLK + H]+ ion complexes were held together by hydrogen bonds, whereas dispersion interactions of the nonpolar groups were only secondary in ground-state 0 K structures. Born-Oppenheimer molecular dynamics for 100 ps trajectories of several different conformers at the 310 K laboratory temperature showed that noncovalent complexes developed multiple, residue-specific contacts between the diazirine carbons and GLLLK residues. The calculations pointed to the substantial fluidity of the nonpolar side chains in the complexes. Diazirine photochemistry in combination with Born-Oppenheimer molecular dynamics is a promising tool for investigations of peptide-peptide ion interactions in the gas phase.

  16. Interface microstructure and formation mechanism of diffusion-bonded joints of TiAl to steel 40Cr

    Institute of Scientific and Technical Information of China (English)

    何鹏; 冯吉才; 张炳刚; 钱乙余

    2002-01-01

    TiAl intermetallics was diffusion bonded to steel 40Cr in vacuum furnace. The results show that at the TiAl-40Cr interface the mixture reaction layer of Ti3Al+FeAl+FeAl2 is formed close to the TiAl base, TiC layer is formed in the middle and obvious decarbonized layer is formed closest to the steel 40Cr side. The whole reaction process can be divided into three stages. In the first stage, TiC layer is formed at the interface TiAl/40Cr, as well, decarbonized layer occurs on the steel 40Cr side. In the second stage, TiAl, FeAl2 and FeAl are formed adjacent to TiAl, in the mean, the continuous diffusion of Al atoms from TiAl to 40Cr gives rise to the formation of Ti3Al. In the last stage, the thickness of each reaction layer increases with bonding time according to a parabolic law. The growth energy Q and the growth velocity K0 of reaction layer Ti3Al+FeAl+FeAl2+TiC in the diffusion-bonded joints of the TiAl base alloy to steel 40Cr are 203.017kJ/mol and 6.074mm2/s, respectively, and the growth formula (thickness of reaction layer) is y2=6.074×10-6exp(-203017.48/RT)t. By virtue of this formula, the growth of reaction layer Ti3Al+FeAl+FeAl2+TiC can be presetted and controlled.

  17. Chemical compatibility issues associated with use of SiC/SiC in advanced reactor concepts

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Dane F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-01

    Silicon carbide/silicon carbide (SiC/SiC) composites are of interest for components that will experience high radiation fields in the High Temperature Gas Cooled Reactor (HTGR), the Very High Temperature Reactor (VHTR), the Sodium Fast Reactor (SFR), or the Fluoride-cooled High-temperature Reactor (FHR). In all of the reactor systems considered, reactions of SiC/SiC composites with the constituents of the coolant determine suitability of materials of construction. The material of interest is nuclear grade SiC/SiC composites, which consist of a SiC matrix [high-purity, chemical vapor deposition (CVD) SiC or liquid phase-sintered SiC that is crystalline beta-phase SiC containing small amounts of alumina-yttria impurity], a pyrolytic carbon interphase, and somewhat impure yet crystalline beta-phase SiC fibers. The interphase and fiber components may or may not be exposed, at least initially, to the reactor coolant. The chemical compatibility of SiC/SiC composites in the three reactor environments is highly dependent on thermodynamic stability with the pure coolant, and on reactions with impurities present in the environment including any ingress of oxygen and moisture. In general, there is a dearth of information on the performance of SiC in these environments. While there is little to no excess Si present in the new SiC/SiC composites, the reaction of Si with O2 cannot be ignored, especially for the FHR, in which environment the product, SiO2, can be readily removed by the fluoride salt. In all systems, reaction of the carbon interphase layer with oxygen is possible especially under abnormal conditions such as loss of coolant (resulting in increased temperature), and air and/ or steam ingress. A global outline of an approach to resolving SiC/SiC chemical compatibility concerns with the environments of the three reactors is presented along with ideas to quickly determine the baseline compatibility performance of SiC/SiC.

  18. Proton transfer in hydrogen-bonded network of phenol molecules: intracluster formation of water.

    Science.gov (United States)

    Lengyel, Jozef; Gorejová, Radka; Herman, Zdeněk; Fárník, Michal

    2013-11-01

    Electron ionization and time-of-flight mass spectrometry was used to investigate the phenol clusters (PhOH)n of different size from single molecule to large clusters: in coexpansion with He, the dimers n = 2 are mostly generated; in Ar, large species of n ≥ 10 also occur. Besides [(PhOH)n](+•) cluster ion series, hydrated phenol cluster ions [(PhOH)n·xH2O](+•) with up to x = 3 water molecules and dehydrated phenol clusters [(PhOH)n-H2O](+•) were observed. The hydrated phenol series exhibits minima and maxima that are interpreted as evidence for proton transfer between the hydrogen bonded cluster ions of cyclic structures. The proton transfer leads to a water generation within the clusters, and subsequent elimination of the diphenyl ether molecule(s) from the cluster yields the hydrated phenol cluster ions. Alternatively, a water molecule release yields a series of dehydrated phenols, among which the diphenyl ether ion [PhOPh](+•) (n = 2) constitutes the maximum.

  19. Synthesis of mid-dicarboxy polystyrene by ATRP and formation of ionic-bonded supramolecules

    Institute of Scientific and Technical Information of China (English)

    YU Tao; WANG Yun; LU Dairen; BAI Ruke; LU Weiqi

    2007-01-01

    Dimethyl 4,6-bis(bromomethyl) isophthalate was synthesized by bromomethylation,oxidation,esterification and bromination of 1,3-dimethylbenzene.This was used to initiate the atom transfer radical polymerization of styrene successfully.Results showed that the process had some of the good characteristics of controlled/living free radical polymerization.The molecular weight of the obtained polymer increased linearly with monomer conversion,its molecular weight distribution was very narrow,and a linear relationship between ln([M]0/[M]) and polymerization time was found.A well-defined novel structural polystyrene containing two ester groups in the mid-main chain was prepared with controlled molecular weight and narrow polydispersity.The structure of the polymer was confirmed by 1H-NMR spectra.After being hydrolyzed,dicarboxy polystyrene was obtained and used to form ionic-bonded supramolecules with 1-dodecanamine as a model of the star-shaped supramolecules.The supramolecules formed were characterized by Fourier transform infrared (FTIR) spectrum.

  20. Polymer GARD: computer simulation of covalent bond formation in reproducing molecular assemblies.

    Science.gov (United States)

    Shenhav, Barak; Bar-Even, Arren; Kafri, Ran; Lancet, Doron

    2005-04-01

    The basic Graded Autocatalysis Replication Domain (GARD) model consists of a repertoire of small molecules, typically amphiphiles, which join and leave a non-covalent micelle-like assembly. Its replication behavior is due to occasional fission, followed by a homeostatic growth process governed by the assembly's composition. Limitations of the basic GARD model are its small finite molecular repertoire and the lack of a clear path from a 'monomer world' towards polymer-based living entities. We have now devised an extension of the model (polymer GARD or P-GARD), where a monomer-based GARD serves as a 'scaffold' for oligomer formation, as a result of internal chemical rules. We tested this concept with computer simulations of a simple case of monovalent monomers, whereby more complex molecules (dimers) are formed internally, in a manner resembling biosynthetic metabolism. We have observed events of dimer 'take-over' - the formation of compositionally stable, replication-prone quasi stationary states (composomes) that have appreciable dimer content. The appearance of novel metabolism-like networks obeys a time-dependent power law, reminiscent of evolution under punctuated equilibrium. A simulation under constant population conditions shows the dynamics of takeover and extinction of different composomes, leading to the generation of different population distributions. The P-GARD model offers a scenario whereby biopolymer formation may be a result of rather than a prerequisite for early life-like processes. PMID:16010993

  1. Polymer Gard: Computer Simulation of Covalent Bond Formation in Reproducing Molecular Assemblies

    Science.gov (United States)

    Shenhav, Barak; Bar-Even, Arren; Kafri, Ran; Lancet, Doron

    2005-04-01

    The basic Graded Autocatalysis Replication Domain (GARD) model consists of a repertoire of small molecules, typically amphiphiles, which join and leave a non-covalent micelle-like assembly. Its replication behavior is due to occasional fission, followed by a homeostatic growth process governed by the assembly’ s composition. Limitations of the basic GARD model are its small finite molecular repertoire and the lack of a clear path from a ‘monomer world’ towards polymer-based living entities.We have now devised an extension of the model (polymer GARD or P-GARD), where a monomer-based GARD serves as a ‘scaffold’ for oligomer formation, as a result of internal chemical rules. We tested this concept with computer simulations of a simple case of monovalent monomers, whereby more complex molecules (dimers) are formed internally, in a manner resembling biosynthetic metabolism. We have observed events of dimer ‘take-over’ the formation of compositionally stable, replication-prone quasi stationary states (composomes) that have appreciable dimer content. The appearance of novel metabolism-like networks obeys a time-dependent power law, reminiscent of evolution under punctuated equilibrium. A simulation under constant population conditions shows the dynamics of takeover and extinction of different composomes, leading to the generation of different population distributions. The P-GARD model offers a scenario whereby biopolymer formation may be a result of rather than a prerequisite for early life-like processes.

  2. Interface structure and formation mechanism of diffusion-bonded joints of TiAl-based alloy to titanium alloy

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Vacuum diffusion bonding of a TiAl-based alloy (TAD) to a titanium alloy (TC2) was carried out at 1 273 K for 15~120 min under a pressure of 25 MPa. The kinds of the reaction products and the interface structures of the joints were investigated by SEM, EPMA and XRD. Based on this, a formation mechanism of the interface structure was elucidated. Experimental and analytical results show that two reaction layers have formed during the diffusion bonding of TAD to TC2. One is Al-rich α(Ti)layer adjacent to TC2,and the other is (Ti3Al+TiAl)layer adjacent to TAD,thus the interface structure of the TAD/TC2 joints is TAD/(Ti3Al+TiAl)/α(Ti)/TC2.This interface structure forms according to a three-stage mechanism,namely(a)the occurrence of a single-phase α(Ti)layer;(b)the occurrence of a duplex-phase(Ti3Al+TiAl)layer;and(c)the growth of the α(Ti)and (Ti3Al+TiAl)layers.

  3. Synthesis of Hybrid SiC/SiO2 Nanoparticles and Their Polymer Nanocomposites

    Science.gov (United States)

    Hassan, Tarig A.; Rangari, Vijaya K.; Baker, Fredric; Jeelani, Shaik

    2013-04-01

    In the present investigation, silicon carbide (β-SiC) nanoparticles ( 30 nm) were coated on silicon dioxide (SiO2) nanoparticles ( 200 nm) using sonochemical method. The resultant hybrid nanoparticles were then infused into SC-15 epoxy resin to enhance the thermal and mechanical properties of SC-15 epoxy for structural application. To fabricate an epoxy-based nanocomposite containing SiC/SiO2 hybrid nanoparticles, we have opted a two-step process. In the first step, the silica nanoparticles were coated with SiC nanoparticles using high intensity ultrasonic irradiation. In a second step, 1 wt.% of as-prepared SiC/SiO2 particles were dispersed in epoxy part-A (diglycidylether of bisphenol A) using a high intensity ultrasound for 30 min at 5°C. The part-B (cycloaliphatic amine hardener) of the epoxy was then mixed with part-A-SiC/SiO2 mixture using a high-speed mechanical stirrer for 10 min. The SiC/SiO2/epoxy resin mixture was cured at room temperature for 24 h. The SiC nanoparticles coating on SiO2 was characterized using X-ray diffraction (XRD) and high resolution transmission electron microscope (TEM). The as-prepared nanocomposite samples were characterized using thermo gravimetric analysis (TGA) and differential scanning calorimeter (DSC). Compression tests have been carried out for both nanocomposite and neat epoxy systems. The results indicated that 1 wt.% (SiC) + (SiO2) loading derived improvements in both thermal and mechanical properties when compared to the neat epoxy system.

  4. Laminated biomorphous SiC/Si porous ceramics made from wood veneer

    International Nuclear Information System (INIS)

    Graphical abstract: Biomorphous SiC/Si porous ceramics has a clearly laminated structure, its micropore range from 1-10 μm which retain the wood's native characteristics. Retreatment process is a key factor which influence the free silicon content in the composites and lead to affect the basic characteristic. Crack deflection occur in the flaws, pores and weak interfaces, these allow continuous add loads and show progressive failure behavior: a step-like load-displacement response, it has high fracture toughness. Highlights: → Laminated SiC/Si porous ceramics make from wood veneer and Si with a bionic design. → It has laminated structure, and still retains wood's biomorphous characterization. → Its excellent mechanical strength connects with laminated and biological structure. → Nobody discussed this material before. -- Abstract: Biomorphous SiC/Si porous ceramics with laminated structure are prepared from beech veneer and phenolic resin. The preparation involves carbonization under vacuum and reaction with melted silicon to obtain the biomorphous carbide template. X-ray diffraction confirms that the biomorphous SiC/Si porous ceramics are mainly composed of β-SiC, free silicon and residual carbon. Scanning election microscopy observations indicate a laminated structure and 1-10 μm microporous structures, which suggest retention of the native characteristics of the wood. This paper examines mechanical properties of the final composite in relation to the lamination, porous structure, and free silicon content. The bending strength of the ceramics decreases as the apparent porosity increases. The fracture toughness increases initially with apparent density and then decreases. The fracture toughness load-displacement curve presents a step-like pattern, which suggests that the laminated SiC/Si porous ceramics have high fracture toughness.

  5. Design requirements for SiC/SiC composites structural material in fusion power reactor blankets

    International Nuclear Information System (INIS)

    This paper recalls the main features of the TAURO blanket, a self-cooled Pb-17Li concept using SiC/SiC composites as structural material, developed for FPR. The objective of this design activity is to compare the characteristics of present-day industrial SiC-SiC composites with those required for a fusion power reactor blanket (FPR) and to evaluate the main needs of further R and D. The performed analyses indicated that the TAURO blanket would need the availability of SiC/SiC composites approximately 10 mm thick with a thermal conductivity through the thickness of approximately 15 Wm-1K-1 at 1000 C and a low electrical conductivity. A preliminary MHD analysis has indicated that the electrical conductivity should not be greater than 500 Ω-1m-1. Irradiation effects should be included in these figures. Under these conditions, the calculated pressure drop due to the high Pb-17Li velocity (approximately 1 m s-1) is much lower then 0.1 MPa. The characteristics and data base of the recently developed 3D-SiC/SiC composite, Cerasep trademark N3-1, are reported and discussed in relation to the identified blanket design requirements. The progress on joining techniques is briefly reported. For the time being, the best results have been obtained using Si-based brazing systems initially developed for SiC ceramics and whose major issue is the higher porosity of the SiC/SiC composites. (orig.)

  6. 3C-SiC nanocrystal growth on 10° miscut Si(001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Deokar, Geetanjali, E-mail: gitudeo@gmail.com [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); D' Angelo, Marie; Demaille, Dominique [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); Cavellin, Catherine Deville [INSP, UPMC, CNRS UMR 7588, 4 place Jussieu, Paris F-75005 (France); Faculté des Sciences et Technologie UPEC, 61 av. De Gaulle, Créteil F-94010 (France)

    2014-04-01

    The growth of 3C-SiC nano-crystal (NC) on 10° miscut Si(001) substrate by CO{sub 2} thermal treatment is investigated by scanning and high resolution transmission electron microscopies. The vicinal Si(001) surface was thermally oxidized prior to the annealing at 1100 °C under CO{sub 2} atmosphere. The influence of the atomic steps at the vicinal SiO{sub 2}/Si interface on the SiC NC growth is studied by comparison with the results obtained for fundamental Si(001) substrates in the same conditions. For Si miscut substrate, a substantial enhancement in the density of the SiC NCs and a tendency of preferential alignment of them along the atomic step edges is observed. The SiC/Si interface is abrupt, without any steps and epitaxial growth with full relaxation of 3C-SiC occurs by domain matching epitaxy. The CO{sub 2} pressure and annealing time effect on NC growth is analyzed. The as-prepared SiC NCs can be engineered further for potential application in optoelectronic devices and/or as a seed for homoepitaxial SiC or heteroepitaxial GaN film growth. - Highlights: • Synthesis of 3C-SiC nanocrystals epitaxied on miscut-Si using a simple technique • Evidence of domain matching epitaxy at the SiC/Si interface • SiC growth proceeds along the (001) plane of host Si. • Substantial enhancement of the SiC nanocrystal density due to the miscut • Effect of the process parameters (CO{sub 2} pressure and annealing duration)

  7. Effects of the gas feeding method on the properties of 3C-SiC/Si(111) grown by rapid thermal chemical vapor deposition

    CERN Document Server

    Shim, H W; Suh, E K

    1998-01-01

    High-quality crystalline 3C-SiC thin films are grown by rapid thermal chemical vapor deposition (RTCVD) on Si(111) by using two different growth processes. The films are grown along the [111] direction at 1200 .deg. C. The quality of the films are investigated by X-ray diffraction, transmission electron microscopy, and transmission electron diffraction. The SiC film grown by flowing the tetramethylsilane (TMS) gas before heating the substrate up to the growth temperature does not contain many voids at the SiC/Si interface, while the SiC grown by heating the substrate before supplying the TMS gas possesses many voids at the interface. The unintentionally doped SiC film grown by gas flow before heating the substrate appears to be n-type with a carrier concentration of 1.48 x 10 sup 1 sup 6 cm sup - sup 3 , a electron mobility of 884 cm sup 2 /V centre dot s, and a resistivity of 0.462 OMEGA centre dot cm. The physical properties, such as the electrical properties, the surface morphology, and the crystallinity, ...

  8. Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.

    Science.gov (United States)

    Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao

    2016-08-01

    Copper-catalyzed directed decarboxylative amination of nonactivated aliphatic carboxylic acids is described. This intramolecular C-N bond formation reaction provides efficient access to the synthesis of pyrrolidine and piperidine derivatives as well as the modification of complex natural products. Moreover, this reaction presents excellent site-selectivity in the C-N bond formation step through the use of directing group. Our work can be considered as a big step toward controllable radical decarboxylative carbon-heteroatom cross-coupling. PMID:27439145

  9. Methods of radiation effects evaluation of SiC/SiC composite and SiC fibers

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, G.E.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    This report covers material presented at the IEA/Jupiter Joint International Workshop on SiC/SiC Composites for Fusion structural Applications held in conjunction with ICFRM-8, Sendai, Japan, Oct. 23--24, 1997. Several methods for radiation effects evaluation of SiC fibers and fiber-reinforced SiC/SiC composite are presented.

  10. Dispersion-corrected first-principles calculation of terahertz vibration, and evidence for weak hydrogen bond formation

    Science.gov (United States)

    Takahashi, Masae; Ishikawa, Yoichi; Ito, Hiromasa

    2013-03-01

    A weak hydrogen bond (WHB) such as CH-O is very important for the structure, function, and dynamics in a chemical and biological system WHB stretching vibration is in a terahertz (THz) frequency region Very recently, the reasonable performance of dispersion-corrected first-principles to WHB has been proven. In this lecture, we report dispersion-corrected first-principles calculation of the vibrational absorption of some organic crystals, and low-temperature THz spectral measurement, in order to clarify WHB stretching vibration. The THz frequency calculation of a WHB crystal has extremely improved by dispersion correction. Moreover, the discrepancy in frequency between an experiment and calculation and is 10 1/cm or less. Dispersion correction is especially effective for intermolecular mode. The very sharp peak appearing at 4 K is assigned to the intermolecular translational mode that corresponds to WHB stretching vibration. It is difficult to detect and control the WHB formation in a crystal because the binding energy is very small. With the help of the latest intense development of experimental and theoretical technique and its careful use, we reveal solid-state WHB stretching vibration as evidence for the WHB formation that differs in respective WHB networks The research was supported by the Ministry of Education, Culture, Sports, Science and Technology of Japan (Grant No. 22550003).

  11. Mineral catalysis of the formation of the phosphodiester bond in aqueous solution - The possible role of montmorillonite clays

    Science.gov (United States)

    Ferris, James P.; Ertem, Gozen; KAMALUDDIN; Agarwal, Vipin; Hua, Lu Lin

    1989-01-01

    The possible role of montmorillonite clays in the spontaneous formation on the primitive earth of the phosphodiester bond in the presence of water was investigated in experiments measuring the binding of various nucleosides and nucleotides with Na(+)-montmorillonite 22A and the reactions of these compounds with a water-soluble carbodiimide. It was found that, at neutral pH, adenine derivatives bind stronger than the corresponding uracil derivatives, consistent with the protonation of the adenine by the acidic clay surface and a cationic binding of the protonated ring to the anionic clay surface. The reaction of the 5-prime-AMP with carbodiimide resulted in the formation of 2-prime,5-prime-pApA (18.9 percent), 3-prime,5-prime-pApA (11 percent), and AppA (4.8 percent). The yields of these oligomers obtained when poly(U) was used in place of the clay were 15.5 percent, 3.7 percent, and 14.9 percent AppA, respectively.

  12. Structural Control of Nonadiabatic Photochemical Bond Formation: Photocyclization in Structurally Modified ortho-Terphenyls.

    Science.gov (United States)

    Molloy, Molly S; Snyder, Joshua A; DeFrancisco, Justin R; Bragg, Arthur E

    2016-06-16

    Understanding how molecular structure impacts the shapes of potential energy surfaces and prospects for nonadiabatic photochemical dynamics is critical for predicting and controlling the chemistry of molecular excited states. Ultrafast transient absorption spectroscopy was used to interrogate photoinduced, nonadiabatic 6π cyclization of a collection of ortho-terphenyls (OTP) modified with alkyl substituents of different sizes and electron-donating/withdrawing character positioned on its central and pendant phenyl rings. OTP alkylated at the 4,4″ and 4',5' positions of the pendant and central rings, respectively, exhibiting biphasic excited-state relaxation; this is qualitatively similar to relaxation of OTP itself, including a fast decrease in excited-state absorption (τ1 = 1-4 ps) followed by formation of metastable cyclized photoproducts (τ2 = 3-47 ps) that share common characteristic spectroscopic features for all substitutions despite variations in chemical nature of the substituents. By contrast, anomalous excited-state dynamics are observed for 3',6'dimethyl-OTP, in which the methyl substituents crowd the pendant rings sterically; time-resolved spectral dynamics and low photochemical reactivity with iodine reveal that methylation proximal to the pendant rings impedes nonadiabatic cyclization. Results from transient measurements and quantum-chemical calculations are used to decipher the nature of excited state relaxation mechanisms in these systems and how they are perturbed by mechanical, electronic, and steric interactions induced by substituents. PMID:27171560

  13. The synthesis of size-controlled 3C-SiC nanoflakes and their photoluminescent properties

    Science.gov (United States)

    Fan, Xiujun; Ye, Ruquan; Peng, Zhiwei; Wang, Juanjuan; Fan, Ailing; Guo, Xia

    2016-06-01

    Size-controlled and high-purity 3C-SiC nanoflakes (NFs) are synthesized on the tips of vertically aligned carbon nanotube (VA-CNT) carpets with a hot-filament chemical vapor deposition (HF-CVD) method. The average diameter and height of SiC NFs can be tuned by changing the thickness of per-deposited Si and growth conditions. The growth process of the SiC NFs is suggested to be dominated by a vapor–solid (VS) mechanism. The prepared SiC NFs exhibit quantum-confinement effects, emitting strong violet-blue photoluminescence (PL) under ultraviolet excitation. The PL peak position changes from 410 to 416 nm as the excitation line increases from 290 to 400 nm. This result opens the possibility for the application of the luminescent solid-state freestanding 3C-SiC NFs in photonics as well as photonics/electronics integration.

  14. Investigation of the chemical interaction in the TiC-Si3N4 system

    Directory of Open Access Journals (Sweden)

    V.A. Izhevskyi

    1999-10-01

    Full Text Available Chemical interaction in the TiCSi3N4 system was investigated. Thermodynamic calculations and kinetic analysis were carried out for a number of powder mixtures with various TiC:Si3N4 molar ratios in the temperature range 1300-1750 °C. Stability regions of the TiC-Si3N4 composites were defined. It was shown that the main reaction products are silicon carbide and titanium carbonitride. The overall chemical interaction is described in terms of chemical reaction between titanium carbide and silicon nitride, and the diffusion of carbon and nitrogen through the coherent reaction products layer after completion of the initial direct interaction of the components.

  15. Current Status and Recent Research Achievements in SiC/SiC Composites

    Energy Technology Data Exchange (ETDEWEB)

    Katoh, Yutai; Snead, Lance L.; Henager, Charles H.; Nozawa, T.; Hinoki, Tetsuya; Ivekovic, Aljaz; Novak, Sasa; Gonzalez de Vicente, Sehila M.

    2014-12-01

    The development and maturation of the silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen the evolution from fundamental development and understanding of the material system and its behavior in a hostile irradiation environment to the current effort which essentially is a broad-based program of technology, directed at moving this material class from a laboratory curiosity to an engineering material. This paper lays out the recent international scientific and technological achievements in the development of SiC/SiC composite material technologies for fusion application and will discuss future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and for general engineering applications.

  16. Current status and recent research achievements in SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Katoh, Y., E-mail: katohy@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Snead, L.L. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Henager, C.H. [Pacific Northwest National Laboratory, Richland, WA (United States); Nozawa, T. [Japan Atomic Energy Agency, Rokkasho, Aomori (Japan); Hinoki, T. [Institute of Advanced Energy, Kyoto University, Kyoto (Japan); Iveković, A.; Novak, S. [Jožef Stefan Institute, Ljubljana (Slovenia); Gonzalez de Vicente, S.M. [EFDA Close Support Unit, Garching (Germany)

    2014-12-15

    The silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen a continual evolution from development a fundamental understanding of the material system and its behavior in a hostile irradiation environment to the current effort which is directed at a broad-based program of technology maturation program. In essence, over the past few decades this material system has steadily moved from a laboratory curiosity to an engineering material, both for fusion structural applications and other high performance application such as aerospace. This paper outlines the recent international scientific and technological achievements towards the development of SiC/SiC composite material technologies for fusion application and discusses future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and broader engineering applications.

  17. Hot pressing of B{sub 4}C/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Sahin, F.C.; Turhan, E.; Yesilcubuk, S.A.; Addemir, O. [Ystanbul Technical University, Faculty of Chemistry and Metallurgy, Materials and Metallurgical Engineering Dept., Maslak-Ystanbul (Turkey)

    2005-07-01

    B{sub 4}C/SiC ceramic composites containing 10-20-30 vol % SiC were prepared by hot pressing method. The effect of SiC addition and hot pressing temperature on sintering behaviour and mechanical properties of hot pressed composites were investigated. Microstructures of hot pressed samples were examined by SEM technique. Three different temperatures (2100 deg. C, 2200 deg. C and 2250 deg. C) were used to optimize hot pressing temperature applying 100 MPa pressure under argon atmosphere during the sintering procedure. The highest relative density of 98.44 % was obtained by hot pressing at 2250 deg. C. However, bending strengths of B{sub 4}C/SiC composite samples were lower than monolithic B{sub 4}C in all experimental conditions. (authors)

  18. Current status and recent research achievements in SiC/SiC composites

    International Nuclear Information System (INIS)

    The silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen a continual evolution from development a fundamental understanding of the material system and its behavior in a hostile irradiation environment to the current effort which is directed at a broad-based program of technology maturation program. In essence, over the past few decades this material system has steadily moved from a laboratory curiosity to an engineering material, both for fusion structural applications and other high performance application such as aerospace. This paper outlines the recent international scientific and technological achievements towards the development of SiC/SiC composite material technologies for fusion application and discusses future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and broader engineering applications

  19. Current status and recent research achievements in SiC/SiC composites

    Science.gov (United States)

    Katoh, Y.; Snead, L. L.; Henager, C. H.; Nozawa, T.; Hinoki, T.; Iveković, A.; Novak, S.; Gonzalez de Vicente, S. M.

    2014-12-01

    The silicon carbide fiber-reinforced silicon carbide matrix (SiC/SiC) composite system for fusion applications has seen a continual evolution from development a fundamental understanding of the material system and its behavior in a hostile irradiation environment to the current effort which is directed at a broad-based program of technology maturation program. In essence, over the past few decades this material system has steadily moved from a laboratory curiosity to an engineering material, both for fusion structural applications and other high performance application such as aerospace. This paper outlines the recent international scientific and technological achievements towards the development of SiC/SiC composite material technologies for fusion application and discusses future research directions. It also reviews the materials system in the larger context of progress to maturity as an engineering material for both the larger nuclear community and broader engineering applications.

  20. Architectural Effects on Impact Resistance of Uncoated MI SiC/SiC Composites

    Science.gov (United States)

    Bhatt, R. T.; Cosgriff, L. M.; Fox, D. S.

    2009-01-01

    Impact tests were conducted on uncoated 2D and 2.5D MI SiC/SiC composite specimens at room temperature and 1316 C in air. The specimens were analyzed before and after impact using optical microscopy, pulsed thermography (PT) and computed tomography (CT). Preliminary results indicate the following. Both 2-D and 2.5D composites show increase in surface and volumetric damages with increasing impact velocity. However, 2-D composites are prone to delamination cracks. In both 2D and 2.5D composites, the magnitude of impact damage at a fixed impact velocity is slightly greater at room temperature than at 1315 C. At a fixed projectile velocity and test temperature, the depth of penetration of the projectile into the substrate is significantly lower in 2.5D composites than in 2D composites. Fiber architecture plays a significant role controlling impact damage in MI SiC/SiC composites.

  1. Enthalpy of formation of anisole: implications for the controversy on the O-H bond dissociation enthalpy in phenol.

    Science.gov (United States)

    Simões, Ricardo G; Agapito, Filipe; Diogo, Hermínio P; da Piedade, Manuel E Minas

    2014-11-20

    Significant discrepancies in the literature data for the enthalpy of formation of gaseous anisole, ΔfHmo(PhOCH3, g), have fueled an ongoing controversy regarding the most reliable enthalpy of formation of the phenoxy radical and of the gas phase O-H bond dissociation enthalpy, DHo(PhO-H), in phenol. In the present work ΔfHmo(PhOCH3, g) was reassessed using a combination of calorimetric determinations and high-level (W2-F12) ab initio calculations. Static-bomb combustion calorimetry led to the standard molar enthalpy of formation of liquid anisole at 298.15 K, ΔfHmo(PhOCH3, l) = −(117.1 ± 1.4) kJ·mol(-1). The corresponding enthalpy of vaporization was obtained as, ΔvapHmo(PhOCH3) = 46.41 ± 0.26 kJ·mol(-1), by Calvet-drop microcalorimetry. These results give ΔfHmo(PhOCH3, g) = −(70.7 ± 1.4) kJ·mol(-1), in excellent agreement with ΔfHmo(PhOCH3, g) = −(70.8 ± 3.2) kJ·mol(-1), obtained from the W2-F12 calculations. The ΔfHmo(PhOCH3, g) here recommended leads to ΔfHmo(PhO•, g) = 55.5 ± 2.4 kJ·mol(-)1 and DH°(PhO-H) = 368.1 ± 2.6 kJ·mol(-1).

  2. Identification of defects at the interface between 3C-SiC quantum dots and a SiO{sub 2} embedding matrix

    Energy Technology Data Exchange (ETDEWEB)

    Voeroes, Marton [Department of Atomic Physics, Budapest University of Technology Economics, Budapest (Hungary); Gali, Adam [Department of Atomic Physics, Budapest University of Technology Economics, Budapest (Hungary); Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, Budapest (Hungary); Kaxiras, Efthimios [Department of Physics, Harvard University, Cambride, MA (United States); Frauenheim, Thomas [Bremen Center for Computational Materials Science, University of Bremen (Germany); Knaup, Jan M. [Department of Physics, Harvard University, Cambride, MA (United States); Bremen Center for Computational Materials Science, University of Bremen (Germany)

    2012-02-15

    Due to the favorable band offsets, SiC nanoparticles embedded in silica form a very interesting quantum dot (QD) system. It is possible to produce such QDs in a simple oxidation-carbonization-reoxidation process on Si wafers. This could thus enable production of Si based LED integrated into Si logic devices. However, the luminescence of these QDs, is quenched. This is attributed to defect-mediated recombination of electron-hole pairs, most probably at the SiC/SiO{sub 2} interface. We present tight-binding simulated annealing calculations, in order to construct models of SiC QDs in SiO{sub 2}, with the aim of obtaining an overview of the possible defects at the SiC/SiO{sub 2} interface. We identify a number of recurring interface defects which can be attributed to C or Si rich conditions or general lattice mismatch relaxation. Similar to defects have been shown to be electrically active at the SiC/SiO{sub 2} interface in MOS structures. We find evidence for strained Si-Si bonds, which can act as recombination centers in isolated SiC QDs. The defect classes identified in this work can serve as the basis for future, high precision simulations of their electronic structure. A 66-atom spherical SiC nanocrystal with a shell of SiO{sub 2} including -OH termination (66-sph-1 cluster, only QM zone shown; cf. Fig. 2 for key). (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Design of a creep experiment for SiC/SiC composites in HFIR

    Energy Technology Data Exchange (ETDEWEB)

    Hecht, S.L.; Hamilton, M.L.; Jones, R.H. [and others

    1997-08-01

    A new specimen was designed for performing in-reactor creep tests on composite materials, specifically on SiC/SiC composites. The design was tailored for irradiation at 800{degrees}C in a HFIR RB position. The specimen comprises a composite cylinder loaded by a pressurized internal bladder that is made of Nb1Zr. The experiment was designed for approximately a one year irradiation.

  4. Micromechanical modeling of the elastic behavior of unidirectional CVI SiC/SiC composites

    OpenAIRE

    CHATEAU, Camille; GELEBART, Lionel; Bornert, Michel; CREPIN, Jérôme

    2015-01-01

    The elastic behavior of SiC/SiC composite is investigated at the scale of the tow through a micromechanical modeling taking into account the heterogeneous nature of the microstructure. The paper focuses on the sensitivity of transverse properties to the residual porosity resulting from the matrix infiltration process. The full analysis is presented stepwise, starting from the microstructural characterization to the study of the impact of pore shape and volume fraction. Various Volume Elements...

  5. Improved PEDOT:PSS/c-Si hybrid solar cell using inverted structure and effective passivation

    Science.gov (United States)

    Zhang, Xisheng; Yang, Dong; Yang, Zhou; Guo, Xiaojia; Liu, Bin; Ren, Xiaodong; Liu, Shengzhong (Frank)

    2016-10-01

    The PEDOT:PSS is often used as the window layer in the normal structured PEDOT:PSS/c-Si hybrid solar cell (HSC), leading to significantly reduced response, especially in red and near-infrared region. By depositing the PEDOT:PSS on the rear side of the c-Si wafer, we developed an inverted structured HSC with much higher solar cell response in the red and near-infrared spectrum. Passivating the other side with hydrogenated amorphous silicon (a-Si:H) before electrode deposition, the minority carrier lifetime has been significantly increased and the power conversion efficiency (PCE) of the inverted HSC is improved to as high as 16.1% with an open-circuit voltage (Voc) of 634 mV, fill factor (FF) of 70.5%, and short-circuit current density (Jsc) of 36.2 mA cm‑2, an improvement of 33% over the control device. The improvements are ascribed to inverted configuration and a-Si:H passivation, which can increase photon carrier generation and reduce carrier recombination, respectively. Both of them will benefit the photovoltaic performance and should be considered as effective design strategies to improve the performance of organic/c-Si HSCs.

  6. Advanced SiC fibers and SiC/SiC composites toward industrialization

    International Nuclear Information System (INIS)

    In order to establish the industrialization basis of advanced SiC fibers and SiC/SiC composites to be used in nuclear fusion reactors, R and D of Tyranno-SA grade fibers (Cef-NITETM) and NITE-SiC/SiC with sufficient quality control has been carried out. The important elements in this effort are fiber structure control and matrix density and homogeneity control. From the continuous heat treatments of pre-crystallized SiC fibers, the improved uniformity of grain size for radial position in 7-10 μm diameter SiC fibers has been confirmed with the fiber strength over 2.0 GPa. In order to establish stable mass production of NITE-SiC/SiC (Cera-NITETM), with sufficient quality control, efforts on production of mid-products, such as green sheets, prepreg sheets and preforms, have been extensively carried out. The important elements were to improve the homogeneity and density of preform so that the following sintering process has been modified for improving structure control.

  7. Effect of surface morphology and densification on the infrared emissivity of C/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Fuyuan, E-mail: wangfy1986@gmail.com; Cheng, Laifei; Zhang, Qing, E-mail: zhangqing@nwpu.edu.cn; Zhang, Litong

    2014-09-15

    Highlights: • The cauliflower-like microstructure improved the infrared emissivity multiply. • The infrared emissivity decreased continually with the improving surface flatness. • The densification process boosted the infrared emissivity. - Abstract: The effects of surface morphology and densification on the infrared emissivity of 2D C/SiC composites were investigated in 6–16 μm from 1000 °C to 1600 °C. As the sample surface was polished, the reflection and scattering for the electromagnetic waves of thermal radiation were reduced, causing a sustained decrease in the infrared emissivity. The space-variant polarizations caused by the cauliflower-like microstructure were enervated in the smooth surface, which enhanced the reduction trendy in the infrared emissivity. In densification process, the increasing SiC content and the growing amount of the cauliflower-like microstructure on sample surface improved the infrared emissivity of C/SiC composites, while the decreasing porosity decreased it. Due to the greater positive effects on the thermal radiation during the densification process, the infrared emissivity of C/SiC composites increased successively with density.

  8. Effect of surface morphology and densification on the infrared emissivity of C/SiC composites

    International Nuclear Information System (INIS)

    Highlights: • The cauliflower-like microstructure improved the infrared emissivity multiply. • The infrared emissivity decreased continually with the improving surface flatness. • The densification process boosted the infrared emissivity. - Abstract: The effects of surface morphology and densification on the infrared emissivity of 2D C/SiC composites were investigated in 6–16 μm from 1000 °C to 1600 °C. As the sample surface was polished, the reflection and scattering for the electromagnetic waves of thermal radiation were reduced, causing a sustained decrease in the infrared emissivity. The space-variant polarizations caused by the cauliflower-like microstructure were enervated in the smooth surface, which enhanced the reduction trendy in the infrared emissivity. In densification process, the increasing SiC content and the growing amount of the cauliflower-like microstructure on sample surface improved the infrared emissivity of C/SiC composites, while the decreasing porosity decreased it. Due to the greater positive effects on the thermal radiation during the densification process, the infrared emissivity of C/SiC composites increased successively with density

  9. Passivation of c-Si surfaces by sub-nm amorphous silicon capped with silicon nitride

    Science.gov (United States)

    Wan, Yimao; Yan, Di; Bullock, James; Zhang, Xinyu; Cuevas, Andres

    2015-12-01

    A sub-nm hydrogenated amorphous silicon (a-Si:H) film capped with silicon nitride (SiNx) is shown to provide a high level passivation to crystalline silicon (c-Si) surfaces. When passivated by a 0.8 nm a-Si:H/75 nm SiNx stack, recombination current density J0 values of 9, 11, 47, and 87 fA/cm2 are obtained on 10 Ω.cm n-type, 0.8 Ω.cm p-type, 160 Ω/sq phosphorus-diffused, and 120 Ω/sq boron-diffused silicon surfaces, respectively. The J0 on n-type 10 Ω.cm wafers is further reduced to 2.5 ± 0.5 fA/cm2 when the a-Si:H film thickness exceeds 2.5 nm. The passivation by the sub-nm a-Si:H/SiNx stack is thermally stable at 400 °C in N2 for 60 min on all four c-Si surfaces. Capacitance-voltage measurements reveal a reduction in interface defect density and film charge density with an increase in a-Si:H thickness. The nearly transparent sub-nm a-Si:H/SiNx stack is thus demonstrated to be a promising surface passivation and antireflection coating suitable for all types of surfaces encountered in high efficiency c-Si solar cells.

  10. Fiber creep rate and high-temperature properties of SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Lewinsohn, C.A.; Jones, R.H.; Youngblood, G.E.; Henager, C.H. Jr. [Pacific Northwest National Lab., Richland, WA (United States)

    1998-03-01

    Results of studies aimed at relating the fiber creep rate to the subcritical crack growth rate and fracture properties of SiC/SiC composites have demonstrated that the crack growth rate in a bulk composite is controlled by the fiber creep rate. This result was demonstrated for Nicalon-CG and Hi-Nicalon fiber reinforced material where a 50--75 c shift in the creep strength of the fiber resulted in a similar shift in the crack growth rate of the composite. Irradiation enhanced creep of SiC fibers and matrix must also be considered in the performance assessment of SiC/SiC composites. The shape of the displacement versus time curve for composites containing Hi-Nicalon fibers were similar to those of the previously tested materials, containing Ceramic-grade fibers, that exhibited subcritical crack growth controlled by time-dependent relaxation of the fiber-bridging stresses due to fiber creep. The crack velocity in the CG-C composites at 1100 C in argon was very close to that of the Hi-C materials at 1150--1175 C, this roughly corresponds to the temperature differential shown by DiCarlo et al. to obtain the same relaxation in 1 hour bend stress relaxation (BSR) tests in the two fibers. This supports the hypothesis that subcritical crack growth in SiC/SiC composites is controlled by fiber creep.

  11. Determination of material properties for short fibre reinforced C/C-SiC

    Directory of Open Access Journals (Sweden)

    Hausherr J.-M.

    2015-01-01

    Full Text Available Determining the mechanical properties of short fibre reinforced CMC using standard sized coupons has always been a challenge due to a high statistical scattering of the measured values. Although the random orientation of short fibres results in a quasi-isotropic material behavior of 2D-structures with a sufficiently large volume, the small volume typical for test coupons usually results in a non-isotropic fibre orientation in the tested volume. This paper describes a method for manufacturing unidirectional oriented short fibre reinforced CMC materials and presents material properties of UD-C/C-SiC. After verifying the fibre orientation of the CMC using micro-computed tomography, coupons were extracted to determine the orthotropic material properties. These orthotropic material properties were then used to predict the properties of C/C-SiC with randomly distributed short fibres. To validate the method, micro-computed tomography is used to quantitatively determine the fibre orientation within coupons extracted from randomly distributed short fibre C/C-SiC. After mechanical three-point-bending tests, the measured stiffness and bending strength is compared with the predicted properties. Finally, the data are used to devise a method suited for reducing the inherent large spread of material properties associated with the measurement of CMC materials with randomly distributed short fibres.

  12. Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

    Science.gov (United States)

    Goodpaster, Jason D; Bell, Alexis T; Head-Gordon, Martin

    2016-04-21

    We have carried out a periodic Kohn-Sham density functional theory investigation of the pathways by which carbon-carbon bonds could be formed during the electrochemical reduction of CO2 on Cu(100) using a model that includes the effects of the electrochemical potential, solvent, and electrolyte. The electrochemical potential was set by relating the applied potential to the Fermi energy and then calculating the number of electrons required by the simulation cell for that specific Fermi energy. The solvent was included as a continuum dielectric, and the electrolyte was described using a linearized Poisson-Boltzmann model. The calculated potential of zero charge for a variety of surfaces agrees with experiment to within a mean average error of 0.09 V, thereby validating the assumptions of the model. Analysis of the mechanism for C-C bond formation revealed that at low-applied potential, C-C bond formation occurs through a CO dimer. However, at high applied potentials, a large activation barrier blocks this pathway; therefore, C-C bond formation occurs through reaction of adsorbed CHO and CO. Rate parameters determined from our calculations were used to simulate the kinetics of ethene formation during the electrochemical reduction of CO over a Cu(100) surface. An excellent match was observed between previously reported measurements of the partial current for ethene formation as a function of applied voltage and the variation in the partial current for C-C bond formation predicted by our microkinetic model. The electrochemical model reported here is simple, fairly easy to implement, and involves only a small increase in computational cost over calculations neglecting the effects of the electrolyte and the applied field. Therefore, it can be used to study the effects of applied potential and electrolyte composition on the energetics of surface reactions for a wide variety of electrochemical reactions.

  13. Zavorne ploščice iz karboniziranega materiala za zavorne diske iz C/C-SiC: Carbonised-material-based brake pads for a C/C-SiC composite brake disc:

    OpenAIRE

    Stadler, Zmago

    2001-01-01

    Letely the brake discs from carbon-fibre-reinforced carbon composites infiltrated by silicon (LSI-process) have become very interesting for automotive brakes applications. Composite materials with a hard SiC layer on the surface of the disc (C/C-SiC) or composites with the fibre-reinforced ceramic structure (C/SiC) need the right brake-lining materials. The results of our new-brake-lining-material investigation for C/C-SiC brake discs are presented. The influence of some particular additives ...

  14. Unusual C-C bond cleavage in the formation of amine-bis(phenoxy) group 4 benzyl complexes: Mechanism of formation and application to stereospecific polymerization

    KAUST Repository

    Gowda, Ravikumar R.

    2014-08-11

    Group 4 tetrabenzyl compounds MBn4 (M = Zr, Ti), upon protonolysis with an equimolar amount of the tetradentate amine-tris(phenol) ligand N[(2,4-tBu2C6H2(CH 2)OH]3 in toluene from -30 to 25 °C, unexpectedly lead to amine-bis(phenoxy) dibenzyl complexes, BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn2 (M = Zr (1), Ti (2)) in 80% (1) and 75% (2) yields. This reaction involves an apparent cleavage of the >NCH2-ArOH bond (loss of the phenol in the ligand) and formation of the >NCH 2-CH2Bn bond (gain of the benzyl group in the ligand). Structural characterization of 1 by X-ray diffraction analysis confirms that the complex formed is a bis(benzyl) complex of Zr coordinated by a newly derived tridentate amine-bis(phenoxy) ligand arranged in a mer configuration in the solid state. The abstractive activation of 1 and 2 with B(C6F 5)3·THF in CD2Cl2 at room temperature generates the corresponding benzyl cations {BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn(THF)}+[BnB(C6F5) 3]- (M = Zr (3), Ti, (4)). These cationic complexes, along with their analogues derived from (imino)phenoxy tri- and dibenzyl complexes, [(2,6-iPr2C6H3)N=C(3,5- tBu2C6H2)O]ZrBn3 (5) and [2,4-Br2C6H2(O)(6-CH2(NC 5H9))CH2N=CH(2-adamantyl-4-MeC 6H2O)]ZrBn2 (6), have been found to effectively polymerize the biomass-derived renewable β-methyl-α-methylene- γ-butyrolactone (βMMBL) at room temperature into the highly stereoregular polymer PβMMBL with an isotacticity up to 99% mm. A combined experimental and DFT study has yielded a mechanistic pathway for the observed unusual C-C bond cleavage in the present protonolysis reaction between ZrBn4 and N[(2,4-tBu2C 6H2(CH2)OH]3 for the formation of complex 1, which involves the benzyl radical and the Zr(III) species, resulting from thermal and photochemical decomposition of ZrBn4, followed by a series of reaction sequences consisting of protonolysis, tautomerization, H-transfer, oxidation, elimination, and radical coupling. © 2014 American Chemical Society.

  15. Active Metal Brazing and Characterization of Brazed Joints in C-C and C-SiC Composites to Copper-Clad-Molybdenum System

    Science.gov (United States)

    Singh, M.; Asthana, R.

    2008-01-01

    Carbon/carbon composites with CVI and resin-derived matrices, and C/SiC composites reinforced with T-300 carbon fibers in a CVI SiC matrix were joined to Cu-clad Mo using two Ag-Cu braze alloys, Cusil-ABA (1.75% Ti) and Ticusil (4.5% Ti). The brazed joints revealed good interfacial bonding, preferential precipitation of Ti at the composite/braze interface, and a tendency toward delamination in resin-derived C/C composite. Extensive braze penetration of the inter-fiber channels in the CVI C/C composites was observed. The Knoop microhardness (HK) distribution across the C/C joints indicated sharp gradients at the interface, and a higher hardness in Ticusil than in Cusil-ABA. For the C/SiC composite to Cu-clad-Mo joints, the effect of composite surface preparation revealed that ground samples did not crack whereas unground samples cracked. Calculated strain energy in brazed joints in both systems is comparable to the strain energy in a number of other ceramic/metal systems. Theoretical predictions of the effective thermal resistance suggest that such joined systems may be promising for thermal management applications.

  16. Bond formation and slow heterogeneous dynamics in adhesive spheres with long-ranged repulsion: quantitative test of mode coupling theory.

    Science.gov (United States)

    Henrich, O; Puertas, A M; Sperl, M; Baschnagel, J; Fuchs, M

    2007-09-01

    A colloidal system of spheres interacting with both a deep and narrow attractive potential and a shallow long-ranged barrier exhibits a prepeak in the static structure factor. This peak can be related to an additional mesoscopic length scale of clusters and/or voids in the system. Simulation studies of this system have revealed that it vitrifies upon increasing the attraction into a gel-like solid at intermediate densities. The dynamics at the mesoscopic length scale corresponding to the prepeak represents the slowest mode in the system. Using mode coupling theory with all input directly taken from simulations, we reveal the mechanism for glassy arrest in the system at 40% packing fraction. The effects of the low-q peak and of polydispersity are considered in detail. We demonstrate that the local formation of physical bonds is the process whose slowing down causes arrest. It remains largely unaffected by the large-scale heterogeneities, and sets the clock for the slow cluster mode. Results from mode-coupling theory without adjustable parameters agree semiquantitatively with the local density correlators but overestimate the lifetime of the mesoscopic structure (voids). PMID:17930244

  17. Soft X-ray Absorption and Photoemission Studies of Ferromagnetic Mn-Implanted 3$C$-SiC

    OpenAIRE

    Song, Gyong Sok; Kataoka, Takashi; Kobayashi, Masaki; Hwang, Jong Il; Takizawa, Masaru; Fujimori, Atsushi; Ohkochi, Takuo; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji; Yamagami, Hiroshi; Takano, Fumiyoshi; Akinaga, Hiro

    2008-01-01

    We have performed x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS), and resonant photoemission spectroscopy (RPES) measurements of Mn-implanted 3$C$-SiC (3$C$-SiC:Mn) and carbon-incorporated Mn$_{5}$Si$_{2}$ (Mn$_{5}$Si$_{2}$:C). The Mn 2$p$ core-level XPS and XAS spectra of 3$C$-SiC:Mn and Mn$_{5}$Si$_{2}$:C were similar to each other and showed "intermediate" behaviors between the localized and itinerant Mn 3$d$ states. The intensity at the Fermi level was found t...

  18. On-Surface Synthesis of Two-Dimensional Covalent Organic Structures versus Halogen-Bonded Self-Assembly: Competing Formation of Organic Nanoarchitectures.

    Science.gov (United States)

    Peyrot, David; Silly, Fabien

    2016-05-24

    The competition between the on-surface synthesis of covalent nanoarchitectures and the self-assembly of star-shaped 1,3,5-Tris(4-iodophenyl)benzene molecules on Au(111) in vacuum is investigated using scanning tunneling microscopy above room temperature. The molecules form covalent polygonal nanoachitectures at the gold surface step edges and at the elbows of the gold reconstruction at low coverage. With coverage increasing two-dimensional halogen-bonded structures appear and grow on the surface terraces. Two different halogen-bonded nanoarchitectures are coexisting on the surface and hybrid covalent-halogen bonded structures are locally observed. At high coverage covalent nanoarchitectures are squeezed at the domain boundary of the halogen-bonded structures. The competitive growth between the covalent and halogen-bonded nanoarchitectures leads to formation of a two-layer film above one monolayer deposition. For this coverage, the covalent nanoarchitectures are propelled on top of the halogen-bonded first layer. These observations open up new opportunities for decoupling covalent nanoarchitectures from catalytically active and metal surfaces in vacuum.

  19. A theoretical model investigation of peptide bond formation involving two water molecules in ribosome supports the two-step and eight membered ring mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang [School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China); Gao, Jun, E-mail: gaojun@sdu.edu.cn [Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070 (China); School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China); Zhang, Dongju; Liu, Chengbu [School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China)

    2015-04-01

    Highlights: • We theoretical studied peptide bond formation reaction mechanism with two water molecules. • The first water molecule can decrease the reaction barriers by forming hydrogen bonds. • The water molecule mediated three-proton transfer mechanism is the favorable mechanism. • Our calculation supports the two-step and eight membered ring mechanism. - Abstract: The ribosome is the macromolecular machine that catalyzes protein synthesis. The kinetic isotope effect analysis reported by Strobel group supports the two-step mechanism. However, the destination of the proton originating from the nucleophilic amine is uncertain. A computational simulation of different mechanisms including water molecules is carried out using the same reaction model and theoretical level. Formation the tetrahedral intermediate with proton transfer from nucleophilic nitrogen, is the rate-limiting step when two water molecules participate in peptide bond formation. The first water molecule forming hydrogen bonds with O9′ and H15′ in the A site can decrease the reaction barriers. Combined with results of the solvent isotope effects analysis, we conclude that the three-proton transfer mechanism in which water molecule mediate the proton shuttle between amino and carbon oxygen in rate-limiting step is the favorable mechanism. Our results will shield light on a better understand the reaction mechanism of ribosome.

  20. 不同界面SiC/SiC复合材料的断裂行为研究%Fracture Behavior of SiC/SiC Composites with Different Interfaces

    Institute of Scientific and Technical Information of China (English)

    赵爽; 杨自春; 周新贵

    2016-01-01

    碳化硅纤维增强碳化硅复合材料(SiC/SiC)是极具前景的高温结构材料.通过先驱体浸渍裂解(PIP)工艺分别制各了Pyc界面和CNTs界面SiC/SiC复合材料,对两种SiC/SiC复合材料的整体力学性能以及界面剪切强度等进行了测试表征,并对材料中裂纹的产生与扩展进行了原位观测.结果表明,两种界面SiC/SiC复合材料弯曲强度相近,但PyC界面SiC/SiC复合材料的断裂韧性约为CNTs界面SiC/SiC复合材料的两倍.在PyC界面SiC/SiC复合材料中,裂纹沿纤维-基体界面扩展,PyC涂层能够偏转或阻止裂纹,材料呈现伪塑性断裂特征;而在CNTs界面SiC/SiC复合材料中,裂纹在扩展路径上遇到界面并不偏转,初始裂纹最终发展为主裂纹,材料呈现脆性断裂模式.

  1. Formation of the Si-B bond: insertion reactions of silylenes into B-X(X = F, Cl, Br, O, and N) bonds.

    Science.gov (United States)

    Geng, Bing; Xu, Chongjuan; Chen, Zhonghe

    2016-06-01

    The insertion reactions of the silylene H2Si with H2BXHn-1 (X = F, Cl, Br, O, N; n = 1, 1, 1, 2, 3) have been studied by DFT and MP2 methods. The calculations show that the insertions occur in a concerted manner, forming H2Si(BH2)(XHn-1). The essences of H2Si insertions with H2BXHn-1 are the transfers of the σ electrons on the Si atom to the positive BH2 group and the electrons of X into the empty p orbital on the Si atom in H2Si. The order of reactivity in vacuum shows the barrier heights increase for the same-family element X from up to down and the same-row element X from right to left in the periodic table. The energies relating to the B-X bond in H2BXHn-1, and the bond energies of Si-X and Si-B in H2Si(BH2)(XHn-1) may determine the preference of insertions of H2Si into B-X bonds for the same-column element X or for the same-row element X. The insertion reactions in vacuum are similar to those in solvents, acetone, ether, and THF. The barriers in vacuum are lower than those in solvents and the larger polarities of solvents make the insertions more difficult to take place. Both in vacuum and in solvents, the silylene insertions are thermodynamically exothermic. Graphical Abstract The insertion process of H2Si and H2BXHn-1(X = F, Cl, Br, O, and N; n = 1, 1 , 1, 2, 3). PMID:27184004

  2. Passivation of c-Si surfaces by sub-nm amorphous silicon capped with silicon nitride

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Yimao, E-mail: yimao.wan@anu.edu.au; Yan, Di; Bullock, James; Zhang, Xinyu; Cuevas, Andres [Research School of Engineering, The Australian National University, Canberra, Australian Capital Territory 0200 (Australia)

    2015-12-07

    A sub-nm hydrogenated amorphous silicon (a-Si:H) film capped with silicon nitride (SiN{sub x}) is shown to provide a high level passivation to crystalline silicon (c-Si) surfaces. When passivated by a 0.8 nm a-Si:H/75 nm SiN{sub x} stack, recombination current density J{sub 0} values of 9, 11, 47, and 87 fA/cm{sup 2} are obtained on 10 Ω·cm n-type, 0.8 Ω·cm p-type, 160 Ω/sq phosphorus-diffused, and 120 Ω/sq boron-diffused silicon surfaces, respectively. The J{sub 0} on n-type 10 Ω·cm wafers is further reduced to 2.5 ± 0.5 fA/cm{sup 2} when the a-Si:H film thickness exceeds 2.5 nm. The passivation by the sub-nm a-Si:H/SiN{sub x} stack is thermally stable at 400 °C in N{sub 2} for 60 min on all four c-Si surfaces. Capacitance–voltage measurements reveal a reduction in interface defect density and film charge density with an increase in a-Si:H thickness. The nearly transparent sub-nm a-Si:H/SiN{sub x} stack is thus demonstrated to be a promising surface passivation and antireflection coating suitable for all types of surfaces encountered in high efficiency c-Si solar cells.

  3. Effects of porosity on the elastic behaviour of CVI SiC/SiC composites

    International Nuclear Information System (INIS)

    Full text of publication follows: In the context of the 4. generation of nuclear reactor, SiC/SiC composites are candidate for structural applications. Elasticity and thermal conductivity are the first properties used in calculations to dimension the mechanical structures. As a consequence, a good knowledge of these properties is essential. Due to the complex geometry of SiC/SiC composites, these materials are highly anisotropic so that a multi-scale approach has to be developed in order to have a better estimation of this anisotropy which can be hard to fully determine experimentally. The composite can be described as follow: at the meso-scale, the composite is regarded as a weaving of homogeneous tows and at the micro-scale, the tow is regarded as a mixture of fibers and matrix. So, the first step of this multi-scale modeling, which is the purpose of this paper, is to evaluate the elastic and thermal anisotropy of the tow (that can be seen as a unidirectional SiC/SiC composite) from the properties of its constituents, the matrix, the fibers and the porosity. This multi-scale modeling is based on a numerical homogenization procedure: the elastic and thermal effective properties are deduced from a finite-element calculation performed on a representative unit-cell. The microstructures used as representative unit cell are simulated microstructures which can account for the porosity due to the CVI process. After a discussion on the Representative Volume Element that has to be taken into account. The effect of the choice of the fibers (Tyranno SA3 and Hi Nicalon S) and of the porosity due to the process (NITE or CVI) will be evaluated. This effect will be evaluated on the effective properties but also on the local heterogeneities of stress and strain that will play a significant role in the initiation of damage. (authors)

  4. Electrical characterization of a-Si:H(n)/c-Si(p) structure

    International Nuclear Information System (INIS)

    Highlights: → We have fabricated the state of art heterojunction diode structure. → Interface state density of the device values vary between 1014 eV-1 cm-2 and 1013 eV-1 cm-2. → It is the first time we have observed T* anomaly and explained the main reason. - Abstract: In this study, n-type hydrogenated amorphous silicon (a-Si:H) was fabricated on p-type crystalline silicon (c-Si) substrates to obtain heterojunction diodes. The amorphous films were obtained by the Plasma Enhanced Chemical Vapor Deposition (PECVD) technique. Temperature dependent current-voltage (I-V-T) measurements and investigation of the dc current injection mechanism of a-Si:H(n)/c-Si(p) device structure have been performed. The series resistance (4.6-8.2 Ω) values displayed nearly temperature independent behavior and the ideality factor varied between 2.7 and 1.6 in the temperature range 100-320 K. The forward bias I-V-T characteristics of c-Si/a-Si:H heterojunctions are found to behave like the Schottky junctions where carrier injection is especially influenced by the carrier generation-recombination in the junction interface formed on the amorphous side. The temperature dependent ideality factor behavior shows that tunneling enhanced recombination is valid rather than thermionic emission theory. In the frame of this model, characteristic tunneling energy and characteristic temperature are found to be 9 meV and 1900 K, respectively. It is concluded that fabricate n-type hydrogenated amorphous silicon is a preferable semiconductor material layer with low interface state density because the temperature dependent interface state density calculations give values of the order of 1014 eV-1 cm-2.

  5. Influence of remaining C on hardness and emissivity of SiC/SiO 2 nanocomposite coating

    Science.gov (United States)

    Yi, J.; He, X. D.; Sun, Y.; Li, Y.; Li, M. W.

    2007-06-01

    SiC/SiO 2 nanocomposite coating was deposited by electron beam-physical vapor deposition (EB-PVD) through depositing SiC target on pre-oxidized 316 stainless steel (SS) substrate. High melting point component C remained and covered on the surface of ingot after evaporation. When SiC ingot was reused, remaining C had an effect on the composition, hardness and emissivity of SiC/SiO 2 nanocomposite coating. The composition of ingot and coating was studied by X-ray photoelectron spectroscopy (XPS). The influence of remaining C on hardness and spectral normal emissivity of SiC/SiO 2 nanocomposite coating was investigated by nanoindentation and Fourier transform infrared spectrum (FTIR), respectively. The results show that remaining C has a large effect on hardness and a minor effect on spectral normal emissivity of SiC/SiO 2 nanocomposite coating.

  6. Investigation of structural and electrical properties of flat a-Si/c-Si heterostructure fabricated by EBPVD technique

    Energy Technology Data Exchange (ETDEWEB)

    Demiroğlu, D. [Department of Metallurgical and Materials Engineering, Istanbul Technical University, Ayazağa 34469, Istanbul (Turkey); Tatar, B. [Faculty of Arts and Sciences, Department of Physics, Namık Kemal University, Değirmenaltı, Tekirdağ (Turkey); Kazmanli, K.; Urgen, M. [Department of Metallurgical and Materials Engineering, Istanbul Technical University, Ayazağa 34469, Istanbul (Turkey)

    2013-12-16

    Flat amorphous silicon - crystal silicon (a-Si/c-Si) heterostructure were prepared by ultra-high vacuum electron beam evaporation technique on p-Si (111) and n-Si (100) single crystal substrates. Structural analyses were investigated by XRD, Raman and FEG-SEM analysis. With these analyses we determined that at the least amorphous structure shows modification but amorphous structure just protected. The electrical and photovoltaic properties of flat a-Si/c-Si heterojunction devices were investigated with current-voltage characteristics under dark and illumination conditions. Electrical properties of flat a-Si/c-Si heterorojunction; such as barrier height Φ{sub B}, diode ideality factor η were determined from current-voltage characteristics in dark conditions. These a-Si/c-Si heterostructure have good rectification behavior as a diode and exhibit high photovoltaic sensitivity.

  7. Mechanical modeling of SiC/SiC composites and design criteria

    International Nuclear Information System (INIS)

    The design of SiC/SiC composite structures, candidates for the fuel cladding of some 4th generation fast reactors, requires an understanding and a modeling of their mechanical behavior. Therefore, a 3D model using only few scalar damage variables has been developed at CEA and identified with biaxial tension-torsion tests. Based on a few hypotheses on the crack properties (orientation, opening laws and damage kinetics), it gives satisfying results at several tension/torsion ratios for all in-plane components of the strain tensor. Moreover, two damage criteria useful for the design of components are proposed. (author)

  8. Densification and Microstructural Evolutions during Reaction Sintering of SiC-Si-C Powder Compacts

    OpenAIRE

    Asgharzadeh, H.; Ehsani, N

    2011-01-01

    Porous SiC-Si-C ceramics were produced by reaction sintering (RS) of silicon carbide, silicon, and carbon powder compacts in the temperature range of 1400–1600°C. The effects of chemical composition of the starting powder, initial SiC particle size, and reaction sintering temperature and duration on the densification and microstructure of ceramic materials were studied. The results showed that increasing the amount of Si and/or C powders in the starting powder mixture had a detrimental influe...

  9. Thermophysical and mechanical properties of SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Zinkle, S.J.; Snead, L.L. [Oak Ridge National Lab., TN (United States)

    1998-09-01

    The key thermophysical and mechanical properties for SiC/SiC composites are summarized, including temperature-dependent tensile properties, elastic constants, thermal conductivity, thermal expansion, and specific heat. The effects of neutron irradiation on the thermal conductivity and dimensional stability (volumetric swelling, creep) of SiC is discussed. The estimated lower and upper temperatures limits for structural applications in high power density fusion applications are 400 and 1000 C due to thermal conductivity degradation and void swelling considerations, respectively. Further data are needed to more accurately determine these estimated temperature limits.

  10. Investigation of the optoelectronic properties of {mu}c-Si:H pin solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Stiebig, H.; Brammer, T.; Zimmer, J.; Vetterl, O.; Wagner, H. [Forschungszentrum Juelich GmbH, ISI-PV, D-52425 Juelich (Germany)

    2000-05-01

    We have investigated microcrystalline silicon ({mu}c-Si:H) pin solar cells deposited at different silane concentrations in the gas phase varying from 2% to 7.2%. For these cells three features were found: the dark current of the cells decreased, the open circuit voltage increased and the blue response reduced with increasing silane concentration during deposition. To study the transport and recombination of these structures we have compared the experimentally determined optoelectronic properties with simulated data. The simulations reveal that the equilibrium carrier concentration of free carriers decreases and the affect of the nucleation region of the i-layer on the blue response increases with increasing silane concentration.

  11. Microstructure and Oxidation Behavior of CNT/PyC/SiC Coating on C/C Composite Material

    OpenAIRE

    Mizuki, Hironori; Sano, Hideaki; Zheng, Guo-Bin; Uchiyama, Yasuo

    2008-01-01

    CNT/PyC/SiC coating were prepared by direct growth of CNTs on C/C followed by deposition of PyC (pyrolytic carbon) and SiC. It is found that the coating consisted of two layers; the CNT/PyC/SiC layer and SiC layer. The oxidation resistance of C/C was improved by the coating, which had much fewer cracks and better thermal-shock resistance.

  12. Perovskite/c-Si tandem solar cell with inverted nanopyramids: realizing high efficiency by controllable light trapping

    OpenAIRE

    Dai Shi; Yang Zeng; Wenzhong Shen

    2015-01-01

    Perovskite/c-Si tandem solar cells (TSCs) have become a promising candidate in recent years for achieving efficiency over 30%. Although general analysis has shown very high upper limits for such TSCs, it remains largely unclear what specific optical structures could best approach these limits. Here we propose the combination of perovskite/c-Si tandem structure with inverted nanopyramid morphology as a practical way of achieving efficiency above 31% based on realistic solar cell parameters. By...

  13. Technique development for modulus, microcracking, hermeticity, and coating evaluation capability characterization of SiC/SiC tubes

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Xunxiang [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Ang, Caen K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Singh, Gyanender P. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Katoh, Yutai [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

    2016-08-01

    Driven by the need to enlarge the safety margins of nuclear fission reactors in accident scenarios, research and development of accident-tolerant fuel has become an important topic in the nuclear engineering and materials community. A continuous-fiber SiC/SiC composite is under consideration as a replacement for traditional zirconium alloy cladding owing to its high-temperature stability, chemical inertness, and exceptional irradiation resistance. An important task is the development of characterization techniques for SiC/SiC cladding, since traditional work using rectangular bars or disks cannot directly provide useful information on the properties of SiC/SiC composite tubes for fuel cladding applications. At Oak Ridge National Laboratory, experimental capabilities are under development to characterize the modulus, microcracking, and hermeticity of as-fabricated, as-irradiated SiC/SiC composite tubes. Resonant ultrasound spectroscopy has been validated as a promising technique to evaluate the elastic properties of SiC/SiC composite tubes and microcracking within the material. A similar technique, impulse excitation, is efficient in determining the basic mechanical properties of SiC bars prepared by chemical vapor deposition; it also has potential for application in studying the mechanical properties of SiC/SiC composite tubes. Complete evaluation of the quality of the developed coatings, a major mitigation strategy against gas permeation and hydrothermal corrosion, requires the deployment of various experimental techniques, such as scratch indentation, tensile pulling-off tests, and scanning electron microscopy. In addition, a comprehensive permeation test station is being established to assess the hermeticity of SiC/SiC composite tubes and to determine the H/D/He permeability of SiC/SiC composites. This report summarizes the current status of the development of these experimental capabilities.

  14. Study on the chemical compatibility of SiC/SiC composites as core materials for Sodium Fast Reactors

    International Nuclear Information System (INIS)

    Silicon carbide (SiC) fibers combined with a SiC matrix constitute an advanced solution for Fast Neutron Reactors (SFR, GFR…) as core materials for their stability at high temperature and their neutron transparency. However, the compatibility with the reactor's fuel and coolant has to be studied within a wide range of temperatures: moderated in normal operation (close-circuit at 550°C) and elevated (open-middle) in accidental conditions. Concerning the compatibility of SiC/SiC with the fuel and, considering in a first step uranium oxide, the stoichiometry of uranium dioxide remains one of the important parameters to be studied. Experimental results on the chemical compatibility between UO2.15 and SiC were obtained using high temperature mass spectrometry. The reaction for 6 hours at 1773 K produces the release of mainly COg, CO2(g) and SiO(g) and Si(g) and leads to the formation of uranium silicide compounds. The uranium oxide was fully consumed. Thermodynamic calculations were performed to prepare and interpret the experiments. (author). (author)

  15. Influence of wavelength on laser doping and laser-fired contact processes for c-Si solar cells

    Science.gov (United States)

    Molpeceres, Carlos; Sánchez-Aniorte, María. Isabel; Morales, Miguel; Muñoz, David; Martín, Isidro; Ortega, Pablo; Colina, Mónica; Voz, Cristóbal; Alcubilla, Ramón

    2012-10-01

    This work investigates the influence of the laser wavelength on laser doping (LD) and laser-fired contact (LFC) formation in solar cell structures. We compare the results obtained using the three first harmonics (corresponding to wavelengths of 1064 nm, 532 nm and 355 nm) of fully commercial solid state laser sources with pulse width in the ns range. The discussion is based on the impact on the morphology and electrical characteristics of test structures. In the case of LFC the study includes the influence of different passivation layers and the assessment of the process quality through electrical resistance measurements of an aluminium single LFC point for the different wavelengths. Values for the normalized LFC resistance far below 1.0 mΩcm2 have been obtained, with better results at shorter wavelengths. To assess the influence of the laser wavelength on LD we have created n+ regions into p-type c-Si wafers, using a dry LD approach to define punctual emitters. J-V characteristics show exponential trends at mid-injection for a broad parametric window in all wavelengths, with local ideality factors well below 1.5. In both processes the best results have been obtained using green (532 nm) and, specially, UV (355 nm). This indicates that to minimize the thermal damage in the material is a clear requisite to obtain the best electrical performance, thus indicating that UV laser shows better potential to be used in high efficiency solar cells.

  16. Density functional theory study of the shallow boron impurity in 3 C -SiC and comparison with experimental data

    Science.gov (United States)

    Petrenko, T. T.; Petrenko, T. L.

    2016-04-01

    In this paper, we present a detailed study of the boron impurity in 3 C -SiC (BS i) in the cluster (CL) and supercell (SC) approximations, using representative local, gradient-corrected, and hybrid density functionals. Comparison of the theoretical spin-Hamiltonian parameters, calculated in the CL approximation using nonlocal density functionals, with the corresponding experimental values for the so-called shallow boron in SiC has proved that the latter is the BSi 0 defect. We analyze the motional effects in the electron paramagnetic resonance spectra, as well as the site dependence of the symmetry and SH parameters of BSi 0. The dependencies of the calculated structural and energetic parameters on the size of the model space both for SC and CL methods are presented. The calculated relative formation energies and transition energy levels for the neutral BS i and BC centers reveal substantial finite-size effects. A simple extrapolation scheme indicates that the supercells with up to 105 atoms are required to achieve the desired accuracy level of 0.1 eV. Calculations suggest that BC impurity is a hyperdeep acceptor, which acts as the electron trap rather than increases the p -type conductivity.

  17. Fabrication of SiC/SiC composites by means of in situ crystallization of SiC fibers

    International Nuclear Information System (INIS)

    A novel challenge, the in situ crystallization of Pre-SiC reinforced-fiber during the fabrication of SiC/SiC composites, has been made for cost effectiveness by altering the conventional coating method. Constituent parts of each fabricated material with various manufacturing conditions were assessed by microscopic observation. The depending issues of a prototype process were rather serious that the unwanted areas were conspicuously observed as several forms, such as a residual oxide area, unsintered area, course matrix, porosity along the fiber-tows, and a huge scale of deformation on fiber-tows. Crystallization process of Pre-SiC fiber itself caused volume contraction of about 24.5%, which result in the formation of a gap between the fiber-tow and pyrolytic carbon (PyC) interface. Crucial design parameter is determined as the amount of PyC, a large amount of that will cause irregular stress on fiber bundles during hot-pressing. The successful fabrication improvement, based on the control of dominant parameter and defects, shows that the known defects are rarely observed in the final product of composite material.

  18. Reduction of interface states by hydrogen treatment at the aluminum oxide/4H-SiC Si-face interface

    Directory of Open Access Journals (Sweden)

    Hironori Yoshioka

    2016-10-01

    Full Text Available Processes to form aluminum oxide as a gate insulator on the 4H-SiC Si-face are investigated to eliminate the interface state density (DIT and improve the mobility. Processes that do not involve the insertion or formation of SiO2 at the interface are preferential to eliminate traps that may be present in SiO2. Aluminum oxide was formed by atomic layer deposition with hydrogen plasma pretreatment followed by annealing in forming gas. Hydrogen treatment was effective to reduce DIT at the interface of aluminum oxide and SiC without a SiO2 interlayer. Optimization of the process conditions resulted in DIT for the metal oxide semiconductor (MOS capacitor of 1.7×1012 cm−2eV−1 at 0.2 eV, and the peak field-effect mobility of the MOS field-effect transistor (MOSFET was approximately 57 cm2V−1s−1.

  19. Effect of Number of Filaments on the Structure, Composition and Electrical Properties of µC-SI:H Layers Deposited Using HWCVD Technique

    Directory of Open Access Journals (Sweden)

    S.K. Soni

    2011-01-01

    Full Text Available Influence of the number of filaments on the deposition rate, structural, compositional and electrical properties of hydrogenated microcrystalline silicon (μc-Si:H deposited by hot wire chemical vapor deposition (HWCVD has been studied. Also a systematic study of the variation of silane concentration in the silane + hydrogen gas mixture has been done for different number of filaments. The films are characterized by Raman and FTIR spectra to see the crystalline volume fraction and composition respectively. Dark and photoconductivity measurement have been done to see the electrical properties of the material. Cross section SEM and AFM studies also have been done to see their structure and surface morphology.The advantage of using 8 filaments is that the deposition rate of the μc-Si:H films is higher as compared to films deposited with 4 filaments without deteriorating the quality of μc-Si:H films. Some more interesting results are observed here. The post deposition oxygen uptake is lower for films deposited with 6 sccm and beyond silane flow for the 8 filaments case, while in case of 4 filaments the oxygen uptake is lower beyond 3 sccm silane flow. Another difference is that these films become totally amorphous for 8 sccm silane flow with 8 filaments while in case of 4 filaments the film becomes amorphous when 7 sccm silane flow is maintained. Thus it is confirmed that a higher number of filaments aid in the formation of crystalline film. Moreover the hydrogen content in films is also low with higher number of filaments.

  20. Femtosecond X-ray solution scattering reveals that bond formation mechanism of a gold trimer complex is independent of excitation wavelength.

    Science.gov (United States)

    Kim, Kyung Hwan; Kim, Jong Goo; Oang, Key Young; Kim, Tae Wu; Ki, Hosung; Jo, Junbeom; Kim, Jeongho; Sato, Tokushi; Nozawa, Shunsuke; Adachi, Shin-Ichi; Ihee, Hyotcherl

    2016-07-01

    The [Au(CN)2 (-)]3 trimer in water experiences a strong van der Waals interaction between the d(10) gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time. The trimer in the ground state (S0) exists as a bent structure without the covalent bond between the gold atoms, and upon the laser excitation, one electron in the antibonding orbital goes to the bonding orbital, thereby inducing the formation of a covalent bond between gold atoms. This process has been studied by various time-resolved techniques, and most of the interpretation on the structure and dynamics converge except that the structure of the first intermediate (S1) has been debated due to different interpretations between femtosecond optical spectroscopy and femtosecond X-ray solution scattering. Recently, the excitation wavelength of 267 nm employed in our previous scattering experiment was suggested as the culprit for misinterpretation. Here, we revisited this issue by performing femtosecond X-ray solution scattering with 310 nm excitation and compared the results with our previous study employing 267 nm excitation. The data show that a linear S1 structure is formed within 500 fs regardless of excitation wavelength and the structural dynamics observed at both excitation wavelengths are identical to each other within experimental errors. PMID:27191012

  1. Femtosecond X-ray solution scattering reveals that bond formation mechanism of a gold trimer complex is independent of excitation wavelength

    Directory of Open Access Journals (Sweden)

    Kyung Hwan Kim

    2016-07-01

    Full Text Available The [Au(CN2−]3 trimer in water experiences a strong van der Waals interaction between the d10 gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time. The trimer in the ground state (S0 exists as a bent structure without the covalent bond between the gold atoms, and upon the laser excitation, one electron in the antibonding orbital goes to the bonding orbital, thereby inducing the formation of a covalent bond between gold atoms. This process has been studied by various time-resolved techniques, and most of the interpretation on the structure and dynamics converge except that the structure of the first intermediate (S1 has been debated due to different interpretations between femtosecond optical spectroscopy and femtosecond X-ray solution scattering. Recently, the excitation wavelength of 267 nm employed in our previous scattering experiment was suggested as the culprit for misinterpretation. Here, we revisited this issue by performing femtosecond X-ray solution scattering with 310 nm excitation and compared the results with our previous study employing 267 nm excitation. The data show that a linear S1 structure is formed within 500 fs regardless of excitation wavelength and the structural dynamics observed at both excitation wavelengths are identical to each other within experimental errors.

  2. Effect of interlayer configurations on joint formation in TLP bonding of Ti-6Al-4V to Mg-AZ31

    International Nuclear Information System (INIS)

    In this research work, the transient liquid phase (TLP) bonding process was utilized to fabricate joints using thin (20μm) nickel and copper foils placed between two bonding surfaces to help facilitate joint formation. Two joint configurations were investigated, first, Ti-6Al-4V/CuNi/Mg-AZ31 and second, Ti-6Al-4V/NiCu/Mg-AZ3L The effect of bonding time on microstructural developments across the joint and the changes in mechanical properties were studied as a function of bonding temperature and pressure. The bonded specimens were examined by metallographic analysis, scanning electron microscopy (SEM), and X-ray diffraction (XRD). In both cases, intermetallic phase of CuMg2 and Mg3AlNi2 was observed inside the joint region. The results show that joint shear strengths for the Ti-6Al-4V/CuNi/Mg-AZ31 setup produce joints with shear strength of 57 MPa compared to 27MPa for joints made using the Ti-6Al-4V/NiCu/Mg-AZ31 layer arrangement

  3. a-Si/c-Si heterojunction solar cells on SiSiC ceramic substrates

    Institute of Scientific and Technical Information of China (English)

    LI Xudong; XU Ying; CHE Xiaoqi

    2006-01-01

    Silicon thin-film solar cells are considered to be one of the most promising cells in the future for their potential advantages, such as low cost, high efficiency, great stability, simple processing, and none-pollution. In this paper, latest progress on poly-crystalline silicon solar cells on ceramic substrates achieved by our group was reported. Rapid thermal chemical vapor deposition (RTCVD) was used to deposited poly-crystalline silicon thin films, and the grains of as-grown film were enlarged by Zone-melting Recrystallization (ZMR). As a great changein cell's structure, traditional diffused pn homojunction was replaced by a-Si/c-Si heterojunction, which lead is to distinct improvement in cell's efficiency.A conversion efficiency of 3.42% has been achieved on 1cm2 a-Si/c-Si heterojunction solar cell ( Isc =16.93 mA, Voc =310.9 mV, FF =06493, AM =1.5 G,24 ℃), while the cell with diffused homojunction only gotan efficiency of 0.6%. It indicates that a-Si emitter formed at low temperature might be more suitable for thin film cell on ceramics.

  4. Ablation behavior and mechanism analysis of C/SiC composites

    Directory of Open Access Journals (Sweden)

    Yang Wang

    2016-04-01

    Full Text Available Ablation is an erosive phenomenon with removal of material by a combination of thermo-mechanical, thermo-chemical, and thermo-physical factors with high temperature, pressure, and velocity of combustion flame. Materials with outstanding thermo-mechanical and thermo-chemical properties are required for future high-temperature components. C/SiC is a kind of great potential high-temperature structural material in aeronautics and astronautics with low specific weight, high specific strength, good thermal stability, oxidation resistance and excellent resistance to ablation. In this paper, the ablation phenomenon and mechanisms were summarized adequately. The ablated surface of C/SiC composites could be divided into three regions from center to external. In general, the higher the density, the lower the ablation rate; the lower the ablation temperature and less time, the lower the ablation rate, and the preparation methods also had a great influence on the ablation property. Thermo-physical and thermo-mechanical attacks were the main ablation behavior in the center region; oxidation was the main ablation behavior in the transition region and the border oxidation region.

  5. P-μc-Si1-xGex:H thin film by VHF-PECVD

    Institute of Scientific and Technical Information of China (English)

    SHANG Ze-ren; ZHANG jian-jun; ZHANG Li-ping; HU Zeng-xin; XUE Jun-ming; ZHAO Ying; GENG Xin-hua

    2008-01-01

    In this paper,a series of boron doped microcrystalline hydrogenated silicon-germanium(p-μc-Si1-xGex:H)was deposited by very high frequency plasma-enhanced chemical vapor deposition(VHF-PECVD)from SiH4 and GeF4 mixtures.The effect of GeF4concentration on films'composition.structure and electrical properties was studied.The resuIts show tllat with the increase of GeF4 concentration,the Ge fraction x increases.The dark conductivity and crystalline volume fraction increase first,and then decrease.When the GC is 4%,p-μc-Si1-xGex:H matefiai with high conductivity,low activation energy(σ=1.68 S/cm,Eg=0.047 eV),high crystalline volume fraction (60%)and with an average transmission coefficient over the long wave region reaching 0.9 at the thickness of 72 am was achieved.The experimental results were discussed in detail.

  6. Ultrafast laser direct hard-mask writing for high efficiency c-Si texture designs

    Directory of Open Access Journals (Sweden)

    Nogami Jun

    2013-03-01

    Full Text Available This study reports a high-resolution hard-mask laser writing technique to facilitate the selective etching of crystalline silicon (c-Si into an inverted-pyramidal texture with feature size and periodicity on the order of the wavelength which, thus, provides for both anti-reflection and effective light-trapping of infrared and visible light. The process also enables engineered positional placement of the inverted-pyramid thereby providing another parameter for optimal design of an optically efficient pattern. The proposed technique, a non-cleanroom process, is scalable for large area micro-fabrication of high-efficiency thin c-Si photovoltaics. Optical wave simulations suggest the fabricated textured surface with 1.3 μm inverted-pyramids and a single anti-reflective coating increases the relative energy conversion efficiency by 11% compared to the PERL-cell texture with 9 μm inverted pyramids on a 400 μm thick wafer. This efficiency gain is anticipated to improve further for thinner wafers due to enhanced diffractive light trapping effects.

  7. Experimental characterisation of damage in SiC/SiC minicomposites

    Directory of Open Access Journals (Sweden)

    Sauder C.

    2010-06-01

    Full Text Available SiC/SiC composites are studied for their potential use in the next generation of nuclear reactors. A multiscale approach is under development to construct a predictive modelling of their complex damageable mechanical behaviour due to their heterogeneous microstructure. This paper focuses on the damage characterisation of the composite at the scale of the tow at room temperature, both in terms of its spatial distribution and its chronology. Such observations are necessary to validate a multiscale damage modelling at the microscopic scale. The nonlinear behaviour is related to the accumulation of damages such as matrix cracking, fibre/matrix debonding and finally fibre breaking. Therefore, in-situ tensile tests were carried out on SiC/SiC minicomposites using scanning electron microscopy. Specific procedures could be used to get statistical data on the crack evolution. The first results especially show that the growth of the crack openings over the global strain is related to inter-crack distance. This test was complemented by a microtomographic investigation, conducted at the ESRF, performed on a minicomposite submitted to a tensile load. An analysis conducted on the 3D image of a crack shows a slow propagation of the matrix cracking through the minicomposite section.

  8. Ultrafast laser direct hard-mask writing for high efficiency c-Si texture designs

    Science.gov (United States)

    Kumar, Kitty; Lee, Kenneth K. C.; Nogami, Jun; Herman, Peter R.; Kherani, Nazir P.

    2013-03-01

    This study reports a high-resolution hard-mask laser writing technique to facilitate the selective etching of crystalline silicon (c-Si) into an inverted-pyramidal texture with feature size and periodicity on the order of the wavelength which, thus, provides for both anti-reflection and effective light-trapping of infrared and visible light. The process also enables engineered positional placement of the inverted-pyramid thereby providing another parameter for optimal design of an optically efficient pattern. The proposed technique, a non-cleanroom process, is scalable for large area micro-fabrication of high-efficiency thin c-Si photovoltaics. Optical wave simulations suggest the fabricated textured surface with 1.3 μm inverted-pyramids and a single anti-reflective coating increases the relative energy conversion efficiency by 11% compared to the PERL-cell texture with 9 μm inverted pyramids on a 400 μm thick wafer. This efficiency gain is anticipated to improve further for thinner wafers due to enhanced diffractive light trapping effects.

  9. Grain growth of nanocrystalline 3C-SiC under Au ion irradiation at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Limin; Jiang, Weilin; Dissanayake, Amila C.; Varga, Tamas; Zhang, Jiandong; Zhu, Zihua; Hu, Dehong; Wang, Haiyan; Henager, Charles H.; Wang, Tieshan

    2016-01-09

    Nanocrystalline silicon carbide (SiC) represents an excellent model system for a fundamental study of interfacial (grain boundary) processes under nuclear radiation, which are critical to the understanding of the response of nanostructured materials to high-dose irradiation. This study reports on a comparison of irradiation effects in cubic phase SiC (3C-SiC) grains of a few nanometers in size and single-crystal 3C-SiC films under identical Au ion irradiation to a range of doses at 700 K. In contrast to the latter, in which lattice disorder is accumulated to a saturation level without full amorphization, the average grain size of the former increases with dose following a power-law trend. In addition to coalescence, the grain grows through atomic jumps and mass transport, where irradiation induced vacancies at grain boundaries assist the processes. It is found that a higher irradiation temperature leads to slower grain growth and a faster approach to a saturation size of SiC nanograins. The results could potentially have a positive impact on structural components of advanced nuclear energy systems.

  10. Simulation of Complex Cracking in Plain Weave C/SiC Composite under Biaxial Loading

    Science.gov (United States)

    Cheng, Ron-Bin; Hsu, Su-Yuen

    2012-01-01

    Finite element analysis is performed on a mesh, based on computed geometry of a plain weave C/SiC composite with assumed internal stacking, to reveal the pattern of internal damage due to biaxial normal cyclic loading. The simulation encompasses intertow matrix cracking, matrix cracking inside the tows, and separation at the tow-intertow matrix and tow-tow interfaces. All these dissipative behaviors are represented by traction-separation cohesive laws. Not aimed at quantitatively predicting the overall stress-strain relation, the simulation, however, does not take the actual process of fiber debonding into account. The fiber tows are represented by a simple rule-of-mixture model where the reinforcing phase is a hypothetical one-dimensional material. Numerical results indicate that for the plain weave C/SiC composite, 1) matrix-crack initiation sites are primarily determined by large intertow matrix voids and interlayer tow-tow contacts, 2) the pattern of internal damage strongly depends on the loading path and initial stress, 3) compressive loading inflicts virtually no damage evolution. KEY WORDS: ceramic matrix composite, plain weave, cohesive model, brittle failure, smeared crack model, progressive damage, meso-mechanical analysis, finite element.

  11. Characterization of the as Manufactured Variability in a CVI SiC/SiC Woven Composite

    Science.gov (United States)

    Bonacuse, Peter J.; Mital, Subodh; Goldberg, Robert

    2011-01-01

    The microstructure of a 2D woven ceramic matrix composite displays significant variability and irregularity. For example, a chemical vapor infiltrated (CVI) SiC/SiC composite exhibits significant amount of porosity arranged in irregular patterns. Furthermore, the fiber tows within a ply frequently have irregular shape and spacing, and the stacked plies are often misaligned and irregularly nested within each other. The goal of an ongoing project at NASA Glenn is to investigate the effects of the complex microstructure and its variability on the properties and the durability of the material. One key requirement for this effort is the development of methods to characterize the distribution in as-fabricated ceramic matrix composite (CMC) microstructures with the objective of correlating microstructural distribution parameters with mechanical performance. An initial task in this effort was to perform quantitative image analysis of polished cross sections of CVI SiC/SiC composite specimens. This analysis provided sample distributions of various microstructural composite features, including: inter-tow pore sizes and shapes, transverse sectioned tow sizes and shapes, and within ply tow spacing. This information can then be used to quantify the effect of extreme values of these features on the local stress state with the goal of determining the likelihood of matrix cracking at a given external load.

  12. Nitride Conversion: A Novel Approach to c-Si Solar Cell Metallization

    Science.gov (United States)

    Hook, David Henry

    Metallization of commercial-grade c-Si solar cells is currently accomplished by screen-printing fine lines of a Ag/PbO-glass paste amalgam (Ag-frit) onto the insulating SiNx antireflective coating (ARC) that lies atop the shallow n-type emitter layer of the cell. Upon annealing, the glass etches SiNx and permits the crystallization of Ag near the electrically-active emitter interface, thus contacting the cell. While entirely functional, the contact interface produced by Ag-frit metallization is non-ideal, and Ag metal itself is expensive; its use adds to overall solar cell costs. The following work explores the use of Ti-containing alloys as metallization media for c-Si solar cells. There is a -176 kJ [mol N]--1 free energy change associated with the conversion of Si3N4 to TiN. By combining Ti with a low-melting point metal, this reaction can take place at temperatures as low as 750°C in the bulk. Combinations of Ti with Cu, Sn, Ag, and Pb ternary and binary systems are investigated. On unmetallized, c-Si textured solar cells it is shown that 900 nm of stoichiometric Ti6Sn 5 is capable of converting the SiNx ARC to TiN and Ti5Si3, both of which are conducting materials with electrically low-barriers to contact with n-type Si. Alongside electron microscopy, specific contact resistivity (rho c) measurements are used to determine the interfacial quality of TiN/Ti5Si3 contacts to n-Si. Circular transmission line model (CTLM) measurements are utilized for the characterization of reacted Ag0.05Cu0.69Ti0.26, Sn0.35 Ag0.27Ti0.38, and Ti6Sn5 contacts. rhoc values as low as 26 muOcm 2 are measured for reacted Ti6Sn5-SiN x on conventional c-Si solar cells. This value is approximately 2-3 orders of magnitude lower than rhoc of contacts produced by traditional Ag-frit metallization. Viable 1x1 cm, Ti6Sn5-metallized solar cells on 5x5 cm substrates were fabricated through a collaboration with the Georgia Institute of Technology (GA Tech). Front-side metallization was performed

  13. Formation and characterization of two interconvertible side-on and end-on bonded beryllium ozonide complexes.

    Science.gov (United States)

    Zhou, Zijian; Li, Yuzhen; Zhuang, Jia; Wang, Guanjun; Chen, Mohua; Zhao, Yanying; Zheng, Xuming; Zhou, Mingfei

    2011-09-01

    The reactions of beryllium atoms with dioxygen were reinvestigated by matrix isolation infrared absorption spectroscopy. Besides the previously reported linear OBeO and cyclic Be(2)O(2) molecules, two interconvertible beryllium ozonide complexes were prepared and characterized. The BeOBe(η(2)-O(3)) complex was formed on annealing, which is characterized to be a side-on bonded ozonide complex with a planar C(2v) structure. The BeOBe(η(2)-O(3)) complex isomerized to the BeOBe(η(1)-O(3)) isomer under visible light excitation, which is an end-on bonded ozonide complex with planar C(s) symmetry. These two isomers are interconvertible; that is, visible light induces the conversion of the side-on bonded complex to the end-on bonded isomer, and vice versa on annealing. In addition, evidence is also presented for the linear BeOBeOBe cluster. PMID:21806010

  14. Epitaxial growth of 3C-SiC by using C{sub 60} as a carbon source; Untersuchungen zum epitaktischen Wachstum von 3C-SiC bei Verwendung einer C{sub 60}-Kohlenstoffquelle

    Energy Technology Data Exchange (ETDEWEB)

    Schreiber, Sascha

    2006-01-15

    Within this work epitaxial 3C-SiC-films were grown on Si(001) substrates and on ion beam synthesized 3C-SiC(001) pseudo substrates. A rather new process was used which is based on the simultaneous deposition of C60 and Si. In order to set up the necessary experimental conditions an ultra-high vacuum chamber has been designed and built. A RHEED system was used to examine SiC film growth in-situ. Using the described technique 3C-SiC films were grown void-free on Si(001) substrates. Deposition rates of C60 and Si were chosen adequately to maintain a Si:C ratio of approximately one during the deposition process. It was shown that stoichiometric and epitaxial 3C-SiC growth with the characteristic relationship (001)[110]Si(001)[110]3C-SiC could be achieved. TEM investigations revealed that the grown 3C-SiC films consist of individual grains that extend from the Si substrate to the film surface. Two characteristic grain types could be identified. The correlation between structure and texture of void-free grown 3C-SiC films and film thickness was studied by X-ray diffraction (XRD). Pole figure measurements showed that thin films only contain first-order 3C-SiC twins. With higher film thickness also second-order twins are found which are located as twin lamellae in grain type 2. Improvement of polar texture with increasing film thickness couldn't be observed in the investigated range of up to 550 nm. On ion beam synthesized 3C-SiC pseudo substrates homoepitaxial 3C-SiC growth could be demonstrated for the first time by using a C{sub 60} carbon source. In respect to the crystalline quality of the grown films the surface quality of the used substrates was identified as a crucial factor. Furthermore a correlation between the ratio of deposition rates of C{sub 60} and Si and 3C-SiC film quality could be found. Under silicon-rich conditions, i.e. with a Si:C ratio of slightly greater one, homoepitaxial 3C-SiC layer-by-layer growth can be achieved. Films grown under these

  15. Hydrogen bonded supramolecular structures

    CERN Document Server

    Li, Zhanting

    2015-01-01

    This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems  made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers. This book is designed to b

  16. A Study on Ablation Behavior of Needled C/SiC Composite Nozzle for Ramjet%冲压发动机针刺C/SiC喷管的烧蚀行为研究

    Institute of Scientific and Technical Information of China (English)

    李志永; 郑日恒; 李立翰; 刘小瀛; 陈超; 陈博; 陈静敏

    2013-01-01

    In order to explore the feasibility and ablation behavior of the three-dimensional needled C/SiC in the hybrid rocket ramjet,the C/SiC composite nozzle was experimentally investigated.The results show that the three-dimensional needled C/SiC composite nozzle can work safely under the oxygen-rich combustion environment of the ramjet for long test duration.No obvious oxidation is observed in the entrance and divergent section of the nozzle.Thermochemical ablation is the dominated ablation mechanism for the nozzle throat.Thermochemical ablation and thermal-mechanical erosion were suggested as ablation mechanism for the convergent section of the nozzle.Convergent section is the weakest part of the nozzle.Hence for the safety and reliability of the nozzle,the thickness of the three-dimensional needled C/SiC composite in different positions of the nozzle should be optimally designed for different working conditions and ablation mechanisms.%为探索C/SiC喷管在固液冲压发动机上应用的可行性以及固液冲压发动机工作环境下的烧蚀行为,对冲压发动机针刺C/SiC复合材料喷管进行了研究.研究结果表明:针刺C/SiC复合材料喷管能够适应冲压发动机富氧、长时间的工作环境;C/SiC复合材料喷管入口段和扩张段存在轻微的氧化,喉部以热化学烧蚀为主,收敛段以热化学烧蚀和热机械侵蚀为主;收敛段为整个喷管的薄弱环节,应根据不同的工作条件和烧蚀机理,对C/SiC喷管的厚度进行分别设计.

  17. Wall thickness design of combustion chamber for C/SiC composites rocket engine%C/SiC陶瓷基复合材料燃烧室壁厚设计与验证

    Institute of Scientific and Technical Information of China (English)

    刘彦杰; 马武军; 吴建军; 刘志泉

    2012-01-01

    C/SiC复合材料发动机具有重量轻、工作温度高等优势,已成为下一代高性能发动机的重要发展方向,其中C/SiC复合材料燃烧室的强度与壁厚设计是发动机设计的关键技术之一.本文以薄壳理论和第四强度理论为基础,以环向拉伸强度为基础数据,推导了C/SiC复合材料燃烧室壁厚计算公式,并对某型号发动机燃烧壁厚进行了计算.未验证计算结果准确性,利用复合材料燃烧室试件的爆破试验对计算结果进行了验证,并对根据计算结果研制的C/SiC复合材料燃烧室进行了热试车考核验证.本文提出的研究计算方法与结果对其他C/SiC复合材料燃烧室的壁厚设计具有指导意义.%Carbon fibers reinforced silicon carbide composites (C/SiC) are the most promising materials for next generation rocket engine components due to their unique properties, such as low densities and extremely high temperature resistance. The intensity and wall thickness design of C/SiC composites combustion chamber is one of the key tasks for rocket engine design. Based on the thin shell theory and the fourth intensity theory, this research deduced an ideal thickness calculation formula for composites chamber, which was used to calculate the wall thickness of a certain type of rocket engine combustion chamber. The validity of the formula was checked through subscale C/SiC tube by burst-test and thrust chamber by hot fire test. The formula and results proposed in this paper can be widely applied to the design of the wall thickness of C/SiC composites combustion chamber.

  18. Initial assessment of environmental effects on SiC/SiC composites in helium-cooled nuclear systems

    Energy Technology Data Exchange (ETDEWEB)

    Contescu, Cristian I [ORNL

    2013-09-01

    This report summarized the information available in the literature on the chemical reactivity of SiC/SiC composites and of their components in contact with the helium coolant used in HTGR, VHTR and GFR designs. In normal operation conditions, ultra-high purity helium will have chemically controlled impurities (water, oxygen, carbon dioxide, carbon monoxide, methane, hydrogen) that will create a slightly oxidizing gas environment. Little is known from direct experiments on the reactivity of third generation (nuclear grade) SiC/SiC composites in contact with low concentrations of water or oxygen in inert gas, at high temperature. However, there is ample information about the oxidation in dry and moist air of SiC/SiC composites at high temperatures. This information is reviewed first in the next chapters. The emphasis is places on the improvement in material oxidation, thermal, and mechanical properties during three stages of development of SiC fibers and at least two stages of development of the fiber/matrix interphase. The chemical stability of SiC/SiC composites in contact with oxygen or steam at temperatures that may develop in off-normal reactor conditions supports the conclusion that most advanced composites (also known as nuclear grade SiC/SiC composites) have the chemical resistance that would allow them maintain mechanical properties at temperatures up to 1200 1300 oC in the extreme conditions of an air or water ingress accident scenario. Further research is needed to assess the long-term stability of advanced SiC/SiC composites in inert gas (helium) in presence of very low concentrations (traces) of water and oxygen at the temperatures of normal operation of helium-cooled reactors. Another aspect that needs to be investigated is the effect of fast neutron irradiation on the oxidation stability of advanced SiC/SiC composites in normal operation conditions.

  19. Ion beam synthesis and characterization of large area 3C-SiC pseudo substrates for homo- and heteroepitaxy; Ionenstrahlsynthese und Charakterisierung grossflaechiger 3C-SiC-Pseudosubstrate fuer die Homo- und Heteroepitaxie

    Energy Technology Data Exchange (ETDEWEB)

    Haeberlen, Maik

    2006-12-15

    In this work, large area epitaxial 3C-SiC films on Si(100) and Si(111) were formed by ion beam synthesis and subsequently characterized for their structural and crystalline properties. These SiC/Si structures are meant to be used as SiC pseudosubstrates for the homo- and heteroepitaxial growth of other compound semiconductors. The suitability of these pseudosubstrates for this purpose was tested using various epitaxial systems and thin film growth methods. For this the homoepitaxial growth of 3C-SiC employing C{sub 60}-MBE and the heteroepitaxial growth of hexagonal GaN films grown by MOCVD and IBAMBA was studied in detail. The comparison of the structural and crystalline properties with data from literature enabled a qualified judgement of the potential of the 3C-SiC pseudosubstrates as an alternative substrate for the epitaxial growth of such films. These new 3C-SiC pseudosubstrates also enabled studies of other little known epitaxial systems: For the first time hexagonal ZnO films on (111) oriented pseudosubstrates were grown using PLD. The method if IBAMBE enabled the growth of cubic GaN layers on (100)-oriented pseudosubstrates. (orig.)

  20. Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb).

    Science.gov (United States)

    Wrubl, Federico; Manfrinetti, Pietro; Pani, Marcella; Solokha, Pavlo; Saccone, Adriana

    2016-01-01

    The crystal chemical features of the new series of compounds R6Mg23C with R = La-Sm or Gd and Ce6Mg23Z with Z = C, Si, Ge, Sn, Pb, P, As, or Sb have been studied by means of single-crystal and powder X-ray diffraction techniques. All phases crystallize with the cubic Zr6Zn23Si prototype (cF120, space group Fm3̅m, Z = 4), a filled variant of the Th6Mn23 structure. While no Th6Mn23-type binary rare earth-magnesium compound is known to exist, the addition of a third element Z (only 3 atom %), located into the octahedral cavity of the Th6Mn23 cell (Wyckoff site 4a), stabilizes this structural arrangement and makes possible the formation of the ternary R6Mg23Z compounds. The results of both structural and topological analyses as well as of LMTO electronic structure calculations show that the interstitial element plays a crucial role in the stability of these phases, forming a strongly bonded [R6Z] octahedral moiety spaced by zeolite cage-like [Mg45] clusters. Considering these two building units, the crystal structure of these apparently complex intermetallics can be simplified to the NaCl-type topology. Moreover, a structural relationship between RMg3 and R6Mg23C compounds has been unveiled; the latter can be described as substitutional derivatives of the former. The geometrical distortions and the consequent symmetry reduction that accompany this transformation are explicitly described by means of the Bärnighausen formalism within group theory.

  1. High-Temperature (1200-1400°C) Dry Oxidation of 3C-SiC on Silicon

    Science.gov (United States)

    Sharma, Y. K.; Li, F.; Jennings, M. R.; Fisher, C. A.; Pérez-Tomás, A.; Thomas, S.; Hamilton, D. P.; Russell, S. A. O.; Mawby, P. A.

    2015-11-01

    In a novel approach, high temperatures (1200-1400°C) were used to oxidize cubic silicon carbide (3C-SiC) grown on silicon substrate. High-temperature oxidation does not significantly affect 3C-SiC doping concentration, 3C-SiC structural composition, or the final morphology of the SiO2 layer, which remains unaffected even at 1400°C (the melting point of silicon is 1414°C). Metal-oxide-semiconductor capacitors (MOS-C) and lateral channel metal-oxide-semiconductor field-effect-transistors (MOSFET) were fabricated by use of the high-temperature oxidation process to study 3C-SiC/SiO2 interfaces. Unlike 4H-SiC MOSFET, there is no extra benefit of increasing the oxidation temperature from 1200°C to 1400°C. All the MOSFET resulted in a maximum field-effect mobility of approximately 70 cm2/V s.

  2. Impact of environment factors on solar cell parameters of a-Si parallel {mu}c-Si photovoltaic modules

    Energy Technology Data Exchange (ETDEWEB)

    Ichida, Kyoko; Fukushige, Shunichi; Minemoto, Takashi; Takakura, Hideyuki [College of Science and Engineering, Ritsumeikan University, 1-1-1 Nojihigashi, Kusatsu, Shiga 525-8577 (Japan); Nakajima, Akihiko [Kaneka Corporation, 2-1-1 Hieitsuji, Otsu, Shiga 520-0104 (Japan)

    2009-06-15

    The behavior of amorphous silicon parallel micro crystalline silicon (a-Si parallel {mu}c-Si) tandem-type photovoltaic (PV) module is complex because the output current is limited by the lower current component cell. Also, the outdoor behaviors are not fully understood. The impact of environment factors on solar cell parameters of a-Si parallel {mu}c-Si PV module was quantitatively analyzed and the module was compared with other silicon-based PV modules (single crystalline silicon (sc-Si) and amorphous silicon (a-Si)). The contour maps of solar cell parameters were constructed as a function of irradiance and module temperature. The contour map of a-Si parallel {mu}c-Si PV modules is similar to that of a-Si modules. The results imply that output characteristics of a-Si parallel {mu}c-Si PV modules are mainly influenced by the a-Si top cell. Furthermore, the efficiency of a-Si parallel {mu}c-Si PV modules was compared other solar cell parameters and the contour map of efficiency is similar to that of fill factor. (author)

  3. Neutron irradiation and frequency effects on the electrical conductivity of nanocrystalline silicon carbide (3C-SiC)

    Science.gov (United States)

    Huseynov, Elchin

    2016-09-01

    In this present work nanocrystalline silicon carbide (3C-SiC) has been irradiated with neutron flux (∼ 2 ×1013 ncm-2s-1) up to 20 hours at different periods. Electrical conductivity of nanocrystalline 3C-SiC particles (∼18 nm) is comparatively analyzed before and after neutron irradiation. The frequency dependencies of electrical conductivity of 3C-SiC nanoparticles is reviewed at 100 K-400 K temperature range before and after irradiation. The measurements were carried out at 0.1 Hz-2.5 MHz frequency ranges and at different temperatures. Radiation-induced conductivity (RIC) was observed in the nanocrystalline 3C-SiC particles after neutron irradiation and this conductivity study as a function of frequency are presented. The type of conductivity has been defined based on the interdependence between real and imaginary parts of electrical conductivity function. Based on the obtained results the mechanism behind the electrical conductivity of nanocrystalline 3C-SiC particles is explained in detail.

  4. Electron properties in directed self-assembly Ge/SiC/Si quantum dots

    Science.gov (United States)

    Yang, Dongyue

    Artificially ordered semiconductor quantum dot (QD) patterns may be used to implement functionalities such as spintronic bandgap systems, quantum simulation and quantum computing, by manipulating the interaction between confined carriers via direct exchange coupling. In this dissertation, magnetotransport measurements have been conducted to investigate the electronic orbital and spin states of directed self-assembly single- and few-Ge/SiC/Si QD devices, fabricated by a directed self-assembly QD growth technique developed by our group. Diamagnetic and Zeeman energy shifts of electrons confined around the QD have been observed from the magnetotransport experiments. A triple-barrier resonant tunneling model has been proposed to describe the electron and spin transport. The strength of the Coulomb interaction between electrons confined at neighboring QDs has been observed dependent on the dot separation, and represents an important parameter for fabricating QD-based molecules and artificial arrays, which may be implemented as building blocks for future quantum simulation and quantum computing architectures.

  5. Straight β-SiC nanorods synthesized by using C-Si-SiO2

    Science.gov (United States)

    Lai, H. L.; Wong, N. B.; Zhou, X. T.; Peng, H. Y.; Au, Frederick C. K.; Wang, N.; Bello, I.; Lee, C. S.; Lee, S. T.; Duan, X. F.

    2000-01-01

    Straight beta-silicon carbide nanorods have been grown on silicon wafers using hot filament chemical vapor deposition with iron particles as catalyst. A plate made of a C-Si-SiO2 powder mixture was used as carbon and silicon sources. Hydrogen, which was the only gas fed into the deposition system, acts both as a reactant and as a mass transporting medium. The diameter of the β-SiC nanorod ranged from 20 to 70 nm, while its length was approximately 1 μm. A growth mechanism of beta-silicon carbide nanorods was proposed. The field emission properties of the beta-silicon carbide nanorods grown on the silicon substrate are also reported.

  6. Oxidation-resistant interface coatings for SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Stinton, D.P.; Kupp, E.R.; Hurley, J.W. [and others

    1996-06-01

    The characteristics of the fiber-matrix interfaces in ceramic matrix composites control the mechanical behavior of these composites. Finite element modeling (FEM) was performed to examine the effect of interface coating modulus and coefficient of thermal expansion on composite behavior. Oxide interface coatings (mullite and alumina-titania) produced by a sol-gel method were chosen for study as a result of the FEM results. Amorphous silicon carbide deposited by chemical vapor deposition (CVD) is also being investigated for interface coatings in SiC-matrix composites. Processing routes for depositing coatings of these materials were developed. Composites with these interfaces were produced and tested in flexure both as-processed and after oxidation to examine the suitability of these materials as interface coatings for SiC/SiC composites in fossil energy applications.

  7. Glass-ceramic joining and coating of SiC/SiC for fusion applications

    International Nuclear Information System (INIS)

    The aim of this work is the joining and the coating of SiC/SiC composites by a simple, pressureless, low cost technique. A calcia-alumina glass-ceramic was chosen as joining and coating material, because its thermal and thermomechanical properties can be tailored by changing the composition, it does not contain boron oxide (incompatible with fusion applications) and it has high characteristic temperatures (softening point at about 1400 C). Furthermore, the absence of silica makes this glass-ceramic compatible with ceramic breeder materials (i.e. lithium-silicates, -alluminates or -zirconates). Coatings and joints were successfully obtained with Hi-Nicalon fiber-reinforced CVI silicon carbide matrix composite. Mechanical shear strength tests were performed on joined samples and the compatibility with a ceramic breeder material was examined. (orig.)

  8. Ultra-short pulse laser deep drilling of C/SiC composites in air

    Science.gov (United States)

    Wang, Chunhui; Zhang, Litong; Liu, Yongsheng; Cheng, Guanghua; Zhang, Qing; Hua, Ke

    2013-06-01

    Ultra-short pulse laser machining is an important finishing technology for high hardness materials. In this study, it demonstrated that the ultra-short pulse laser can be used to drill the film cooling holes and square holes in aero-engine turbine blades made of C/SiC composites. Both the edges and bottoms of the drilling holes are covered with small particles. The following factors have a great effect on drilling holes according to this work: (1) circular holes can be processed only at a relative small helical lines spacing. (2) With the increase of laser scanning speed, the depth of holes reduces while the diameter rarely changes. (3) Through the holes of high aspect ratio can be obtained via high processing power.

  9. CVD growth and characterization of 3C-SiC thin films

    Indian Academy of Sciences (India)

    A Gupta; D Paramanik; S Varma; C Jacob

    2004-10-01

    Cubic silicon carbide (3C-SiC) thin films were grown on (100) and (111) Si substrates by CVD technique using hexamethyldisilane (HMDS) as the source material in a resistance heated furnace. HMDS was used as the single source for both Si and C though propane was available for the preliminary carbonization. For selective epitaxial growth, patterned Si (100) substrates were used. The effect of different growth parameters such as substrate orientation, growth temperature, precursor concentration, etc on growth was examined to improve the film quality. The surface morphology, microstructure and crystallinity of grown films were studied using optical microscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD) analysis and X-ray photoelectron spectroscopy (XPS).

  10. Oxidation-resistant interface coatings for SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Stinton, D.P.; Kupp, E.R.; Hurley, J.W.; Lowden, R.A. [Oak Ridge National Lab., TN (United States)] [and others

    1996-08-01

    The characteristics of the fiber-matrix interfaces in ceramic matrix composites control the mechanical behavior of these composites. Finite element modeling (FEM) was performed to examine the effect of interface coating modulus and coefficient of thermal expansion on composite behavior. Oxide interface coatings (mullite and alumina-titania) produced by a sol-gel method were chosen for study as a result of the FEM results. Amorphous silicon carbide deposited by chemical vapor deposition (CVD) is also being investigated for interface coatings in SiC-matrix composites. Processing routes for depositing coatings of these materials were developed. Composites with these interfaces were produced and tested in flexure both as-processed and after oxidation to examine the suitability of these materials as interface coatings for SiC/SiC composites in fossil energy applications.

  11. Modeling of Melt-Infiltrated SiC/SiC Composite Properties

    Science.gov (United States)

    Mital, Subodh K.; Bednarcyk, Brett A.; Arnold, Steven M.; Lang, Jerry

    2009-01-01

    The elastic properties of a two-dimensional five-harness melt-infiltrated silicon carbide fiber reinforced silicon carbide matrix (MI SiC/SiC) ceramic matrix composite (CMC) were predicted using several methods. Methods used in this analysis are multiscale laminate analysis, micromechanics-based woven composite analysis, a hybrid woven composite analysis, and two- and three-dimensional finite element analyses. The elastic properties predicted are in good agreement with each other as well as with the available measured data. However, the various methods differ from each other in three key areas: (1) the fidelity provided, (2) the efforts required for input data preparation, and (3) the computational resources required. Results also indicate that efficient methods are also able to provide a reasonable estimate of local stress fields.

  12. Damage Characterization in SiC/SiC Composites using Electrical Resistance

    Science.gov (United States)

    Smith, Craig E.; Xia, Zhenhai

    2011-01-01

    SiC/SiC ceramic matrix composites (CMCs) under creep-rupture loading accumulate damage by means of local matrix cracks that typically form near a stress concentration, such as a 90o fiber tow or large matrix pore, and grow over time. Such damage is difficult to detect through conventional techniques. Electrical resistance changes can be correlated with matrix cracking to provide a means of damage detection. Sylramic-iBN fiber-reinforced SiC composites with both melt infiltrated (MI) and chemical vapor infiltrated (CVI) matrix types are compared here. Results for both systems exhibit an increase in resistance prior to fracture, which can be detected either in situ or post-damage.

  13. Porphyrin conjugated SiC/SiOx nanowires for X-ray-excited photodynamic therapy

    Science.gov (United States)

    Rossi, F.; Bedogni, E.; Bigi, F.; Rimoldi, T.; Cristofolini, L.; Pinelli, S.; Alinovi, R.; Negri, M.; Dhanabalan, S. C.; Attolini, G.; Fabbri, F.; Goldoni, M.; Mutti, A.; Benecchi, G.; Ghetti, C.; Iannotta, S.; Salviati, G.

    2015-01-01

    The development of innovative nanosystems opens new perspectives for multidisciplinary applications at the frontier between materials science and nanomedicine. Here we present a novel hybrid nanosystem based on cytocompatible inorganic SiC/SiOx core/shell nanowires conjugated via click-chemistry procedures with an organic photosensitizer, a tetracarboxyphenyl porphyrin derivative. We show that this nanosystem is an efficient source of singlet oxygen for cell oxidative stress when irradiated with 6 MV X-Rays at low doses (0.4-2 Gy). The in-vitro clonogenic survival assay on lung adenocarcinoma cells shows that 12 days after irradiation at a dose of 2 Gy, the cell population is reduced by about 75% with respect to control cells. These results demonstrate that our approach is very efficient to enhance radiation therapy effects for cancer treatments.

  14. High-performance a -Si/c-Si heterojunction photoelectrodes for photoelectrochemical oxygen and hydrogen evolution

    KAUST Repository

    Wang, Hsin Ping

    2015-05-13

    Amorphous Si (a-Si)/crystalline Si (c-Si) heterojunction (SiHJ) can serve as highly efficient and robust photoelectrodes for solar fuel generation. Low carrier recombination in the photoelectrodes leads to high photocurrents and photovoltages. The SiHJ was designed and fabricated into both photoanode and photocathode with high oxygen and hydrogen evolution efficiency, respectively, by simply coating of a thin layer of catalytic materials. The SiHJ photoanode with sol-gel NiOx as the catalyst shows a current density of 21.48 mA/cm2 at the equilibrium water oxidation potential. The SiHJ photocathode with 2 nm sputter-coated Pt catalyst displays excellent hydrogen evolution performance with an onset potential of 0.640 V and a solar to hydrogen conversion efficiency of 13.26%, which is the highest ever reported for Si-based photocathodes. © 2015 American Chemical Society.

  15. Mechanical Behavior and Analytical Modeling of Melt-Infiltrated SiC/SiC Woven Composite

    Science.gov (United States)

    Lang, J.; Sankar, J.; Kelkar, A. D.; Bhatt, R. T.; Baaklini, G.; Lua, J.

    1998-01-01

    The desirable properties in ceramic matrix composites (CMCs), such as high temperature strength, corrosion resistance, high toughness, low density, or good creep resistance have led to increased use of CMCs in high-speed engine structural components and structures that operate in extreme temperature and hostile aero-thermo-chemical environments. Ceramic matrix composites have been chosen for turbine material in the design of 21st century civil propulsion systems to achieve high fuel economy, improved reliability, extended life, and reduced cost. Most commercial CMCs are manufactured using a chemical vapor infiltration (CVI) process. However, a lower cost fabrication known as melt-infiltration process is also providing CMCs marked for use in hot sections of high-speed civil transports. Limited samples of a SiC/SiC melt-infiltrated woven composites are being investigated at room and elevated temperature below and above matrix cracking. These samples show graceful failure and toughness at room temperature with a reduction in strength and modulus at elevated temperatures. A generic finite element model is also being developed to predict monotonic and cyclic loading behavior of the woven composite. Use of the initial test data from the woven composite is being used for the development of the analytical model. This model is the first of a iterative process leading towards the development the model's capability to predict behavior at room and elevated temperature for monotonic and cyclic loading. The purpose of this paper is to report on the material and mechanical findings of the SiC/SiC melt-infiltrated woven composite and progress on the development of the finite element model.

  16. Electronic properties of {mu}c-Si:H layers investigated with Hall measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bronger, T.

    2007-02-28

    In the present work, the electronic properties of thin layers of PECVD-grown {mu}c-Si:H have been examined using the Hall effect. The main focus was on the mobility of the carriers because this is a crucial limiting factor for the electronic quality of this material, however, the density of free carriers as well as the conductivity were also determined. In order to get a picture as comprehensive as possible, a sample matrix was studied consisting of samples with different n-type doping levels and different crystallinities. Additionally, doped samples with artificially implanted defects which could be annealed gradually were investigated. All measurements have been made temperature-dependently. During the work, a new computer control and analysis program was developed from scratch for the Hall setup. It allows for high automation as well as comprehensive error estimation, both of which being very important for high ohmic samples. All samples showed a thermally activated mobility and carrier concentration, however, there is no single activation energy. Instead, all Arrhenius plots exhibited a more or less pronounced convex curvature. This curvature was identified with the parallel connection of a broad distribution of barriers in the material, which are limiting to the transport and are overcome by thermoionic emission. From this, the model of normally distributed barriers (NDB) was derived, mathematically investigated, and successfully applied to the experimental data of this work and (for not too highly doped samples) of other works. As a significant validation of the NDB model, the relative room-temperature mobility values could be calculated just from the Arrhenius slopes and curvatures. A very important dependence turned out to be mobility versus carrier concentration. In particular the annealed sample showed a clear {mu} {proportional_to} n{sup 1/2} behaviour, which could be backed with the sample matrix. Additionally, Hall measurements on HWCVD-grown {mu}c-Si

  17. Low temperature characteristic of ITO/SiO x /c-Si heterojunction solar cell

    Science.gov (United States)

    Du, H. W.; Yang, J.; Li, Y.; Gao, M.; Chen, S. M.; Yu, Z. S.; Xu, F.; Ma, Z. Q.

    2015-09-01

    Based on the temperature-dependent measurements and the numerical calculation, the temperature response of the photovoltaic parameters for a ITO/SiO x /c-Si heterojunction solar cell have been investigated in the ascending sorting of 10-300 K. Under unique energy concentrated photon irradiation with the wavelength of 405 nm and power density of 667 mW cm-2, it was found that the short-circuit current (I SC) was nonlinearly increased and the open-circuit voltage (V OC) decreased with temperature. The good passivation of the ITO/c-Si interface by a concomitant SiO x buffer layer leads to the rare recombination of carriers in the intermediate region. The inversion layer model indicated that the band gap of c-silicon was narrowed and the Fermi level of n-type silicon (E\\text{F}n ) tended to that of the intrinsic Fermi level (E\\text{F}i ) (in the middle of band gap) with the increase of the temperature, which lessened the built-in voltage (V D) and thus the V OC. However, the reduction by 90% of V OC is attributed to the shift of E\\text{F}n in c-silicon rather than the energy band narrowing. Through the analysis of the current-voltage relationship and the data fitting, we infer that the series resistance (R s) is not responsible for the increase of I SC, but the absorption coefficient and the depletion-width of c-silicon are the causes of the enhancing I SC. Mostly, the interaction of the photon-generated excess ‘cold hole’ and the acoustic phonon in n-Si would influence the variation of I ph or I SC with temperature.

  18. Overview of C/C-SiC Composite Development for the Orion Launch Abort System

    Science.gov (United States)

    Allen, Lee R.; Valentine, Peter G.; Schofield, Elizabeth S.; Beshears, Ronald D.; Coston, James E.

    2012-01-01

    Past and present efforts by the authors to further understanding of the ceramic matrix composite (CMC) material used in the valve components of the Orion Launch Abort System (LAS) Attitude Control Motor (ACM) will be presented. The LAS is designed to quickly lift the Orion Crew Exploration Vehicle (CEV) away from its launch vehicle in emergency abort scenarios. The ACM is a solid rocket motor which utilizes eight throttleable nozzles to maintain proper orientation of the CEV during abort operations. Launch abort systems have not been available for use by NASA on manned launches since the last Apollo ]Saturn launch in 1975. The CMC material, carbon-carbon/silicon-carbide (C/C-SiC), is manufactured by Fiber Materials, Inc. and consists of a rigid 4-directional carbon-fiber tow weave reinforced with a mixed carbon plus SiC matrix. Several valve and full system (8-valve) static motor tests have been conducted by the motor vendor. The culmination of these tests was the successful flight test of the Orion LAS Pad Abort One (PA ]1) vehicle on May 6, 2010. Due to the fast pace of the LAS development program, NASA Marshall Space Flight Center assisted the LAS community by performing a series of material and component evaluations using fired hardware from valve and full ]system development motor tests, and from the PA-1 flight ACM motor. Information will be presented on the structure of the C/C-SiC material, as well as the efficacy of various non ]destructive evaluation (NDE) techniques, including but not limited to: radiography, computed tomography, nanofocus computed tomography, and X-ray transmission microscopy. Examinations of the microstructure of the material via scanning electron microscopy and energy dispersive spectroscopy will also be discussed. The findings resulting from the subject effort are assisting the LAS Project in risk assessments and in possible modifications to the final ACM operational design.

  19. Impact Resistance of EBC Coated SiC/SiC Composites

    Science.gov (United States)

    Fox, Dennis S.; Bhatt, Ramakrishna T.; Choi, Sung R.; Cosgriff, Laura M.; Fox, Dennis s.; Lee, Kang N.

    2008-01-01

    Impact performance of 2-D woven SiC/SiC composites coated with 225 and 525 m thick environmental barrier coating (EBC) was investigated. The composites were fabricated by melt infiltration and the EBC was deposited by plasma spray. Impact tests were conducted at room temperature and at 1316 C in air using 1.59-mm diameter steel-balls at projectile velocities ranging from 110 to 375 m/s. Both microscopy and nondestructive evaluation (NDE) methods were used to determine the extent of damage in the substrate and coating with increasing projectile velocity. The impacted specimens were tensile tested at room temperature to determine their residual mechanical properties. At projectile velocities less than 125 m/s, no detectable damage was noticed in the MI SiC/SiC composites coated with 525 m EBC. With increase in projectile velocity beyond this value, spallation of EBC layers, delamination of fiber plies, and fiber fracture were detected. At a fixed projectile velocity, the composites coated with 525 m EBC showed less damage than the composite coated with 225 m EBC. Both types of EBC coated composites retained a large fraction of the baseline properties of as-fabricated composites and exhibited non-brittle failure after impact testing at projectile velocities up to 375 m/s. Exposure of impact tested specimens in a moisture environment at 1316 C for 500 hr indicated that the through-the-thickness cracks in the EBC coating and delamination cracks in the substrate generated after impact testing acted as conduits for internal oxidation.

  20. Study of the irradiation defects in 3C-SiC; Etude des defauts d'irradiation dans 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Lefevre, J. [Ecole Polytechnique, 91 - Palaiseau (France). Lab. CEA d' Etudes des Solides Irradies

    2007-07-01

    This work deals with the study of the irradiation defects in the cubic polytype 3C of the n type silicon carbide. Low temperature photoluminescence and electron spin resonance techniques have been used. In situ photoluminescence measurements after irradiation at 10 K by electrons have shown that the nature of the defects induced is identical to those observed after irradiation at ambient temperature with electrons, protons or carbon ions. No regeneration of these defects has been revealed after in situ annealings until 300 K. The electrons Van de Graff accelerator of the Irradiated Solid Laboratory has allowed to irradiate sample of 3C in a range of energies between 190 keV and 1 MeV. It has then been possible to estimate the appearance threshold of the irradiation defects but especially to be able to determine the displacement threshold energy of silicon in this SiC polytype. The found value of 25 eV is in good agreement with the first experimental result proposed by X. Kerbiriou with the use of the ESR. Annealings in the range of high temperatures have been carried out. The evolution of the irradiation defects has been followed in photoluminescence and in ESR. The results show that, in one part, the vacancy of the silicon negatively charged is essentially the only compensating defect in 3C-SiC of n type and that, in another part, the majority of the defects are annealed below 1200 C. Only the D1 defect remains after annealings until 1600 C. The D1 center is in fact a native defect in SiC; indeed, it has been identified alone in non irradiated samples. A systematic study of these last samples show the absence of D1 in samples strongly compensated. The compared results of photoluminescence and of positons annihilation are in good agreement for the possible attribution of D1 to the bi-vacancy V{sub C}-V{sub Si}. One of the most interesting result of this last work has been obtained using the ESR technique under excitation with a neodymium laser. The measurements

  1. Enhancement of Spectral Response in μc-Si1-xGex:H Thin-Film Solar Cells with a-Si:H/μc-Si:H P-Type Window Layers

    Directory of Open Access Journals (Sweden)

    Yen-Tang Huang

    2015-01-01

    Full Text Available The hydrogenated amorphous silicon (a-Si:H/hydrogenated microcrystalline silicon (μc-Si:H double p-type window layer has been developed and applied for improving microcrystalline silicon-germanium p-i-n single-junction thin-film solar cells deposited on textured SnO2:F-coated glass substrates. The substrates of SnO2:F, SnO2:F/μc-Si:H(p, and SnO2:F/a-Si:H(p were exposed to H2 plasma to investigate the property change. Our results showed that capping a thin layer of a-Si:H(p on SnO2:F can minimize the Sn reduction during the deposition process which had H2-containing plasma. Optical measurement has also revealed that a-Si:H(p capped SnO2:F glass had a higher optical transmittance. When the 20 nm μc-Si:H(p layer was replaced by a 3 nm a-Si:H(p/17 nm μc-Si:H(p double window layer in the cell, the conversion efficiency (η and the short-circuit current density (JSC were increased by 16.6% and 16.4%, respectively. Compared to the standard cell with the 20 nm μc-Si:H(p window layer, an improved conversion efficiency of 6.19% can be obtained for the cell having a-Si:H(p/μc-Si:H(p window layer, with VOC = 490 mV, JSC = 19.50 mA/cm2, and FF = 64.83%.

  2. Multi-frequency EDMR studies of light-activated paramagnetic centers in μc-Si:H thin-film solar cells

    International Nuclear Information System (INIS)

    This thesis presents a comprehensive study of paramagnetic centers in fully-processed microcrystalline silicon (μc-Si:H) thin-film solar cells. The heterogeneous material gives rise to a complex band structure with deep defects in the middle of the energy band gap as well as localized states close to the energy band edges. They can act as recombination centers and traps and, thereby, influence the charge transport of photogenerated charge carriers. Thus, they diminish the performance of the cell. To reduce the disadvantageous influence of the defect states on the cell efficiency, a detailed understanding of the charge transport processes via these states is necessary. In this work, light-activated paramagnetic centers are studied with electrically detected magnetic resonance (EDMR) at various microwave frequencies. This technique combines electron paramagnetic resonance spectroscopy (EPR) with the photocurrent measurement in the solar cell, thus, delivering information about the transport processes and magnetic parameters of the involved defect states. Multi-frequency EDMR at low temperatures reveals four paramagnetic states in μc-Si:H. Dangling bond (db) defects and holes in valence band tail (h) states are located in the disordered phase, whereas so-called CE and V states originate from the crystalline phase. The multi-frequency approach allows for a separation of field-dependent and -independent line widths. All EDMR signals are affected by line broadening due to spin-spin interaction, which could be used to estimate mean inter-spin distances of around ∼ 0.5 nm for the V center and of ∼ 1-2 nm for the remaining centers. Based on the strong spin-spin coupling and on transient nutation experiments the V signal could be correlated with a vacancy site in its excited triplet state. From the particular properties of the CE line it was concluded that the corresponding states are located in inversion layers and potential wells close to the conduction band of

  3. Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions.

    Science.gov (United States)

    Fujimoto, Noriko; Matsumura, Mio; Azumaya, Isao; Nishiyama, Shizuka; Masu, Hyuma; Kagechika, Hiroyuki; Tanatani, Aya

    2012-05-18

    Chiral properties of bowl-shaped cyclic triamides bearing functional groups with hydrogen-bonding ability were examined. Chiral induction of cyclic triamide 3a was observed by addition of chiral amine in solution, and chiral separation was achieved by simple crystallization to afford chiral capsule-type dimer structure of 4a.

  4. Creep Behavior of Hafnia and Ytterbium Silicate Environmental Barrier Coating Systems on SiC/SiC Ceramic Matrix Composites

    Science.gov (United States)

    Zhu, Dongming; Fox, Dennis S.; Ghosn, Louis J.; Harder, Bryan

    2011-01-01

    Environmental barrier coatings will play a crucial role in future advanced gas turbine engines because of their ability to significantly extend the temperature capability and stability of SiC/SiC ceramic matrix composite (CMC) engine components, thus improving the engine performance. In order to develop high performance, robust coating systems for engine components, appropriate test approaches simulating operating temperature gradient and stress environments for evaluating the critical coating properties must be established. In this paper, thermal gradient mechanical testing approaches for evaluating creep and fatigue behavior of environmental barrier coated SiC/SiC CMC systems will be described. The creep and fatigue behavior of Hafnia and ytterbium silicate environmental barrier coatings on SiC/SiC CMC systems will be reported in simulated environmental exposure conditions. The coating failure mechanisms will also be discussed under the heat flux and stress conditions.

  5. Substrate Controlled Synthesis of Benzisoxazole and Benzisothiazole Derivatives via PhI(OAc)2-Mediated Oxidation Followed by Intramolecular Oxidative O-N/S-N Bond Formation.

    Science.gov (United States)

    Anand, Devireddy; Patel, Om P S; Maurya, Rahul K; Kant, Ruchir; Yadav, Prem P

    2015-12-18

    A phenyliodine(III) diacetate (PIDA)-mediated, highly efficient and tandem approach for the synthesis of aryldiazenylisoxazolo(isothiazolo)arenes from simple 2-amino-N'-arylbenzohydrazides has been developed. The reaction proceeds via formation of (E)-(2-aminoaryl)(aryldiazenyl)methanone as the key intermediate, followed by intramolecular oxidative O-N/S-N bond formation in one pot at room temperature. The quiet different reactivity of the substrate is due to the formation of a diazo intermediate which encounters a nucleophilic attack by carbonyl oxygen on the electrophilic amine to produce isoxazole products, as compared to the previous reportsa,b,4 in which an N-acylnitrenium ion intermediate is intramolecularly trapped by an amine group. PMID:26565748

  6. New chromogenic and fluorogenic reagents and sensors for neutral and ionic analytes based on covalent bond formation--a review of recent developments.

    Science.gov (United States)

    Mohr, Gerhard J

    2006-11-01

    To date, hydrogen bonding and Coulomb, van der Waals and hydrophobic interactions are the major contributors to non-covalent analyte recognition using ionophores, ligands, aptamers and chemosensors. However, this article describes recent developments in the use of (reversible) covalent bond formation to detect analyte molecules, with special focus on optical signal transduction. Several new indicator dyes for analytes such as amines and diamines, amino acids, cyanide, formaldehyde, hydrogen peroxide, organophosphates, nitrogen oxide and nitrite, peptides and proteins, as well as saccharides have become available. New means of converting analyte recognition into optical signals have also been introduced, such as colour changes of chiral nematic layers. This article gives an overview of recent developments and discusses response mechanisms, selectivity and sensitivity. PMID:17039383

  7. Characterization of μc-Si:H/a-Si:H tandem solar cell structures by spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    In order to perform the structural characterization of Si thin-film solar cells having submicron-size rough textured surfaces, we have developed an optical model that can be utilized for the spectroscopic ellipsometry (SE) analysis of a multilayer solar cell structure consisting of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon (μc-Si:H) layers fabricated on textured SnO2:F substrates. To represent the structural non-uniformity in the textured structure, the optical response has been calculated from two regions with different thicknesses of the Si layers. Moreover, in the optical model, the interface layers are modeled by multilayer structures assuming two-phase composites and the volume fractions of the phases in the layers are controlled by the structural curvature factor. The polarized reflection from the μc-Si:H layer that shows extensive surface roughening during the growth has also been modeled. In this study, a state-of-the-art solar cell structure with the textured μc-Si:H (2000 nm)/ZnO (100 nm)/a-Si:H (200 nm)/SnO2:F/glass substrate structure has been characterized. The μc-Si:H/a-Si:H textured structure deduced from our SE analysis shows remarkable agreement with that observed by transmission electron microscopy. From the above results, we have demonstrated the high-precision characterization of highly-textured μc-Si:H/a-Si:H solar cell structures. - Highlights: • Characterization of textured μc-Si:H/a-Si:H solar cell structures by ellipsometry • A new optical model using surface area and multilayer models • High precision characterization of submicron-range rough interface structures

  8. Wet Friction and Wear Properties of C/C-SiC Composites During Different Braking Speeds%C/C-SiC材料不同制动速率下的湿式摩擦磨损性能

    Institute of Scientific and Technical Information of China (English)

    李专; 肖鹏; 岳静; 熊翔

    2013-01-01

    以炭纤维针刺毡为预制体,先采用化学气相渗透法制备炭基体,然后采用熔融渗硅法制备SiC基体,得到C/C-SiC摩擦材料;利用MM-1000型惯性试验台研究了C/C-SiC材料在不同制动速度下干态和CD15W-40柴油机油润滑状态下的摩擦磨损性能.研究结果表明:C/C-SiC摩擦材料与水的接触角为80.5°左右,为亲油性材料;C/C-SiC材料在CD15W40柴油机油润滑状态下,随制动速度从3000r/min升高到6000r/min,其摩擦因数和线性磨损量在4000r/min时达到最大值,分别是0.21μm/cycle和1.1μm/cycle,而在5000r/min和6000r/min时,其摩擦因数均为0.17,线性磨损量均为0;C/C-SiC摩擦材料在湿态条件下能保持较高的摩擦因数,制动曲线平稳,磨损率低,可作为新一代工程机械和重型车辆湿式离合器用摩擦材料的候选材料.%Carbon fibre reinforced carbon and silicon carbide dual matrix composites (C/C-SiC) were fabricated by the combination of chemical vapor infiltration (CVI) with liquid silicon infiltration (LSI). The tribological behaviors of the C/C-SiC composite were investigated using an MM-1000 friction and wear tester, at different braking speeds under dry and machine oil lubricating conditions. The results indicate that the contact angle between C/C-SiC and distilled water is about 80. 5°, which means the C/C-SiC are lipophilic materials. In the CD15W-40 diesel engine oil lubrication condition, with the brake speeds increasing from 3000r/min to 6000r/min, the coefficient of friction (COF) and linear wear of C/C-SiC reach the maximum value of 0. 21μm/cycle and 1. lμm/cycle respectively, at 4000r/min. When the brake speeds are 5000r/min and 6000r/min, the COF and the linear wear are 0. 17 and 0, respectively. C/C-SiC maintains a relatively high COF, smooth braking curves and lower wear rate in wet conditions, which can be used as candidate materials for wet clutch of new generation of construction machinery and heavy vehicles.

  9. Variation of carrier concentration and interface trap density in 8MeV electron irradiated c-Si solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, Sathyanarayana, E-mail: asharao76@gmail.com; Rao, Asha, E-mail: asharao76@gmail.com [Department of Physics, Mangalore Institute of Technology and Engineering, Moodabidri, Mangalore-574225 (India); Krishnan, Sheeja [Department of Physics, Sri Devi Institute of Technology, Kenjar, Mangalore-574142 (India); Sanjeev, Ganesh [Microtron Centre, Department of Physics, Mangalore University, Mangalagangothri-574199 (India); Suresh, E. P. [Solar Panel Division, ISRO Satellite Centre, Bangalore-560017 (India)

    2014-04-24

    The capacitance and conductance measurements were carried out for c-Si solar cells, irradiated with 8 MeV electrons with doses ranging from 5kGy – 100kGy in order to investigate the anomalous degradation of the cells in the radiation harsh environments. Capacitance – Voltage measurements indicate that there is a slight reduction in the carrier concentration upon electron irradiation due to the creation of radiation induced defects. The conductance measurement results reveal that the interface state densities and the trap time constant increases with electron dose due to displacement damages in c-Si solar cells.

  10. Free-Radical Triggered Ordered Domino Reaction: An Approach to C-C Bond Formation via Selective Functionalization of α-Hydroxyl-(sp(3))C-H in Fluorinated Alcohols.

    Science.gov (United States)

    Xu, Zhengbao; Hang, Zhaojia; Liu, Zhong-Quan

    2016-09-16

    A free-radical mediated highly ordered radical addition/cyclization/(sp(3))C-C(sp(3)) formation domino reaction is developed. Three new C-C bonds are formed one by one in a mixed system. Furthermore, it represents the first example of cascade C-C bond formation via selective functionalization of α-hydroxyl-C(sp(3))-H in fluorinated alcohols.

  11. Tensile Constitutive Model of 2D-SiC/SiC Ceramic Matrix Composites%2D-SiC/SiC陶瓷基复合材料的拉伸本构模型研究

    Institute of Scientific and Technical Information of China (English)

    李潘; 王波; 甄文强

    2013-01-01

    通过单向拉伸试验,研究了2D-SiC/SiC复合材料的应力-应变行为.结果表明,材料单向拉伸应力-应变曲线表现出明显的双线性特征,且线弹性段较长.通过试件断口照片,分析了2D-SiC/SiC复合材料单向拉伸破坏机理和损伤模式.基于对损伤过程的假设,建立了二维连续纤维增强陶瓷基复合材料的双线性本构模型,并将其应用于2D-SiC/SiC复合材料的应力-应变曲线模拟,模拟结果与试验值吻合很好.同时,分析计算表明,2D-SiC/SiC复合材料的单轴拉伸行为主要由纵向纤维柬决定,横向纤维对材料的整体模量和强度贡献很小.

  12. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Brymora, Katarzyna [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Fouineau, Jonathan; Eddarir, Asma; Chau, François [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Yaacoub, Nader; Grenèche, Jean-Marc [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France); Pinson, Jean; Ammar, Souad [Université Paris Diderot, Sorbonne Paris Cité, ITODYS CNRS UMR 7086 (France); Calvayrac, Florent, E-mail: florent.calvayrac@univ-lemans.fr [LUNAM Université du Maine, IMMM UMR CNRS 6283 (France)

    2015-11-15

    Combining ab initio modeling and {sup 57}Fe Mössbauer spectrometry, we characterized the nature of the chemical linkage of aminoalkyl arenediazonium salt on the surface of iron oxide nanoparticles. We established that it is built through a metal–oxygen–carbon bonding and not a metal–carbon one, as usually suggested and commonly observed in previously studied metal- or carbon-based surfaces.

  13. Hydrogen bonding of the dissociated histidine ligand is not required for formation of a proximal NO adduct in cytochrome c'.

    Science.gov (United States)

    Ghafoor, Dlzar D; Kekilli, Demet; Abdullah, Gaylany H; Dworkowski, Florian S N; Hassan, Hamid G; Wilson, Michael T; Strange, Richard W; Hough, Michael A

    2015-09-01

    Cytochromes c', that occur in methanotrophic, denitrifying and photosynthetic bacteria, form unusual proximal penta-coordinate NO complexes via a hexa-coordinate distal NO intermediate. Their NO binding properties are similar to those of the eukaryotic NO sensor, soluble guanylate cyclase, for which they provide a valuable structural model. Previous studies suggested that hydrogen bonding between the displaced proximal histidine (His120) ligand (following its dissociation from heme due to trans effects from the distally bound NO) and a conserved aspartate residue (Asp121) could play a key role in allowing proximal NO binding to occur. We have characterized three variants of Alcaligenes xylosoxidans cytochrome c' (AXCP) where Asp121 has been replaced by Ala, Ile and Gln, respectively. In all variants, hydrogen bonding between residue 121 and His120 is abolished yet 5-coordinate proximal NO species are still formed. Our data therefore demonstrate that the His120-Asp121 bond is not essential for proximal NO binding although it likely provides an energy minimum for the displaced His ligand. All variants have altered proximal pocket structure relative to native AXCP. PMID:26100643

  14. C-C Bond Formation: Synthesis of C5 Substituted Pyrimidine and C8 Substituted Purine Nucleosides Using Water Soluble Pd-imidate Complex.

    Science.gov (United States)

    Gayakhe, Vijay; Ardhapure, Ajaykumar V; Kapdi, Anant R; Sanghvi, Yogesh S; Serrano, Jose Luis; Schulzke, Carola

    2016-01-01

    The synthesis of a highly efficient, water soluble [Pd(Sacc)2 (TPA)2 ] complex for C-C bond formation is described. Additionally, application of the [Pd(Sacc)2 (TPA)2 ] complex for Suzuki-Miyaura arylation of all four nucleosides (5-iodo-2'-deoxyuridine [5-IdU], 5-iodo-2'-deoxycytidine [5-IdC], 8-bromo-2'-deoxyadenosine, and 8-bromo-2'-deoxyguanosine) with various aryl/heteroaryl boronic acids in plain water under milder conditions is demonstrated. © 2016 by John Wiley & Sons, Inc. PMID:27248782

  15. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.

    Science.gov (United States)

    Dziedzic, Rafal M; Saleh, Liban M A; Axtell, Jonathan C; Martin, Joshua L; Stevens, Simone L; Royappa, A Timothy; Rheingold, Arnold L; Spokoyny, Alexander M

    2016-07-27

    Carboranes are boron-rich molecules that can be functionalized through metal-catalyzed cross-coupling. Here, for the first time, we report the use of bromo-carboranes in palladium-catalyzed cross-coupling for efficient B-N, B-O, and unprecedented B-CN bond formation. In many cases bromo-carboranes outperform the traditionally utilized iodo-carborane species. This marked difference in reactivity is leveraged to circumvent multistep functionalization by directly coupling small nucleophiles (-OH, -NH2, and -CN) and multiple functional groups onto the boron-rich clusters. PMID:27384544

  16. On-line gas needling joining method for C/SiC composites%C/SiC复合材料的在线气相穿刺连接

    Institute of Scientific and Technical Information of China (English)

    童巧英; 成来飞

    2014-01-01

    提出了一种C/SiC复合材料的连接方法:在线气相穿刺连接。该方法是在C/SiC复合材料制备的最后一步--SiC沉积过程中,对待连接件进行C纤维束穿刺,穿刺后继续沉积SiC,最终在完成复合材料制备的同时,结束复合材料的连接过程。采用该方法,对2D和3D C/SiC复合材料进行了在线气相穿刺连接。结果表明:在线气相穿刺连接所得接头热物理和热化学相容性好,连接应力低,拉伸强度可达82 MPa,连接过程不影响构件的使用温度,是一种适合于纤维增韧陶瓷基复合材料的连接方法。%An on-line gas needling joining method was developed for C/SiC composites. The joining process was carried out during the last step of the C/SiC composite preparation--SiC deposition process, the puncture of C fiber bundle on the joining component was made, then the process of SiC deposition continued until the completion of the C/SiC composites preparation and the joining process finished. 2D and 3D C/SiC composites were joined with on-line gas needling joining process. The results show that the obtained joints have favorable thermal physical and thermal chemical compatibility. The stress at the joints is low and the tensile strength is high up to 82 MPa. The joining process doesn’t affect the employment temperature of the joining component, and is suitable for joining of fiber reinforced ceramic matrix composites.

  17. SiC-Si-ZrSiO4 Multiphase Oxidation Protective Coating for Carbon/Carbon Composites

    Institute of Scientific and Technical Information of China (English)

    Yulei ZHANG; Hejun LI; Qiangang FU; Kezhi LI; Dangshe HOU

    2008-01-01

    In order to improve the anti-oxidation property of carbon/carbon (C/C) composites,a novel SiC-Si-ZrSiO4 multiphase oxidation protective coating was produced on the surface of C/SiC coated carbon/carbon compos-ites by a pack cementation technique.The phase composition and microstructure of the as-prepared coatings were characterized by XRD (X-ray diffraction),SEM (scanning electron microscopy) and EDS (energy dis-persive spectroscopy).Oxidation behavior of the multiphase coated C/C composites was also investigated.It showed that the as-prepared coating characterized by excellent oxidation resistance and thermal shock re-sistance could effectively protect C/C composites from oxidation at 1773 K for 57 h in air and endure the thermal cycle between 1773 K and room temperature for 12 times,whereas the corresponding weight loss is only 1.47%.The excellent oxidation protective ability of the SiC-Si-ZrSiO4 coating could be attributed to the C/SiC gradient inner layer and the multiphase microstructure of the coating.

  18. The effect of grain size and phosphorous-doping of polycrystalline 3C-SiC on infrared reflectance spectra

    Energy Technology Data Exchange (ETDEWEB)

    Rooyen, I.J. van, E-mail: Isabella.vanRooyen@inl.gov [Fuel Performance and Design Department, Idaho National Laboratory, Idaho Falls, ID 83415-6188 (United States); Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Engelbrecht, J.A.A. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Henry, A.; Janzen, E. [Department of Physics, Chemistry and Biology, Semiconductor Materials, Linkoeping University, Linkoeping 58183 (Sweden); Neethling, J.H. [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Rooyen, P.M. van [Philip M van Rooyen Network Consultants, Midlands Estates (South Africa)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer IR is investigated as a technique to measure grain size and P-doping of polycrystalline SiC. Black-Right-Pointing-Pointer Infrared plasma minima can be used to determine doping levels in 3C-SiC for doping levels greater than 5 Multiplication-Sign 10{sup 17} cm{sup -3}. Black-Right-Pointing-Pointer A linear relationship is found between FWHM and the inverse of grain size of 3C-SiC irrespective of P-doping level. Black-Right-Pointing-Pointer It is further found that {omega}{sub p} is not influenced by the grain size. Black-Right-Pointing-Pointer P-doping level has no significant effect on the linear relationship between grain size and surface roughness. - Abstract: The effect of P-doping and grain size of polycrystalline 3C-SiC on the infrared reflectance spectra is reported. The relationship between grain size and full width at half maximum (FWHM) suggest that the behavior of the 3C-SiC with the highest phosphorous doping level (of 1.2 Multiplication-Sign 10{sup 19} at. cm{sup -3}) is different from those with lower doping levels (<6.6 Multiplication-Sign 10{sup 18} at. cm{sup -3}). It is also further demonstrated that the plasma resonance frequency ({omega}{sub p}) is not influenced by the grain size.

  19. Effective Passivation of C-Si by Intrinsic A-Si:h Layer for hit Solar Cells

    Directory of Open Access Journals (Sweden)

    Shahaji More

    2011-01-01

    Full Text Available The influence of HF solution etching on surface roughness of c-Si wafer was investigated using AFM. Ultra thin(2-3 nm intrinsic a-Si:H is necessary to achieve high VOC and Fill factor, as it effectively passivates the defects on the surface of c-Si and increase tunneling probability of minority charge carriers. However, to achieve control over ultra-thin intrinsic a-Si:H layer thickness and passivation properties, the films were deposited by Hot-wire CVD. We used tantalum filament and silane (SiH4 as a precursor gas, where as the deposition parameter such as filament temperature temperature was varied. The deposition rate, Dark and Photoconductivity were measured for all the films. The optimized intrinsic a-Si:H layer was inserted between p typed doped layers and n type c-Si wafers to fabricate HIT solar cells. The Current-Voltage characteristics were studied to understand the passivation effect of intrinsic layer on c-Si surface. The high saturation current density (Jsat > 10–7 A/cm2 and Ideality factor (n > 2 were observed. We achieved the efficiency of 3.28 % with the optimized intrinsic and doped a-Si:H layers using HWCVD technique.

  20. Modelling on c-Si/a-Si:H wire solar cells: some key parameters to optimize the photovoltaic performance

    Directory of Open Access Journals (Sweden)

    Alvarez J.

    2012-07-01

    Full Text Available Solar cells based on silicon nano- or micro-wires have attracted much attention as a promising path for low cost photovoltaic technology. The key point of this structure is the decoupling of the light absorption from the carriers collection. In order to predict and optimize the performance potential of p- (or n- doped c-Si/ n-(or p- doped a-Si:H nanowire-based solar cells, we have used the Silvaco-Atlas software to model a single-wire device. In particular, we have noticed a drastic decrease of the open-circuit voltage (Voc when increasing the doping density of the silicon core beyond an optimum value. We present here a detailed study of the parameters that can alter the Voc of c-Si(p/a-Si:H (n wires according to the doping density in c-Si. A comparison with simulation results obtained on planar c-Si/a-Si:H heterojunctions shows that the drop in Voc, linked to an increase of the dark current in both structures, is more pronounced for radial junctions due to geometric criteria. These numerical modelling results have lead to a better understanding of transport phenomena within the wire.

  1. Recent Progress of SiC-Fibers and SiC/SiC-Composites for Fusion Applications

    Science.gov (United States)

    Noda, T.; Kohyama, A.; Katoh, Y.

    Recent progress in R&D of SiC fibers and reinforced SiC matrix (SiC/SiC) composites in Japan, especially focusing on the activities of CREST-ACE program, is presented. Firstly, the present status of high performance SiC fiber development, such as Hi-Nicalon Type-S and Tyrano-SA, is provided. The high performance SiC matrix production by reaction sintering (RS) method improved in both strength and thermal conductivity are accomplished. The efforts to make appropriate fiber-matrix interfacial microstructure by CVI and PIP methods have been successful, resulting in the production of high strength and high fracture toughness SiC/SiC composites. Several joining processes using PIP, RS and mechanical fastener for composites are introduced. Dimensional stability under radiation damage has been studied by neutron and charged particle irradiation. The SiC/SiC composites prepared with Type-S SiC fiber with a stoichiometric composition did not exhibit mechanical property degradation. Based on the development of SiC composites, test module concepts to verify the advanced fluid systems including SiC/SiC/Be/He coolant blanket are presented.

  2. Effect of heat treatment on microstructure and mechanical properties of PIP-SiC/SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Shuang, E-mail: zhsh6007@126.com [Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China); School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom); Zhou, Xingui; Yu, Jinshan [Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China); Mummery, Paul [School of Mechanical, Aerospace, and Civil Engineering, University of Manchester, Manchester M13 9PL (United Kingdom)

    2013-01-01

    Continuous SiC fibre reinforced SiC matrix composites (SiC/SiC) have been studied as materials for heat resistant and nuclear applications. Thermal stability is one of the key issues for SiC/SiC composites. In this study, 3D SiC/SiC composites are fabricated via the polymer impregnation and pyrolysis (PIP) process, and then heat treated at 1400 Degree-Sign C, 1600 Degree-Sign C and 1800 Degree-Sign C in an inert atmosphere for 1 h, respectively. The effect of heat treatment on microstructure and mechanical properties of the composites is investigated. The results indicate that the mechanical properties of the SiC/SiC composites are significantly improved after heat treatment at 1400 Degree-Sign C mainly because the mechanical properties of the matrix are greatly improved due to crystallisation. With the increasing of heat treatment temperature, the properties of the composites are conversely decreased because of severe damage of the fibres and the matrix.

  3. The Molybdenum Active Site of Formate Dehydrogenase Is Capable of Catalyzing C-H Bond Cleavage and Oxygen Atom Transfer Reactions.

    Science.gov (United States)

    Hartmann, Tobias; Schrapers, Peer; Utesch, Tillmann; Nimtz, Manfred; Rippers, Yvonne; Dau, Holger; Mroginski, Maria Andrea; Haumann, Michael; Leimkühler, Silke

    2016-04-26

    Formate dehydrogenases (FDHs) are capable of performing the reversible oxidation of formate and are enzymes of great interest for fuel cell applications and for the production of reduced carbon compounds as energy sources from CO2. Metal-containing FDHs in general contain a highly conserved active site, comprising a molybdenum (or tungsten) center coordinated by two molybdopterin guanine dinucleotide molecules, a sulfido and a (seleno-)cysteine ligand, in addition to a histidine and arginine residue in the second coordination sphere. So far, the role of these amino acids in catalysis has not been studied in detail, because of the lack of suitable expression systems and the lability or oxygen sensitivity of the enzymes. Here, the roles of these active site residues is revealed using the Mo-containing FDH from Rhodobacter capsulatus. Our results show that the cysteine ligand at the Mo ion is displaced by the formate substrate during the reaction, the arginine has a direct role in substrate binding and stabilization, and the histidine elevates the pKa of the active site cysteine. We further found that in addition to reversible formate oxidation, the enzyme is further capable of reducing nitrate to nitrite. We propose a mechanistic scheme that combines both functionalities and provides important insights into the distinct mechanisms of C-H bond cleavage and oxygen atom transfer catalyzed by formate dehydrogenase. PMID:27054466

  4. FRACTURE RESISTANCE OF 3D-C/SiC COMPOSITES AT 1300℃

    Institute of Scientific and Technical Information of China (English)

    G.C.Ji; S.R.Qiao; S.M.Du; M.Li; D.Han; J.N.Wei

    2004-01-01

    Based on the energy conservation, the elastic energy linked to the compliance change,non-elastic energy dissipated by irreversible deformation and the resistance for crack propagation were quantitatively characterized by evaluation the load/load point displacement curves tested by three points bend experiment with single notch beam at 1300℃. The cracks length was determined by compliance calibration curves. It is shown by experimental results that the compliance of 3D-C/SiC composites changes with the cracks can be described by third order polynomial. The variation of crack advancing resistance with non-dimensional equivalent crack length presents a convex curve. The crack advancing resistance increases firstly and then decreases with the non-dimensional equivalent crack length, finally is in comparatively low level. The maximum values of crack advancing resistance are 269.73k J/m2 for nondimensional equivalent crack length of 0.318 and original notch length of 0.35mm,and 138.65k J/m2 for non-dimensional equivalent crack length of 0.381 and original notch length of 2.06mm, respectively.

  5. Understanding Light-Induced Degradation of c-Si Solar Cells: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Sopori, B.; Basnyat, P.; Devayajanam, S.; Shet, S.; Mehta, V.; Binns, J.; Appel, J.

    2012-06-01

    We discuss results of our investigations toward understanding bulk and surface components of light-induced degradation (LID) in low-Fe c-Si solar cells. The bulk effects, arising from boron-oxygen defects, are determined by comparing degradation of cell parameters and their thermal recovery, with that of the minority-carrier lifetime (964;) in sister wafers. We found that the recovery of 964; in wafers takes a much longer annealing time compared to that of the cell. We also show that cells having SiN:H coating experience a surface degradation (ascribed to surface recombination). The surface LID is seen as an increase in the q/2kT component of the dark saturation current (J02). The surface LID does not recover fully upon annealing and is attributed to degradation of the SiN:H-Si interface. This behavior is also exhibited by mc-Si cells that have very low oxygen content and do not show any bulk degradation.

  6. Network structure and its effects on the strength of Fe-C-Si-Mn alloy castings

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ding-fei; PENG Jian; XU Xing-zhi

    2004-01-01

    Fe-C-Si-Mn alloy castings used as blades in hydroelectric generators are studied and found to contain network structures after some heat treatments. Castings after annealing and normalizing were analyzed by microscope and transmission electron microscopy (TEM). The network formed during annealing was proved by TEM to be pearlite with very fine slices, while that formed during normalizing was proved by TEM and micro-hardness to be martensite or bainite. A theoretical analysis together with experimental studies has proved that the pearlite network is caused by carbon content increase in the interdendritic regions to which carbon atoms transfered from dendritic arms due to lower manganese content there during annealing, while the martensite or bainite network results from the higher hardenability of interdendritic regions where manganese content is higher.Experiments reveal that higher heating temperature or longer heating time enlarges the network size due to manganese homogenization. The network structure has a strengthening function like reinforcing rib, and the smaller the network size, the greater its strengthening capability.

  7. Improved radiation resistant properties of electron irradiated c-Si solar cells

    Science.gov (United States)

    Ali, Khuram; Khan, Sohail A.; MatJafri, M. Z.

    2016-08-01

    This work investigates the radiation tolerance of c-Si solar cells under electron energy of 9 MeV with fluence of 5.09×1016 cm-2. The solar cells were fabricated and characterized before and after electron irradiation through current-voltage (I-V), capacitance-voltage (C-V), and frequency dependent conductance (Gp) measurements. The results revealed that all the output parameters such as short circuit current (Isc), open circuit voltage (Voc), series resistance (Rs), and efficiency (η) were degraded after electron irradiation. Capacitance-Voltage measurements show that there is a slight decrease in the base carrier concentration (ND), while a small increase in depletion layer width (WD) was due to an increase in the base carrier concentration. Enhancements in the density of interface states (Nss), and trap time constant (τ) have been observed after electron irradiation. The results has revealed that back surface field (BSF) solar cell with front surface passivation (FSP) presented lowest efficiency degradation ratio of 11.3% as compared to 15.3% of the solar cell without FSP. The subsequent annealing of irradiated Si solar cell devices revealed that the Si solar cell with FSP demonstrated high efficiency recovery ratio of 94% as compared to non-FSP solar cell.

  8. Effects of porosity on the elastic behaviour of CVI SiC/SiC composites

    International Nuclear Information System (INIS)

    The purpose of this paper is to deal with the effect of the complex geometry of the porosity of CVI SiC/SiC composites on the elastic behaviour at the scale of the tow, which is an intermediate scale before the modelling of the woven composite. For that purpose, the developed numerical approach consists in the generation of representative micro-structures and in a numerical periodic homogenization procedure for porous materials. As a result, the effective stiffness tensor of the tow is obtained. It will be useful in a further modelling at the upper scale (at scale of the woven composite the tow could be considered as homogeneous). In order to highlight the relevance of this approach, it is compared to a commonly used analytical Mori-Tanaka model. The anisotropy evaluated from the numerical approach is much higher than the anisotropy evaluated from the Mori-Tanaka model. Moreover, this numerical approach is able to evaluate the stress distribution within the composite and especially the high level of stress concentration induced by the complex geometry of the porosity. This high level of stress concentration will have to be taken into account when dealing with the initiation of damage within the composite.

  9. SiC/SiC Leading Edge Turbine Airfoil Tested Under Simulated Gas Turbine Conditions

    Science.gov (United States)

    Robinson, R. Craig; Hatton, Kenneth S.

    1999-01-01

    Silicon-based ceramics have been proposed as component materials for use in gas turbine engine hot-sections. A high pressure burner rig was used to expose both a baseline metal airfoil and ceramic matrix composite leading edge airfoil to typical gas turbine conditions to comparatively evaluate the material response at high temperatures. To eliminate many of the concerns related to an entirely ceramic, rotating airfoil, this study has focused on equipping a stationary metal airfoil with a ceramic leading edge insert to demonstrate the feasibility and benefits of such a configuration. Here, the idea was to allow the SiC/SiC composite to be integrated as the airfoil's leading edge, operating in a "free-floating" or unrestrained manner. and provide temperature relief to the metal blade underneath. The test included cycling the airfoils between simulated idle, lift, and cruise flight conditions. In addition, the airfoils were air-cooled, uniquely instrumented, and exposed to the same internal and external conditions, which included gas temperatures in excess of 1370 C (2500 F). Results show the leading edge insert remained structurally intact after 200 simulated flight cycles with only a slightly oxidized surface. The instrumentation clearly suggested a significant reduction (approximately 600 F) in internal metal temperatures as a result of the ceramic leading edge. The object of this testing was to validate the design and analysis done by Materials Research and Design of Rosemont, PA and to determine the feasibility of this design for the intended application.

  10. High-precision CTE measurement of hybrid C/SiC composite for cryogenic space telescopes

    CERN Document Server

    Enya, K; Imai, T; Tange, Y; Kaneda, H; Katayama, H; Kotani, M; Maruyama, K; Naitoh, M; Nakagawa, T; Onaka, T; Suganuma, M; Ozaki, T; Kume, M; Krodel, M R

    2011-01-01

    This paper presents highly precise measurements of thermal expansion of a "hybrid" carbon-fiber reinforced silicon carbide composite, HB-Cesic\\textregistered - a trademark of ECM, in the temperature region of \\sim310-10K. Whilst C/SiC composites have been considered to be promising for the mirrors and other structures of space-borne cryogenic telescopes, the anisotropic thermal expansion has been a potential disadvantage of this material. HB-Cesic\\textregistered is a newly developed composite using a mixture of different types of chopped, short carbon-fiber, in which one of the important aims of the development was to reduce the anisotropy. The measurements indicate that the anisotropy was much reduced down to 4% as a result of hybridization. The thermal expansion data obtained are presented as functions of temperature using eighth-order polynomials separately for the horizontal (XY-) and vertical (Z-) directions of the fabrication process. The average CTEs and their dispersion (1{\\sigma}) in the range 293-10...

  11. Enhancing photoluminescence properties of SiC/SiO2 coaxial nanocables by making oxygen vacancies.

    Science.gov (United States)

    Liu, Wenna; Chen, Junhong; Yang, Tao; Chou, Kuo-Chih; Hou, Xinmei

    2016-09-14

    Coaxial nanocables (CNs) with an SiC core and a SiO2 shell were fabricated at a large scale by a simple and low cost method. The thickness of the SiO2 shell could be controlled by etching in 1 M NaOH aqueous solution for different amounts of time. XRD, SEM, TEM, HRTEM, PL and UV-Vis spectra were adopted to investigate the morphology and optical properties of the obtained SiC/SiO2CNs. Blue photoluminescence was observed at room temperature from the coaxial structure. The intensity of the single emission band at 468 nm (2.65 eV) exhibited a strong dependence on the thickness of the SiO2 layer and was significantly enhanced when the outer SiO2 shell had a thickness of 2.8 nm. The enhancement effect was attributed to oxygen vacancies (OV) and this was verified by deliberately enriching the surface OV through hydrogen treatment. PMID:27503431

  12. Development of Design Analysis Methods for C/SiC Composite Structures

    Science.gov (United States)

    Sullivan, Roy M.; Mital, Subodh K.; Murthy, Pappu L. N.; Palko, Joseph L.; Cueno, Jacques C.; Koenig, John R.

    2006-01-01

    The stress-strain behavior at room temperature and at 1100 C (2000 F) was measured for two carbon-fiber-reinforced silicon carbide (C/SiC) composite materials: a two-dimensional plain-weave quasi-isotropic laminate and a three-dimensional angle-interlock woven composite. Micromechanics-based material models were developed for predicting the response properties of these two materials. The micromechanics based material models were calibrated by correlating the predicted material property values with the measured values. Four-point beam bending sub-element specimens were fabricated with these two fiber architectures and four-point bending tests were performed at room temperature and at 1100 C. Displacements and strains were measured at various locations along the beam and recorded as a function of load magnitude. The calibrated material models were used in concert with a nonlinear finite element solution to simulate the structural response of these two materials in the four-point beam bending tests. The structural response predicted by the nonlinear analysis method compares favorably with the measured response for both materials and for both test temperatures. Results show that the material models scale up fairly well from coupon to subcomponent level.

  13. A Facile Method to Prepare Double-Layer Isoporous Hollow Fiber Membrane by In Situ Hydrogen Bond Formation in the Spinning Line.

    Science.gov (United States)

    Noor, Nazia; Koll, Joachim; Radjabian, Maryam; Abetz, Clarissa; Abetz, Volker

    2016-03-01

    A double-layer hollow fiber is fabricated where an isoporous surface of polystyrene-block-poly(4-vinylpyridine) is fixed on a support layer by co-extrusion. Due to the sulfonation of the support layer material, delamination of the two layers is suppressed without increasing the number of subsequent processing steps for isoporous composite membrane formation. Electron microscope-energy-dispersive X-ray spectroscopy images unveil the existence of a high sulfur concentration in the interfacial region by which in-process H-bond formation between the layers is evidenced. For the very first time, our study reports a facile method to fabricate a sturdy isoporous double-layer hollow fiber.

  14. The reaction of iodoplatination of triple bond by platinum(4) complexes: formation of σ-vinyl derivatives

    International Nuclear Information System (INIS)

    According to IR and 1H NMR data, propargyl alcohol reacts with platinum(4) iodide complexes in aqueous solution at 10-15 deg C to yield the product of the addition of platinum(4) and iodine to the triple bond, which has been isolated in the form of Pt(CH=CI-CH2OH)2I2(CH3OH). The σ-vinyl ligands in the complex are situated in cis-position. The complex obtained decomposed at 80 deg C to form products of reductive elimination - E,E-2,5-diiodo-1,6-diolhexadiene-2,4 and PtI2. 3 refs

  15. Disulfide bond formation and folding of plant peroxidases expressed as inclusion body protein in Escherichia coli thioredoxin reductase negative strains

    DEFF Research Database (Denmark)

    Teilum, K; Ostergaard, L; Welinder, K G

    1999-01-01

    Escherichia coli is widely used for the production of proteins, which are of interest in structure and function studies. The folding yield of inclusion body protein is, however, generally low (a few percent) for proteins such as the plant and fungal peroxidases, which contain four disulfide bonds......, two Ca2+ ions, and a heme group. We have studied the expression yield and folding efficiency of (i) a novel Arabidopsis thaliana peroxidase, ATP N; and (ii) barley grain peroxidase, BP 1. The expression yield ranges from 0 to 60 microgram/ml of cell culture depending on the peroxidase gene and the...

  16. Testing of DLR C/C-SiC and C/C for HIFiRE 8 Scramjet Combustor

    Science.gov (United States)

    Glass, David E.; Capriotti, Diego P.; Reimer, Thomas; Kutemeyer, Marius; Smart, Michael K.

    2014-01-01

    Ceramic Matrix Composites (CMCs) have been proposed for use as lightweight hot structures in scramjet combustors. Previous studies have calculated significant weight savings by utilizing CMCs (active and passive) versus actively cooled metallic scramjet structures. Both a carbon/carbon (C/C) and a carbon/carbon-silicon carbide (C/C-SiC) material fabricated by DLR (Stuttgart, Germany) are being considered for use in a passively cooled combustor design for Hypersonic International Flight Research Experimentation (HIFiRE) 8, a joint Australia / Air Force Research Laboratory hypersonic flight program, expected to fly at Mach 7 for approximately 30 sec, at a dynamic pressure of 55 kilopascals. Flat panels of the DLR C/C and C/C-SiC materials were installed downstream of a hydrogen-fueled, dual-mode scramjet combustor and tested for several minutes at conditions simulating flight at Mach 5 and Mach 6. Gaseous hydrogen fuel was used to fuel the scramjet combustor. The test panels were instrumented with embedded Type K and Type S thermocouples. Zirconia felt insulation was used during some of the tests to reduce heat loss from the back surface and thus increase the heated surface temperature of the C/C-SiC panel approximately 177 C (350 F). The final C/C-SiC panel was tested for three cycles totaling over 135 sec at Mach 6 enthalpy. Slightly more erosion was observed on the C/C panel than the C/C-SiC panels, but both material systems demonstrated acceptable recession performance for the HIFiRE 8 flight.

  17. A nanosensor for in vivo selenol imaging based on the formation of AuSe bonds.

    Science.gov (United States)

    Hu, Bo; Cheng, Ranran; Liu, Xiaojun; Pan, Xiaohong; Kong, Fanpeng; Gao, Wen; Xu, Kehua; Tang, Bo

    2016-06-01

    Selenol is a key metabolite of Na2SeO3 and plays an important role in many physiological and pathological processes. The real-time monitoring of selenol is of scientific interest for understanding the anti-cancer mechanism of Na2SeO3. Based on selenol's ability to specifically break AuS bonds and form more stable AuSe bonds on the surfaces of gold nanoparticles (AuNPs), we developed a novel near-infrared fluorescent nanosensor (Cy5.5-peptide-AuNPs) for detecting selenol. The nanosensor exhibited rapid response to selenol with high selectivity and sensitivity, and it was successfully used to image changes in the selenol level in HepG2 cells during Na2SeO3-induced apoptosis. Moreover, in vivo fluorescence imaging of selenol was obtained from H22 tumor-bearing mice injected with both the nanosensor and sodium selenite. The results showed that the tumor cell apoptosis induced by Na2SeO3 is correlated with high-level of selenol under hypoxic conditions. We believe that this nanosensor could serve as a powerful tool for monitoring selenol and exploring the physiological function of selenol in a variety of physiological and pathological contexts and that the probe-designed strategy will provide a new platform for research on relevant selenium chemistry. PMID:27043769

  18. Structural investigation of nC-Si/SiO{sub x}:H thin films from He diluted (SiH{sub 4} + CO{sub 2}) plasma at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Samanta, Arup [Nano-Science Group, Energy Research Unit, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India); Das, Debajyoti, E-mail: erdd@iacs.res.in [Nano-Science Group, Energy Research Unit, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India)

    2012-10-15

    Highlight: Black-Right-Pointing-Pointer nC-Si/SiO{sub x}:H thin films prepared at low temperature He diluted (SiH{sub 4} + CO{sub 2}) plasma. Black-Right-Pointing-Pointer Three layers growth structure identified by FESEM and modeling on ellipsometry data. Black-Right-Pointing-Pointer Control of nanocrystallization with simultaneous oxygenation at optimum plasma pressure. - Abstract: Detail structural characterizations of the nC-Si/SiO{sub x}:H films prepared from low temperature (300 Degree-Sign C) SiH{sub 4} plasma, have been performed using various spectroscopic and microscopic probes, e.g., IR spectroscopy, ellipsometry, scanning electron microscopy and atomic force microscopy. The growth structure has been probed by Bruggeman effective medium approximation fitting to the ellipsometry data, considering a three-layer growth model, which has been identified by FESEM studies. It has been observed that with the reduction in pressure (p) the overall crystallinity improves along with the lowering in the incubation layer thickness, and the reduction of void fraction in the bulk as well as in the growth zone and surface layer. The maximum crystallinity in the bulk has been identified at p = 0.6 Torr, corresponding to the lowest roughness on the surface. Oxygen incorporation has been found to be favored at lower gas pressure in the plasma, along with simultaneous dehydrogenation of the silicon network which remains the key criteria for attaining enhanced nanocrystallinity. Plausible formation mechanism of the nC-Si/SiO{sub x}:H structure, activated by chemical reactions occurring in the He diluted (SiH{sub 4} + CO{sub 2}) plasma has been investigated.

  19. Electroluminescence of a-Si/c-Si heterojunction solar cells after high energy irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ferrara, Manuela

    2009-11-24

    The crystalline silicon as absorber material will certainly continue to dominate the market for space applications of solar cells. In the contribution under consideration the applicability of a-Si:H/c-Si heterojunction solar cells in space has been tested by the investigation of the cell modification by high energy protons and comparing the results to the degradation of homojunction crystalline silicon reference cells. The investigated solar cells have been irradiated with protons of different energies and doses. For all investigated solar cells the maximum damage happens for an energy of about 1.7 MeV and is mainly due to the decrease of the effective minority carrier diffusion length in the crystalline silicon absorber. Simulations carried out by AFORS-HET, a heterojunction simulation program, also confirmed this result. The main degradation mechanism for all types of devices is the monotonically decreasing charge carrier diffusion length in the p-type monocrystalline silicon absorber layer. For the heterojunction solar cell an enhancement of the photocurrent in the blue wavelength region has been observed but only in the case of heterojunction solar cell with intrinsic a-Si:H buffer layer. Additionally to the traditional characterization techniques the electroluminescence technique used for monitoring the modifications of the heteroluminescence technique used for monitoring the modifications of the heterointerface between amorphous silicon and crystalline silicon in solar cells after proton irradiation. A direct relation between minority carrier diffusion length and electroluminescence quantum efficiency has been observed but also details of the interface modification could be monitored by this technique.

  20. SiC/SiC composites by preceramic polymer infiltration and pyrolysis

    International Nuclear Information System (INIS)

    Lanxide Corporation has been developing fiber-reinforced silicon carbide matrix composites using the technique of preceramic polymer infiltration and pyrolysis, commonly referred to as the PIP-process. In this method, liquid CERASETTM preceramic polymer is being infiltrated into lay-ups of ceramic fibers, thermoset, and pyrolized at elevated temperatures for conversion into a SiC matrix. Several cycles of reinfiltration and pyrolysis must be performed to build up the SiC matrix because of the increase in density during pyrolysis from 1.0 g/cm3 for the liquid polymer to between 2.2 and 3.2 g/cm3 for the ceramic matrix. Composites have been fabricated using three different approaches: first, polymer infiltration of free-standing fiber preforms in which the fiber plies are being held together with a C/SiC duplex coating applied by chemical vapor infiltration; second, infiltration of individually coated fiber plies contained in a mold using the resin transfer molding method; and third, infiltration of vacuum-bagged, individually coated fiber plies using the vacuum assisted resin infiltration technique. Very good mechanical properties of NicalonTM/SiC and Hi-NicalonTM/SiC composites have been obtained, with four-point flexural strengths exceeding 400 MPa and toughnesses in the 20 to 30 MPa·m1/2 range. The thermal conductivity of the fabricated composites is low (below 5 W/m·K) and must be improved substantially to meet the requirements for fusion structural applications. The fabricated components are relatively dense and impermeable to nitrogen, however, are readily permeated by helium. Chemical analysis has indicated the presence of a small amount of nitrogen (ca. 1 wt%) in the SiC material after pyrolysis of the CERASET preceramic polymer at 1600degC. (author)

  1. Thin wetting films from aqueous electrolyte solutions on SiC/Si wafer.

    Science.gov (United States)

    Diakova, B; Filiatre, C; Platikanov, D; Foissy, A; Kaisheva, M

    2002-02-25

    The stability and rupture of thin wetting films from aqueous NaCl or Na2SO4 solutions of different concentrations on silicon carbide were investigated. The flat surface of SiC was obtained by plasma-enhanced chemical vapor deposition (PE-CVD) on top of a silicon wafer. The microinterferometric method was used for measuring the film thickness with time. The light reflectance was calculated as a function of film thickness for the four-layer system: air/aqueous solution/SiC/Si wafer. The microinterferometric experiments showed that films from aqueous NaCl and Na2SO4 solutions with concentrations up to 0.01 M were stable independent of the pre-treatment of the substrate. The pre-treatment of the SiC surface was crucial for the wetting film stability at electrolyte concentrations greater than 0.01 M. The films were unstable and ruptured if SiC was washed with 5% hydrofluoric acid and concentrated sulfuric acid, while they were stable if washing was in sulfuric acid only, without immersing SiC in HF. The average equilibrium film thickness was determined as a function of electrolyte concentration. Measurements of the electrokinetic potential zeta were performed by electrophores of SiC powder in 0.001 M NaCl. It was shown that silicon carbide surface was negatively charged. The theory of heterocoagulation was used for the interpretation of the results. Besides the DLVO forces, the structural disjoining pressure (both positive and negative) has been included in the analysis. PMID:11908786

  2. Theoretical study on the transition-metal oxoboryl complex: M-BO bonding nature, mechanism of the formation reaction, and prediction of a new oxoboryl complex.

    Science.gov (United States)

    Zeng, Guixiang; Sakaki, Shigeyoshi

    2012-04-16

    The Pt-BO bonding nature and the formation reaction of the experimentally reported platinum(II) oxoboryl complex, simplified to PtBr(BO)(PMe(3))(2), were theoretically investigated with the density functional theory method. The BO(-) ligand was quantitatively demonstrated to have extremely strong σ-donation but very weak d(π)-electron-accepting abilities. Therefore, it exhibits a strong trans influence. The formation reaction occurs through a four-center transition state, in which the B(δ+)-Br(δ-) polarization and the Br → Si and O p(π) → B p(π) charge-transfer interactions play key roles. The Gibbs activation energy (ΔG°(++)) and Gibbs reaction energy (ΔG°) of the formation reaction are 32.2 and -6.1 kcal/mol, respectively. The electron-donating bulky phosphine ligand is found to be favorable for lowering both ΔG°(++) and ΔG°. In addition, the metal effect is examined with the nickel and palladium analogues and MBrCl[BBr(OSiMe(3))](CO)(PR(3))(2) (M = Ir and Rh). By a comparison of the ΔG°(++) and ΔG° values, the M-BO (M = Ni, Pd, Ir, and Rh) bonding nature, and the interaction energy between [MBrCl(CO)(PR(3))(2)](+) and BO(-) with those of the platinum system, MBrCl(BO)(CO)(PR(3))(2) (M = Ir and Rh) is predicted to be a good candidate for a stable oxoboryl complex. PMID:22458310

  3. Admittance spectroscopy investigations of the a-Si:H/c-Si heterojunction with a view to applications in photovoltaic energy conversion; Admittanzspektroskopische Untersuchungen des a-Si:H/c-Si-Heteroueberganges im Hinblick auf photovoltaische Anwendungen

    Energy Technology Data Exchange (ETDEWEB)

    Gall, S.

    1997-12-31

    a-Si:H/c-Si heterojunctions in solar cells were investigated by admittance spectroscopy, which is able to observe defects at the a-Si:H/c-Si interface. The reasons for the investigation are stated in chapter 2. Chapter 3 describes the main characteristics of the materials involved, while chapter 4 discusses the heterojunction between the materials. Chapter 5 describes Schottky contacts on a-Si:H that were used in this investigation for investigating the heterojunction. Chapter 6 describes the preparation of specimens and chapter 7 their characterisation. Chapter 8 describes the investigations by admittance spectroscopy. Apart from the results of the measurements and simulations, also the method of measurement, the measuring set-up and the fundamentals are presented. Photovoltaic characteristics of the junctions are presented in chapter 9. The report ends with a summary. (orig.)

  4. Synthesis and characterization of SiC and SiC/Si3N4 composite nano powders from waste material.

    Science.gov (United States)

    Zawrah, M F; Zayed, M A; Ali, Moustafa R K

    2012-08-15

    In the present work, nano silicon carbide has been prepared by pyrolysis of rice-husk ashes as starting materials. Three rice-husk ash samples having different features were used. The first was coarse-grained rice husk ash (fired husk as is), the second was fine rice husk ash (hand-ground), while the third was ball milled one. Effect of ball milling of the starting ashes for 6h on the formation of nano SiC was investigated and compared with those prepared without milling. The particle sizes of the prepared SiC materials were affected by the milling process. The particle sizes of the obtained nano SiC from ball milled staring materials were smaller than those prepared without milling. The pyrolysis conditions, i.e. the temperature and atmosphere were optimized. The optimum firing temperature to obtain well crystalline nano SiC was 1550°C. The effect of pyrolysis atmosphere, i.e. argon, vacuum and nitrogen was also demonstrated. The pyrolysis in argon exhibited lower efficiency on the formation of SiC than vacuum; while the pyrolysis in nitrogen atmosphere led to formation of SiC/Si(3)N(4) nanocomposite. PMID:22673059

  5. Peptide bond formation through gas-phase reactions in the interstellar medium: formamide and acetamide as prototypes

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio, E-mail: predondo@qf.uva.es [Computational Chemistry Group, Departamento de Química Física, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid (Spain)

    2014-09-20

    A theoretical study of the reactions of NH{sub 4}{sup +} with formaldehyde and CH{sub 5}{sup +} with formamide is carried out. The viability of these gas-phase ion-molecule reactions as possible sources of formamide and acetamide under the conditions of interstellar medium is evaluated. We report a theoretical estimation of the reaction enthalpies and an analysis of their potential energy surfaces. Formation of protonated formamide from the reaction between ammonium cation and formaldehyde is an exothermic process, but all the channels located on the potential energy surface leading to this product present net activation energies. For the reaction between methanium and formamide, different products are possible from a thermodynamic point of view. An analysis of its potential energy surface showed that formation of protonated acetamide and amino acetaldehyde takes place through barrier-free paths. Therefore, this reaction could be a feasible source of acetamide and amino acetaldehyde in space.

  6. Densification, microstructure, and fracture behavior of TiC/Si3N4 composites by spark plasma sintering

    Institute of Scientific and Technical Information of China (English)

    BAI Ling; GE Changchun; SHEN Weiping; MAO Xiaodong; ZHANG Ke

    2008-01-01

    TiC/Si3N4 composites were prepared using the β-Si3N4 powder synthesized by self-propagating high-temperature synthesis (SHS) and 35 wt.% TiC by spark plasma sintering. Y2O3 and A12O3 were added as sintering additives. The almost full sintered density and the highest fracture toughness (8.48 MPa·m1/2) values of Si3N4-based ceramics could be achieved at 1550℃. No interfacial interactions were noticeable between TiC and Si3N4. The toughening mechanisms in TiC/Si3N4 composites were attributed to crack deflection, microcrack toughening, and crack impedance by the periodic compressive stress in the Si3N4 matrix. However, increasing microcracks easily led to excessive connection of microcracks, which would not be beneficial to the strength.

  7. Multi-wafer 3C-SiC thin films grown on Si (100) in a vertical HWLPCVD reactor*

    Institute of Scientific and Technical Information of China (English)

    Yan Guoguo; Sun Guosheng; Wu Hailei; Wang Lei; Zhao Wanshun; Liu Xingfang; Zeng Yiping; Wen Jialiang

    2011-01-01

    We report the latest results of the 3C-SiC layer growth on Si (100) substrates by employing a novel home-made horizontal hot wall low pressure chemical vapour deposition (HWLPCVD) system with a rotating susceptor that was designed to support up to three 50 mm-diameter wafers. 3C-SiC film properties of the intrawafer and the wafer-to-wafer, including crystalline morphologies and electronics, are characterized systematically.Intra-wafer layer thickness and sheet resistance uniformity (σ/mean) of~3.40% and ~5.37% have been achieved in the 3 × 50 mm configuration. Within a run, the deviations of wafer-to-wafer thickness and sheet resistance are less than 4% and 4.24%, respectively.

  8. Preparation of SiC/SiO2 core-shell nanowires via molten salt mediated carbothermal reduction route

    Science.gov (United States)

    Zhang, Ju; Yan, Shuai; Jia, Quanli; Huang, Juntong; Lin, Liangxu; Zhang, Shaowei

    2016-06-01

    The growth of silicon carbide (SiC) crystal generally requires a high temperature, especially when low quality industrial wastes are used as the starting raw materials. In this work, SiC/SiO2 core-shell nanowires (NWs) were synthesized from low cost silica fume and sucrose via a molten salt mediated carbothermal reduction (CR) route. The molten salt was found to be effective in promoting the SiC growth and lowering the synthesis temperature. The resultant NWs exhibited a heterostructure composed of a 3C-SiC core of 100 nm in diameter and a 5-10 nm thick amorphous SiO2 shell layer. The photoluminescence spectrum of the achieved SiC NWs displayed a significant blue shift (a dominant luminescence at round 422 nm), which suggested that they were high quality and could be a promising candidate material for future optoelectronic applications.

  9. Single- and Multilayered Inter-phases in SiC/SiC Composites Exposed to Severe Environmental Conditions: An Overview

    Energy Technology Data Exchange (ETDEWEB)

    Naslain, R.R.; Pailler, R.J.F.; Lamon, J.L. [Univ Bordeaux, LCTS, F-33600 Pessac (France)

    2010-07-01

    Pyrocarbon (PyC), the common interphase for SiC/SiC, is not stable under severe environmental conditions. It could be replaced by boron nitride more resistant to oxidation but poorly compatible with nuclear applications. Other materials, such as ternary carbides seem promising but their use in SiC/SiC has not been demonstrated. The most efficient way to improve the behavior of PyC interphase in severe environments is to replace part of PyC by a material displaying a better compatibility, such as SiC itself. Issues related to the design and behavior of layered inter-phases are reviewed with a view to demonstrate their interest in high-temperature nuclear reactors. (authors)

  10. Roughness of the SiC/SiO{sub 2} vicinal interface and atomic structure of the transition layers

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Peizhi; Li, Guoliang; Duscher, Gerd, E-mail: gduscher@utk.edu [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, Tennessee 37996 (United States); Sharma, Yogesh K.; Ahyi, Ayayi C.; Isaacs-Smith, Tamara; Williams, John R.; Dhar, Sarit [Department of Physics, Auburn University, Auburn, Alabama 36849 (United States)

    2014-11-01

    The SiC/SiO{sub 2} interface is generally considered to be the cause for the reduced electron mobility of SiC power devices. Previous studies have shown a correlation between the mobility and the transition layer width at the SiC/SiO{sub 2} interface. The authors investigated this interface with atomic resolution Z-contrast imaging and electron energy-loss spectroscopy, and discovered that this transition region was due to the roughness of the vicinal interface. The roughness of a vicinal interface consisted of atomic steps and facets deviating from the ideal off-axis cut plane. The authors conclude that this roughness is limiting the mobility in the channels of SiC MOSFETs.

  11. SiC/SiC Composites: The Effect of Fiber Type and Fiber Architecture on Mechanical Properties

    Science.gov (United States)

    Morscher, Gregory N.

    2008-01-01

    Woven SiC/SiC composites represent a broad family of composites with a broad range of properties which are of interest for many energy-based and aero-based applications. Two important features of SiC/SiC composites which one must consider are the reinforcing fibers themselves and the fiber-architecture they are formed into. The range of choices for these two features can result in a wide range of elastic, mechanical, thermal, and electrical properties. In this presentation, it will be demonstrated how the effect of fiber-type and fiber architecture effects the important property of "matrix cracking stress" for slurry-cast melt-infiltrated SiC matrix composites, which is often considered to be a critical design parameter for this system of composites.

  12. Monotonic tensile behavior analysis of three-dimensional needle-punched woven C/SiC composites by acoustic emission

    Institute of Scientific and Technical Information of China (English)

    Peng Fang; Laifei Cheng; Litong Zhang; Jingjiang Nie

    2008-01-01

    High toughness and reliable three-dimensional needled C/SiC composites were fabricated by chemical vapor infiltration (CVI). An approach to analyze the tensile behaviors at room temperature and the damage accumulation of the composites by means of acoustic emission was researched. Also the fracture morphology was examined by S-4700 SEM after tensile tests to prove the damage mechanism. The results indicate that the cumulative energy of acoustic emission (AE) signals can be used to monitor and evaluate the damage evolution in ceramic-matrix composites. The initiation of room-temperature tensile damage in C/SiC composites occurred with the growth of micro-cracks in the matrix at the stress level about 40% of the ultimate fracture stress. The level 70% of the fracture stress could be defined as the critical damage strength.

  13. Formation of intersubunit disulfide bonds and properties of the single histidine and cysteine residues in each subunit relative to the decameric structure of cyanase.

    Science.gov (United States)

    Anderson, P M; Korte, J J; Holcomb, T A; Cho, Y G; Son, C M; Sung, Y C

    1994-05-27

    Reaction of the single cysteine residue in each subunit of cyanase with certain SH reagents gives an active decameric derivative that dissociates reversibly to an inactive dimer derivative (Anderson, P. M., Johnson, W. V., Korte, J. J., Xiong, X., Sung, Y.-c., and Fuchs, J. A. (1988) J. Biol. Chem. 263, 5674-5680). Reaction of mixed disulfide dimer derivatives of cyanase with dithiothreitol at 0 degree C results in formation of a disulfide bond between the subunits in the dimer. The disulfide dimer was inactive and did not associate to a decamer; the intersubunit disulfide bond could not be formed when the dimers were associated as a decamer. The two SH groups apparently are in close proximity to each other in the dissociated dimer but not when the dimer is associated to a decamer. Substitution of glycine for the cysteine residue or of tyrosine, asparagine, glycine, valine, or leucine for the single histidine residue in each subunit gave mutant enzymes that were active. However, H113N, H113Y, and C83G were unstable at low temperature and/or ionic strength, dissociating reversibly to an inactive dimer. Efficient reassociation required the presence of bicarbonate or cyanate analog. The results are consistent with a proposed single site per subunit model explaining apparent half-site binding of substrates and the requirement of decameric structure for activity.

  14. Oligomerization reactions of deoxyribonucleotides on montmorillonite clay - The effect of mononucleotide structure, phosphate activation and montmorillonite composition on phosphodiester bond formation

    Science.gov (United States)

    Ferris, James P.; KAMALUDDIN; Ertem, Gozen

    1990-01-01

    The 2(prime)-d-5(prime)-GMP and 2(prime)-d-5(prime)-AMP bind 2 times more strongly to montmorillonite 22A than do 2(prime)-d-5(prime)-CMP and 5(prime)-TMP. The dinucleotide d(pG)2 forms in 9.2 percent yield and the cyclic dinucleotide c(dpG)2 in 5.4 percent yield in the reaction of 2(prime)-d-5(prime)-GMP with EDAC in the presence of montmorillonite 22A. The yield of dimers which contain the phosphodiester bond decreases as the reaction medium is changed from 0.2 M NaCl to a mixture of 0.2 M NaCl and 0.075 M MgCl2. A low yield of d(pA)2 was observed in the condensation reaction of 5(prime)-ImdpA on montmorillonite 22A. The yield of d(pA)2 obtained when EDAC is used as the condensing agent increases with increasing iron content of the Na(+)-montmorillonite used as catalyst. Evidence is presented which shows that the acidity of the Na(+)-montmorillonite is a necessary but not sufficient factor for the montmorillonite catalysis of phosphodiester bond formation.

  15. Multiscale approach of mechanical behaviour of SiC/SiC composites: elastic behaviour at the scale of the tow

    OpenAIRE

    CHATEAU, Camille; Gelebart, Lionel; Bornert, Michel; CREPIN, Jérome; Caldemaison, Daniel

    2010-01-01

    SiC/SiC composites are candidates for structural applications at elevated temperatures in the context of the development of the 4th generation of nuclear reactors. A multiscale approach is under development to construct a predictive modelling of their complex mechanical behaviour due to their heterogeneous microstructure. This approach is based on two scale transitions: from the fibres/matrix microstructure to the tow and from the tow to the woven composite, each scale presenting a significan...

  16. Synthesis of Bioactive 2-(Arylaminothiazolo[5,4-f]-quinazolin-9-ones via the Hügershoff Reaction or Cu- Catalyzed Intramolecular C-S Bond Formation

    Directory of Open Access Journals (Sweden)

    Damien Hédou

    2016-06-01

    Full Text Available A library of thirty eight novel thiazolo[5,4-f]quinazolin-9(8H-one derivatives (series 8, 10, 14 and 17 was prepared via the Hügershoff reaction and a Cu catalyzed intramolecular C-S bond formation, helped by microwave-assisted technology when required. The efficient multistep synthesis of the key 6-amino-3-cyclopropylquinazolin-4(3H-one (3 has been reinvestigated and performed on a multigram scale from the starting 5-nitroanthranilic acid. The inhibitory potency of the final products was evaluated against five kinases involved in Alzheimer’s disease and showed that some molecules of the 17 series described in this paper are particularly promising for the development of novel multi-target inhibitors of kinases.

  17. Fracture property and quantitative strain evaluation of hetero-epitaxial single crystal 3C-SiC membrane

    Science.gov (United States)

    Anzalone, R.; D'Arrigo, G.; Camarda, M.; Piluso, N.; La Via, F.

    2014-03-01

    The following paper explores the development of a combined bulge test/micro-Raman analysis. This analysis, together with a refined load-deflection model (valid in both small and large deformation regimes, defined as the regimes in which the ratio between membrane deflection and width is smaller or larger than 1:10), allowed the determination of the elastic and optical properties of high quality single-crystal 3C-SiC squared membranes. Specifically we have evaluated the breaking strain of the membranes by measuring the breaking pressure for various membrane widths. The relation between the shift of the Raman Transverse Optical (TO) mode and the total residual strain (Δa/a) has been determined by measuring the TO shift for different membrane deflections. This relation, which allows determination of the residual strain by simply measuring the TO shift, was known only for thick samples (Olego et al) and high-oriented (100) thin films (Rohmfeld et al). Finally, we have calculated the TO stress-free value of high-quality thin single-crystal 3C-SiC/Si(100) films as 796.71 ± 0.04 cm-1.

  18. Piezoresistive effect in p-type 3C-SiC at high temperatures characterized using Joule heating

    Science.gov (United States)

    Phan, Hoang-Phuong; Dinh, Toan; Kozeki, Takahiro; Qamar, Afzaal; Namazu, Takahiro; Dimitrijev, Sima; Nguyen, Nam-Trung; Dao, Dzung Viet

    2016-06-01

    Cubic silicon carbide is a promising material for Micro Electro Mechanical Systems (MEMS) applications in harsh environ-ments and bioapplications thanks to its large band gap, chemical inertness, excellent corrosion tolerance and capability of growth on a Si substrate. This paper reports the piezoresistive effect of p-type single crystalline 3C-SiC characterized at high temperatures, using an in situ measurement method. The experimental results show that the highly doped p-type 3C-SiC possesses a relatively stable gauge factor of approximately 25 to 28 at temperatures varying from 300 K to 573 K. The in situ method proposed in this study also demonstrated that, the combination of the piezoresistive and thermoresistive effects can increase the gauge factor of p-type 3C-SiC to approximately 20% at 573 K. The increase in gauge factor based on the combination of these phenomena could enhance the sensitivity of SiC based MEMS mechanical sensors.

  19. T300HoneySiC: a new near-zero CTE molded C/SiC material

    Science.gov (United States)

    Goodman, William A.; Ghasemi Nejhad, Mehrdad N.; Wright, Stan; Welson, Darren

    2015-09-01

    Using an Additive Manufacturing process, Trex Enterprises and teammates were successful in producing a 12-inch by 12-inch by 0.5-inch vented, lightweight, Honeycomb C/SiC ceramic matrix composite (CMC) panel which had a density relative to bulk silicon carbide of 11% (89% lightweighting). The so-called T300HoneySiC™ panel and facesheet stock material were fabricated into ASTM standard coupons and tested at Southern Research Institute to obtain basic materials properties data. The material properties data showed that we had made a near-zero coefficient of thermal expansion (CTE= -0.22 ppm/°C from -196°C to +24°C) CMC C/SiC material with good strength. This material will be ideal for space opto-mechanical structures and optical benches due to its near-zero CTE and light weight. The material is initially molded and then converted to a C/SiC ceramic matrix composite, thus the fabrication time can be less than 3 weeks from start to finish, resulting in low cost.

  20. Multi-scale Model of Residual Strength of 2D Plain Weave C/SiC Composites in Oxidation Atmosphere

    Science.gov (United States)

    Chen, Xihui; Sun, Zhigang; Sun, Jianfen; Song, Yingdong

    2016-06-01

    Multi-scale models play an important role in capturing the nonlinear response of woven carbon fiber reinforced ceramic matrix composites. In plain weave carbon fiber/silicon carbon (C/SiC) composites, the carbon fibers and interphases will be oxidized at elevated temperature and the strength of the composite will be degraded when oxygen enters micro-cracks formed in the as-produced parts due to the mismatch in thermal properties between constituents. As a result of the oxidation on fiber surface, fiber shows a notch-like morphology. In this paper, the change rule of fiber notch depth is fitted by circular function. And a multi-scale model based upon the change rule of fiber notch depth is developed to simulate the residual strength and post-oxidation stress-strain curves of the composite. The multi-scale model is able to accurately predict the residual strength and post-oxidation stress-strain curves of the composite. Besides, the simulated residual strength and post-oxidation stress-strain curves of 2D plain weave C/SiC composites in oxidation atmosphere show good agreements with experimental results. Furthermore, the oxidation time and temperature of the composite are investigated to show their influences upon the residual strength and post-oxidation stress-strain curves of plain weave C/SiC composites.

  1. Fracture property and quantitative strain evaluation of hetero-epitaxial single crystal 3C-SiC membrane

    International Nuclear Information System (INIS)

    The following paper explores the development of a combined bulge test/micro-Raman analysis. This analysis, together with a refined load-deflection model (valid in both small and large deformation regimes, defined as the regimes in which the ratio between membrane deflection and width is smaller or larger than 1:10), allowed the determination of the elastic and optical properties of high quality single-crystal 3C-SiC squared membranes. Specifically we have evaluated the breaking strain of the membranes by measuring the breaking pressure for various membrane widths. The relation between the shift of the Raman Transverse Optical (TO) mode and the total residual strain (Δa/a) has been determined by measuring the TO shift for different membrane deflections. This relation, which allows determination of the residual strain by simply measuring the TO shift, was known only for thick samples (Olego et al) and high-oriented (100) thin films (Rohmfeld et al). Finally, we have calculated the TO stress-free value of high-quality thin single-crystal 3C-SiC/Si(100) films as 796.71 ± 0.04 cm−1. (papers)

  2. Ti-Ni ohmic contacts on 3C-SiC doped by nitrogen or phosphorus implantation

    Energy Technology Data Exchange (ETDEWEB)

    Bazin, A.E., E-mail: anne-elisabeth.bazin@st.com [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Michaud, J.F. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Autret-Lambert, C. [Universite Francois Rabelais, Tours, Laboratoire d' Electrodynamique des Materiaux Avances CNRS-CEA-UMR6157, Parc de Grandmont, 37200 Tours (France); Cayrel, F. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Chassagne, T. [NOVASiC, Savoie Technolac, Arche Bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Portail, M. [Centre de Recherche sur l' Hetero-Epitaxie et ses Applications CNRS-UPR10, Rue Bernard Gregory, 06560 Valbonne (France); Zielinski, M. [NOVASiC, Savoie Technolac, Arche Bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Collard, E. [STMicroelectronics, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Alquier, D. [Universite Francois Rabelais, Tours, Laboratoire de Microelectronique de Puissance, 16 Rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France)

    2010-07-25

    For electronic devices, good ohmic contacts are required. To achieve such contacts, the semiconductor layer has to be highly doped. The only method available to locally dope the SiC is to implant dopants in the epilayer through a mask. In this work, non-intentionally doped 3C-SiC epilayers were implanted using nitrogen or phosphorus at different energies and subsequently annealed at temperatures between 1150 deg. C and 1350 deg. C in order to form n{sup +} implanted layers. Different techniques such as Fourier Transformed InfraRed spectroscopy (FTIR), Secondary Ion Mass Spectroscopy (SIMS) and Transmission Electron Microscopy (TEM) were used to characterize implanted 3C-SiC epilayers subsequently to the different annealing steps. Then, Ti-Ni contacts were carried out and the specific contact resistance ({rho}{sub C}) was determined by using circular Transfer Length Method (c-TLM) patterns. {rho}{sub C} values were investigated as a function of implanted species and contact annealing conditions, and compared to those obtained for highly doped 3C-SiC epilayers. As expected, {rho}{sub C} value is highly sensitive to post-implantation annealing. This work demonstrates that low resistance values can be achieved using nitrogen or phosphorus implantation at room temperature hence enabling device processing.

  3. Piezoresistive effect in p-type 3C-SiC at high temperatures characterized using Joule heating

    Science.gov (United States)

    Phan, Hoang-Phuong; Dinh, Toan; Kozeki, Takahiro; Qamar, Afzaal; Namazu, Takahiro; Dimitrijev, Sima; Nguyen, Nam-Trung; Dao, Dzung Viet

    2016-01-01

    Cubic silicon carbide is a promising material for Micro Electro Mechanical Systems (MEMS) applications in harsh environ-ments and bioapplications thanks to its large band gap, chemical inertness, excellent corrosion tolerance and capability of growth on a Si substrate. This paper reports the piezoresistive effect of p-type single crystalline 3C-SiC characterized at high temperatures, using an in situ measurement method. The experimental results show that the highly doped p-type 3C-SiC possesses a relatively stable gauge factor of approximately 25 to 28 at temperatures varying from 300 K to 573 K. The in situ method proposed in this study also demonstrated that, the combination of the piezoresistive and thermoresistive effects can increase the gauge factor of p-type 3C-SiC to approximately 20% at 573 K. The increase in gauge factor based on the combination of these phenomena could enhance the sensitivity of SiC based MEMS mechanical sensors. PMID:27349378

  4. Piezoresistive effect in p-type 3C-SiC at high temperatures characterized using Joule heating.

    Science.gov (United States)

    Phan, Hoang-Phuong; Dinh, Toan; Kozeki, Takahiro; Qamar, Afzaal; Namazu, Takahiro; Dimitrijev, Sima; Nguyen, Nam-Trung; Dao, Dzung Viet

    2016-01-01

    Cubic silicon carbide is a promising material for Micro Electro Mechanical Systems (MEMS) applications in harsh environ-ments and bioapplications thanks to its large band gap, chemical inertness, excellent corrosion tolerance and capability of growth on a Si substrate. This paper reports the piezoresistive effect of p-type single crystalline 3C-SiC characterized at high temperatures, using an in situ measurement method. The experimental results show that the highly doped p-type 3C-SiC possesses a relatively stable gauge factor of approximately 25 to 28 at temperatures varying from 300 K to 573 K. The in situ method proposed in this study also demonstrated that, the combination of the piezoresistive and thermoresistive effects can increase the gauge factor of p-type 3C-SiC to approximately 20% at 573 K. The increase in gauge factor based on the combination of these phenomena could enhance the sensitivity of SiC based MEMS mechanical sensors. PMID:27349378

  5. Toward Design Principles for Diffusionless Transformations: The Frustrated Formation of Co–Co Bonds in a Low-Temperature Polymorph of GdCoSi 2

    Energy Technology Data Exchange (ETDEWEB)

    Vinokur, Anastasiya I.; Fredrickson, Daniel C.

    2016-06-20

    Diffusionless (or displacive) phase transitions allow inorganic materials to show exquisite responsiveness to external stimuli, as is illustrated vividly by the superelasticity, shape memory, and magnetocaloric effects exhibited by martensitic materials. In this Article, we present a new diffusionless transition in the compound GdCoSi2, whose origin in frustrated bonding points toward generalizable design principles for these transformations. We first describe the synthesis of GdCoSi2 and the determination of its structure using single crystal X-ray diffraction. While previous studies based on powder X-ray diffraction assigned this compound to the simple CeNi1–xSi2 structure type (space group Cmcm), our structure solution reveals a superstructure variant (space group Pbcm) in which the Co sublattice is distorted to create zigzag chains of Co atoms. DFT-calibrated Hückel calculations, coupled with a reversed approximation Molecular Orbital (raMO) analysis, trace this superstructure to the use of Co–Co isolobal bonds to complete filled 18 electron configurations on the Co atoms, in accordance with the 18–n rule. The formation of these Co–Co bonds is partially impeded, however, by a small degree of electron transfer from Si-based electronic states to those with Co–Co σ* character. The incomplete success of Co–Co bond creation suggests that these interactions are relatively weak, opening the possibility of them being overcome by thermal energy at elevated temperatures. In fact, high-temperature powder and single crystal X-ray diffraction data, as well as differential scanning calorimetry, indicate that a reversible Pbcm to Cmcm transition occurs at about 380 K. This transition is diffusionless, and the available data point toward it being first-order. We expect that similar cases of frustrated interactions could be staged in other rare earth–transition metal–main group phases, providing a potentially rich

  6. Toward Design Principles for Diffusionless Transformations: The Frustrated Formation of Co-Co Bonds in a Low-Temperature Polymorph of GdCoSi2.

    Science.gov (United States)

    Vinokur, Anastasiya I; Fredrickson, Daniel C

    2016-06-20

    Diffusionless (or displacive) phase transitions allow inorganic materials to show exquisite responsiveness to external stimuli, as is illustrated vividly by the superelasticity, shape memory, and magnetocaloric effects exhibited by martensitic materials. In this Article, we present a new diffusionless transition in the compound GdCoSi2, whose origin in frustrated bonding points toward generalizable design principles for these transformations. We first describe the synthesis of GdCoSi2 and the determination of its structure using single crystal X-ray diffraction. While previous studies based on powder X-ray diffraction assigned this compound to the simple CeNi1-xSi2 structure type (space group Cmcm), our structure solution reveals a superstructure variant (space group Pbcm) in which the Co sublattice is distorted to create zigzag chains of Co atoms. DFT-calibrated Hückel calculations, coupled with a reversed approximation Molecular Orbital (raMO) analysis, trace this superstructure to the use of Co-Co isolobal bonds to complete filled 18 electron configurations on the Co atoms, in accordance with the 18-n rule. The formation of these Co-Co bonds is partially impeded, however, by a small degree of electron transfer from Si-based electronic states to those with Co-Co σ* character. The incomplete success of Co-Co bond creation suggests that these interactions are relatively weak, opening the possibility of them being overcome by thermal energy at elevated temperatures. In fact, high-temperature powder and single crystal X-ray diffraction data, as well as differential scanning calorimetry, indicate that a reversible Pbcm to Cmcm transition occurs at about 380 K. This transition is diffusionless, and the available data point toward it being first-order. We expect that similar cases of frustrated interactions could be staged in other rare earth-transition metal-main group phases, providing a potentially rich source of compounds exhibiting diffusionless transformations

  7. Influence of helium atoms on the shear behavior of the fiber/matrix interphase of SiC/SiC composite

    Science.gov (United States)

    Jin, Enze; Du, Shiyu; Li, Mian; Liu, Chen; He, Shihong; He, Jian; He, Heming

    2016-10-01

    Silicon carbide has many attractive properties and the SiC/SiC composite has been considered as a promising candidate for nuclear structural materials. Up to now, a computational investigation on the properties of SiC/SiC composite varying in the presence of nuclear fission products is still missing. In this work, the influence of He atoms on the shear behavior of the SiC/SiC interphase is investigated via Molecular Dynamics simulation following our recent paper. Calculations are carried out on three dimensional models of graphite-like PyC/SiC interphase and amorphous PyC/SiC interphase with He atoms in different regions (the SiC region, the interface region and the PyC region). In the graphite-like PyC/SiC interphase, He atoms in the SiC region have little influence on the shear strength of the material, while both the shear strength and friction strength may be enhanced when they are in the PyC region. Low concentration of He atoms in the interface region of the graphite-like PyC/SiC interphase increases the shear strength, while there is a reduction of shear strength when the He concentration is high due to the switch of sliding plane. In the amorphous PyC/SiC interphase, He atoms can cause the reduction of the shear strength regardless of the regions that He atoms are located. The presence of He atoms may significantly alter the structure of SiC/SiC in the interface region. The influence of He atoms in the interface region is the most significant, leading to evident shear strength reduction of the amorphous PyC/SiC interphase with increasing He concentration. The behaviors of the interphases at different temperatures are studied as well. The dependence of the shear strengths of the two types of interphases on temperatures is studied as well. For the graphite-like PyC/SiC interphase, it is found strongly related to the regions He atoms are located. Combining these results with our previous study on pure SiC/SiC system, we expect this work may provide new insight

  8. Asymmetric C-C Bond-Formation Reaction with Pd: How to Favor Heterogeneous or Homogeneous Catalysis?

    DEFF Research Database (Denmark)

    Reimann, S.; Grunwaldt, Jan-Dierk; Mallat, T.;

    2010-01-01

    The enantioselective allylic alkylation of (E)-1,3-diphenylallyl acetate was studied to clarify the heterogeneous or homogeneous character of the Pd/Al2O3-(R)-BINAP catalyst system. A combined approach was applied: the catalytic tests were completed with in situ XANES measurements to follow...... is a clear deviation from the behavior of the corresponding homogeneous system. In contrast, halogenated solvents are easily dehalogenated on Pd/Al2O3 and thus they favor leaching of the metal and formation of soluble compounds, analogous to classical metal corrosion in the presence of halide ions...

  9. Synthesis of the proteinase inhibitor LEKTI domain 6 by the fragment condensation method and regioselective disulfide bond formation.

    Science.gov (United States)

    Vasileiou, Zoe; Barlos, Kostas K; Gatos, Dimitrios; Adermann, Knut; Deraison, Celine; Barlos, Kleomenis

    2010-01-01

    Proteinase inhibitors are of high pharmaceutical interest and are drug candidates for a variety of indications. Specific kallikrein inhibitors are important for their antitumor activity and their potential application to the treatment of skin diseases. In this study we describe the synthesis of domain 6 of the kallikrein inhibitor Lympho-Epithilial Kazal-Type Inhibitor (LEKTI) by the fragment condensation method and site-directed cystine bridge formation. To obtain the linear LEKTI precursor, the condensation was best performed in solution, coupling the protected fragment 1-22 to 23-68. This method yielded LEKTI domain 6 of high purity and equipotent to the recombinantly produced peptide. PMID:20069636

  10. Velocity Map Imaging Study of Ion-Radical Chemistry: Charge Transfer and Carbon-Carbon Bond Formation in the Reactions of Allyl Radicals with C(.).

    Science.gov (United States)

    Pei, Linsen; Farrar, James M

    2016-08-11

    We present an experimental and computational study of the dynamics of collisions of ground state carbon cations with allyl radicals, C3H5, at a collision energy of 2.2 eV. Charge transfer to produce the allyl cation, C3H5(+), is exoergic by 3.08 eV and proceeds via energy resonance such that the electron transfer occurs without a significant change in nuclear velocities. The products have sufficient energy to undergo the dissociation process C3H5(+) → C3H4(+) + H. Approximately 80% of the reaction products are ascribed to charge transfer, with ∼40% of those products decaying via loss of a hydrogen atom. We also observe products arising from the formation of new carbon-carbon bonds. The experimental velocity space flux distributions for the four-carbon products are symmetric about the centroid of the reactants, providing direct evidence that the products are mediated by formation of a C4H5(+) complex living at least a few rotational periods. The primary four-carbon reaction products are formed by elimination of molecular hydrogen from the C4H5(+) complex. More than 75% of the nascent C4H3(+) products decay by C-H bond cleavage to yield a C4H2(+) species. Quantum chemical calculations at the MP2/6-311+g(d,p) level of theory support the formation of a nonplanar cyclic C4H5(+) adduct that is produced when the p-orbital containing the unpaired electron on C(+) overlaps with the unpaired spin density on the terminal carbon atoms in allyl. Product formation then occurs by 1,2-elimination of molecular hydrogen from the cyclic intermediate to form a planar cyclic C4H3(+) product. The large rearrangement in geometry as the C4H3(+) products are formed is consistent with high vibrational excitation in that product and supports the observation that the majority of those products decay to form the C4H2(+) species. PMID:27434380

  11. Structural and electrical characterizations of n-type implanted layers and ohmic contacts on 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Song, X., E-mail: xi.song@st.com [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Biscarrat, J. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Michaud, J.-F.; Cayrel, F. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Zielinski, M.; Chassagne, T. [NOVASiC, Savoie Technolac, Arche bat 4, BP 267, 73375 Le Bourget du Lac Cedex (France); Portail, M. [Centre de Recherche sur l' Hetero-Epitaxie et ses Applications CNRS, rue Bernard Gregory, 06560 Valbonne (France); Collard, E. [STMicroelectronics, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France); Alquier, D. [Universite Francois Rabelais, Tours, LMP, 16, rue Pierre et Marie Curie, BP 7155, 37071 Tours Cedex 2 (France)

    2011-09-15

    Highlights: {yields} N, P and N and P co-implantation in 3C-SiC. {yields} Closed to 100% of activation for N implanted/annealed sample at 1400 {sup o}C. {yields} Low surface roughness (<5 nm) after annealing by using carbon protective layer. {yields} Ultra-low SCR (2.6 x 10{sup -6} {Omega} cm{sup 2}) with Ti/Ni contact on N implanted/annealed sample. - Abstract: In this work, non-intentionally doped cubic silicon carbide (3C-SiC) epilayers grown on (1 0 0) silicon substrates were implanted using nitrogen (N), phosphorus (P) implantations or their co-implantation (N and P). After annealing from 1150 to 1400 {sup o}C, Secondary Ion Mass Spectroscopy (SIMS), Atomic Force Microscopy (AFM), Fourier Transformed InfraRed spectroscopy (FTIR), Scanning Spreading Resistance Microscopy (SSRM) and Scanning Transmission Electron Microscopy (STEM) analysis were performed. Specific contact resistances ({rho}{sub c}) of Ti/Ni ohmic contacts were determined using Circular Transfer Length Method (c-TLM) patterns. Our work shows that co-implantation, experimentally investigated for the first time in 3C-SiC, is not beneficial for the doping efficiency. According to the silicon substrate, the post-implantation annealing is limited to 1400 {sup o}C. Consecutively to this limit, the total recovering of the lattice does not seem to be possible, whatever are the implanted species. Moreover, as the crystal damages increase when increasing the atomic mass of the implanted species, a comparative study using SSRM measurements proved that, for the same post-implantation annealing treatment, the resistivity of implanted layers depend on the doping species. As a consequence, the lowest {rho}{sub c} value (2.8 x 10{sup -6} {Omega} cm{sup 2}) has been obtained (using Ti/Ni 25/100 nm pattern) for a 1400 {sup o}C-30 min annealing consecutively to the nitrogen implantation. This value is among the best values obtained on implanted 3C-SiC layers in the literature. Furthermore, for this annealing

  12. The Window Layer of μc-si(p)/c-si(n)/μc-si(n+) Heterojunction Solar Cell in Simulation and Optimization%微晶硅/晶体硅/微晶硅异质结太阳能电池窗口层的模拟计算与优化

    Institute of Scientific and Technical Information of China (English)

    杨大洋; 刘淑平; 张棚; 彭艳艳; 李德利

    2014-01-01

    采用Afors-het太阳能电池异质结模拟软件,模拟了不同工作温度下,微晶硅窗口层对μc-si(p)/c-si(n)/μc-si(p+)异质结太阳能电池性能的影响,结果表明:随着微晶硅窗口层带隙的增加,转化效率先增加后下降、开路电压不断增加;掺杂浓度的增加,电池性能整体呈现先上升后小幅下降的趋势;厚度的增加,电池的性能整体上呈现下降的趋势.随着工作温度的增加,微晶硅窗口层对应的最佳厚度和掺杂浓度值都有明显的减小趋势;但其对应的最佳带隙有明显的增加的趋势.该实验结果为在不同温度下工作的电池提供了商业化生产的实验参数.

  13. Acetaldehyde partial oxidation on the Au(111) model catalyst surface: C-C bond activation and formation of methyl acetate as an oxidative coupling product

    Science.gov (United States)

    Karatok, Mustafa; Vovk, Evgeny I.; Shah, Asad A.; Turksoy, Abdurrahman; Ozensoy, Emrah

    2015-11-01

    Partial oxidation of acetaldehyde (CH3CHO) on the oxygen pre-covered Au(111) single crystal model catalyst was investigated via Temperature Programmed Desorption (TPD) and Temperature Programmed Reaction Spectroscopy (TPRS) techniques, where ozone (O3) was utilized as the oxygen delivery agent providing atomic oxygen to the reacting surface. We show that for low exposures of O3 and small surface oxygen coverages, two partial oxidation products namely, methyl acetate (CH3COOCH3) and acetic acid (CH3COOH) can be generated without the formation of significant quantities of carbon dioxide. The formation of methyl acetate as the oxidative coupling reaction product implies that oxygen pre-covered Au(111) single crystal model catalyst surface can activate C-C bonds. In addition to the generation of these products; indications of the polymerization of acetaldehyde on the gold surface were also observed as an additional reaction route competing with the partial and total oxidation pathways. The interplay between the partial oxidation, total oxidation and polymerization pathways reveals the complex catalytic chemistry associated with the interaction between the acetaldehyde and atomic oxygen on catalytic gold surfaces.

  14. Preferential formation of 13C- 18O bonds in carbonate minerals, estimated using first-principles lattice dynamics

    Science.gov (United States)

    Schauble, Edwin A.; Ghosh, Prosenjit; Eiler, John M.

    2006-05-01

    Equilibrium constants for internal isotopic exchange reactions of the type: Ca12C18O16O2+Ca13C16O3↔Ca13C18O16O2+Ca12C16O3 for individual CO 32- groups in the carbonate minerals calcite (CaCO 3), aragonite (CaCO 3), dolomite (CaMg(CO 3) 2), magnesite (MgCO 3), witherite (BaCO 3), and nahcolite (NaHCO 3) are calculated using first-principles lattice dynamics. Calculations rely on density functional perturbation theory (DFPT) with norm-conserving planewave pseudopotentials to determine the vibrational frequencies of isotopically substituted crystals. Our results predict an ˜0.4‰ excess of 13C18O16O22- groups in all studied carbonate minerals at room-temperature equilibrium, relative to what would be expected in a stochastic mixture of carbonate isotopologues with the same bulk 13C/ 12C, 18O/ 16O, and 17O/ 16O ratios. The amount of excess 13C18O16O22- decreases with increasing temperature of equilibration, from 0.5‰ at 0 °C to <0.1‰ at 300 °C, suggesting that measurements of multiply substituted isotopologues of carbonate could be used to infer temperatures of ancient carbonate mineral precipitation and alteration events, even where the δ 18O of coexisting fluids is uncertain. The predicted temperature sensitivity of the equilibrium constant is ˜0.003‰/°C at 25 °C. Estimated equilibrium constants for the formation of 13C18O16O22- are remarkably uniform for the variety of minerals studied, suggesting that temperature calibrations will also be applicable to carbonate minerals not studied here without greatly compromising accuracy. A related equilibrium constant for the reaction: Ca12C18O16O2+Ca12C17O16O2↔Ca12C18O17O16O+Ca12C16O3 in calcite indicates formation of 0.1‰ excess 12C 18O 17O 16O 2- at 25 °C. In a conventional phosphoric acid reaction of carbonate to form CO 2 for mass-spectrometric analysis, molecules derived from 13C18O16O22- dominate (˜96%) the mass 47 signal, and 12C 18O 17O 16O 2- contributes most of the remainder (3%). This suggests

  15. Slow rate of phosphodiester bond formation accounts for the strong bias that Taq DNA polymerase shows against 2',3'-dideoxynucleotide terminators.

    Science.gov (United States)

    Brandis, J W; Edwards, S G; Johnson, K A

    1996-02-20

    Taq and T7 DNA polymerases have become basic molecular biology "tools" for DNA sequence analysis. However, Taq, unlike T7 DNA polymerase, is strongly biased against the incorporation of 2',3'-dideoxynucleotide triphosphates (ddNTPs) indicating very different substrate selectivities. Equilibrium binding and rate constants were measured for 2',3'-ddNTPs as well as for several other 3'-substituted terminators and compared to 2'-deoxynucleotide substrates (dNTPs). In steady-state experiments, Taq Pol I was strongly biased in favor of dATP1 over ddATP incorporation by about 700 to 1, in contrast to T7 DNA polymerase which showed a preference of only about 4 to 1. Manganese reduced but did not eliminate selectivity against 2',3'-ddNTPs. Transient kinetic traces indicated different rate-limiting steps for substrate and terminator incorporation. Further mechanistic studies showed that the binding constants for substrates and terminators were equivalent. However, the rate constants for phosphodiester bond formation for 2',3'-ddNTPs were 200-3000-fold lower than for dNTPs. Alternative terminators showed only slight improvements. The data were consistent with a model in which both substrates and terminators undergo ground-state binding followed by formation of a tight-binding Enz.DNA.Nucleotide complex. Immediately after complex formation, substrates undergo a rapid nucleoside phosphoryl transfer reaction. However, the reaction rates for terminators were slower presumably due to misalignment of reactive groups in the active site. Thus, the strong bias that Taq DNA polymerase shows against terminators is due to a very slow "chemistry" step. Such a strong bias has several kinetic consequences for DNA sequence patterns. These consequences are discussed in the text. PMID:8652560

  16. Interlaminar Shear Strength of Z Direction Reinforced Plain-woven C/SiC Composite%Z向增强平纹编织C/SiC复合材料层间剪切强度

    Institute of Scientific and Technical Information of China (English)

    刘(韦华); 矫桂琼

    2009-01-01

    碳纤维平纹编织物和穿透厚度的碳纤维Z-pins制作的预成型体,通过化学气相渗透工艺制备了Z-pins增强平纹编织C/SiC复合材料.采用双缺口剪切压缩试验测定了Z-pins增强平纹编织C/SiC复合材料的层间剪切强度,通过断口的电镜照片分析了层间剪切的破坏机理.研究了Z-pins个数对层间剪切强度的影响.结果表明:与未增强陶瓷基复合材料相比较,当Z-pins个数达到一定数量时,Z-pins插入能够提高层间剪切强度,层问剪切强度随Z-pins个数的增多而增加.Z-pins插入改变了陶瓷基复合材料的层间破坏机理,使层间织物与基体的脱离变为Z-pins的剪切破坏和层间织物与基体脱离的双重破坏机制.%A preform consisting of plain-woven carbon fabric and Z-pins made of through-thickness carbon fiber bundles was prepared and then the Z-pin reinforced plain-woven C/SiC composite was fabricated by a chemical vapor infiltration. Double-notched shear compression tests and scanning electron microscopy were used on Z-pin reinforced plain-woven C/SiC ceramic matrix composite to measure interlaminar shear strength and to analyze fracture mechanism of the interlaminar shear, respectively. Effect of the number of Z-pins on interlaminar shear strength was studied. The results show that the insertion of Z-pins improves interlaminar shear strength when the number of Z-pins reached a certain quantity comparing with the ceramic matrix composites without Z-pins, and interlaminar shear strength increases as the number of Z-pins increases. Z-pins change the interlaminar fracture mechanism of the ceramic matrix composites into a double fracture mechanism of Z-pin shear fracture and debonding of fabric and matrix of interlaminar.

  17. Copper wire bonding

    CERN Document Server

    Chauhan, Preeti S; Zhong, ZhaoWei; Pecht, Michael G

    2014-01-01

    This critical volume provides an in-depth presentation of copper wire bonding technologies, processes and equipment, along with the economic benefits and risks.  Due to the increasing cost of materials used to make electronic components, the electronics industry has been rapidly moving from high cost gold to significantly lower cost copper as a wire bonding material.  However, copper wire bonding has several process and reliability concerns due to its material properties.  Copper Wire Bonding book lays out the challenges involved in replacing gold with copper as a wire bond material, and includes the bonding process changes—bond force, electric flame off, current and ultrasonic energy optimization, and bonding tools and equipment changes for first and second bond formation.  In addition, the bond–pad metallurgies and the use of bare and palladium-coated copper wires on aluminum are presented, and gold, nickel and palladium surface finishes are discussed.  The book also discusses best practices and re...

  18. Progress in the Formation of Carbon-Hetero Bond Based on 2(5H)-Furanones%基于2(5H)-呋喃酮的碳-杂成键反应研究进展

    Institute of Scientific and Technical Information of China (English)

    谭越河; 李建晓; 洪文坤; 汪朝阳

    2011-01-01

    2(5H)-呋喃酮结构单元广泛存在于天然产物中,同时许多2(5H)-呋喃酮类化合物也是重要的有机合成中间体.因此,基于常见2(5H)-呋喃酮(1)的有机合成研究近年来引起了人们的关注.根据在有机合成反应中成键方式的不同,综述了在2(5H)-呋喃酮(1)环上形成C-O,C-N,C-S,C-P,C-Se,C-Si等碳-杂键的反应研究进展.%Recently, the organic synthesis based on 2(5H)-furanones (1) has attracted much attention owing to the unique carbon skeleton of 2(5H)-furanone which is widely present in a variety of natural products and their utility as valuable synthetic intermediates.Classified as different bond kinds, the progress in the formation reactions of carbon-oxygen bond, carbon-nitrogen bond, carbon-sulfur bond, carbon-phosphorus bond, carbon-selenium bond and carbon-silicon bond on 2(5H)-furanone ring is reviewed.

  19. The study of a new n/p tunnel recombination junction and its application in a-Si:H/μc-Si:H tandem solar cells

    Institute of Scientific and Technical Information of China (English)

    Li Gui-Jun; Hou Guo-Fu; Han Xiao-Yan; Yuan Yu-Jie; Wei Chang-Chun; Sun Jian; Zhao Yin; Geng Xin-Hua

    2009-01-01

    This paper reports that a double N layer(a-Si:H/μc-Si:H)is used to substitute the single microcrystalline siliconn layer(n-μc-Si:H)in n/p tunnel recombination junction between subcells in a-Si:H/μc-Si:H tandem solar cells.The electrical transport and optical properties of these tunnel recombination junctions are investigated by current-voltage measurement and transmission measurement.The new n/p tunnel recombination junction shows a better ohmic contact.In addition,the n/p interface is exposed to the air to examine the effect of oxidation on the tunnel recombination junction performance.The open circuit voltage and FF of a-Si:H/μc-Si:H tandem solar cell are all improved and the current leakage of the subcells can be effectively prevented efficiently when the new n/p junction is implemented as tunnel recombination junction.

  20. Simulation analysis of the effects of a back surface field on a p-a-Si:H/n-c-Si/n+-a-Si:H heterojunction solar cell

    Institute of Scientific and Technical Information of China (English)

    Hu Yuehui; Zhang Xiangwen; Qu Minghao; Wang Lifu; Zeng Tao; Xie Yaojiang

    2009-01-01

    In order to investigate the effects of a back surface field (BSF) on the performance of a p-doped amorphous silicon (p-a-Si:H)/n-doped crystalline silicon (n-c-Si) solar cell, a heterojunction solar cell with a p-a-Si:H/nc-Si/n+-a-Si:H structure was designed. An n+-a-Si:H film was deposited on the back of an n-c-Si wafer as the BSF.The photovoltaic performance of p-a-Si:H/n-c-Si/n+-a-Si:H solar cells were simulated. It was shown that the BSF of the p-a-Si:H/n-c-Si/n+-a-Si:H solar cells could effectively inhibit the decrease of the cell performance caused by interface states.

  1. Bond Issues.

    Science.gov (United States)

    Pollack, Rachel H.

    2000-01-01

    Notes trends toward increased borrowing by colleges and universities and offers guidelines for institutions that are considering issuing bonds to raise money for capital projects. Discussion covers advantages of using bond financing, how use of bonds impacts on traditional fund raising, other cautions and concerns, and some troubling aspects of…

  2. The influence of neutron-irradiation at low temperatures on the dielectric parameters of 3C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, J.A.A., E-mail: Japie.Engelbrecht@nmmu.ac.za [Physics Department, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Deyzel, G.; Minnaar, E.G.; Goosen, W.E. [Physics Department, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Rooyen, I.J. van [Fuel Performance and Design Department, Idaho National Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-6188 (United States)

    2014-04-15

    3C-SiC wafers were irradiated with neutrons of various fluences and at low (200–400 °C) irradiation temperatures. Fourier transform infrared (FTIR) reflectance spectra were obtained for the samples, and the spectra used to extract the dielectric parameters for each specimen, using statistical curve-fitting procedures. Analysis of all data revealed trends in reflectance peak heights as well as in the dielectric parameters. The surface roughness of the irradiated samples was measured by atomic force spectroscopy (AFM) and certain trends could be ascribed to surface roughness.

  3. EFFECTS OF HIGH TEMPERATURE PRETREATMENTS ON HIGH TEMPERATURE FRACTURE BEHAVIOR OF SiC-C/SiC

    Institute of Scientific and Technical Information of China (English)

    X.G. Luan; L.F. Cheng; S.R. Qiao; J. Zhang

    2004-01-01

    The samples made from a SiC-C/SiC composite were pretreated in Ar under creep,fatigue, creep and fatigue interaction, as well as in dry oxygen and wet oxygen under fatigue at 1300℃ for 15 hours. The fracture behaviors of the pretreated samples were investigated at 1300℃. The loading-strain curves and the microstructures of the sample were compared with each other. The various of high temperature tensile behaviors was attributed to the different microstructures resulted from different high temperature pretreatments.

  4. Synthesis of β-SiC/SiO_2 core-shell nanowires with the assistance of cerium oxide

    Institute of Scientific and Technical Information of China (English)

    于伟鹏; 郑瑛; 杨娥; 邱健斌; 兰瑞芳

    2010-01-01

    The β-SiC/SiO2 core-shell nanowires with the "stem-and-node" structure were synthesized in the presence of cerium oxide by the carbothermal reduction of the starch-SiO2 hybrids gel.The samples were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM),high-resolution transmission electron microscopy(HRTEM) and energy-dispersed X-ray(EDX).The results showed that the nanowires consisted of a 20-35 nm diameter crystalline β-SiC core wrapped with a 2-5 n...

  5. The influence of neutron-irradiation at low temperatures on the dielectric parameters of 3C-SiC

    International Nuclear Information System (INIS)

    3C-SiC wafers were irradiated with neutrons of various fluences and at low (200–400 °C) irradiation temperatures. Fourier transform infrared (FTIR) reflectance spectra were obtained for the samples, and the spectra used to extract the dielectric parameters for each specimen, using statistical curve-fitting procedures. Analysis of all data revealed trends in reflectance peak heights as well as in the dielectric parameters. The surface roughness of the irradiated samples was measured by atomic force spectroscopy (AFM) and certain trends could be ascribed to surface roughness.

  6. a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base

    Energy Technology Data Exchange (ETDEWEB)

    Rostan, Philipp Johannes

    2010-07-01

    This thesis reports on low temperature amorphous silicon back and front contacts for high-efficiency crystalline silicon solar cells with a p-type base. The back contact uses a sequence of intrinsic amorphous (i-a-Si:H) and boron doped microcrystalline (p-{mu}c-Si:H) silicon layers fabricated by Plasma Enhanced Chemical Vapor Deposition (PECVD) and a magnetron sputtered ZnO:Al layer. The back contact is finished by evaporating Al onto the ZnO:Al and altogether prepared at a maximum temperature of 220 C. Analysis of the electronic transport of mobile charge carriers at the back contact shows that the two high-efficiency requirements low back contact series resistance and high quality c-Si surface passivation are in strong contradiction to each other, thus difficult to achieve at the same time. The preparation of resistance- and effective lifetime samples allows one to investigate both requirements independently. Analysis of the majority charge carrier transport on complete Al/ZnO:Al/a-Si:H/c-Si back contact structures derives the resistive properties. Measurements of the effective minority carrier lifetime on a-Si:H coated wafers determines the back contact surface passivation quality. Both high-efficiency solar cell requirements together are analyzed in complete photovoltaic devices where the back contact series resistance mainly affects the fill factor and the back contact passivation quality mainly affects the open circuit voltage. The best cell equipped with a diffused emitter with random texture and a full-area a-Si:H/c-Si back contact has an independently confirmed efficiency {eta} = 21.0 % with an open circuit voltage V{sub oc} = 681 mV and a fill factor FF = 78.7 % on an area of 1 cm{sup 2}. An alternative concept that uses a simplified a-Si:H layer sequence combined with Al-point contacts yields a confirmed efficiency {eta} = 19.3 % with an open circuit voltage V{sub oc} = 655 mV and a fill factor FF = 79.5 % on an area of 2 cm{sup 2}. Analysis of the

  7. Ball-milling-induced polytypic transformation of 6H-SiC→3C-SiC

    Institute of Scientific and Technical Information of China (English)

    杨晓云; 石广元; 黄和鸾; 吴玉琨

    1999-01-01

    The results of X-ray diffraction (XRD) and high resolution electron microscopy (HREM) show that ball milling at room temperature can induce the polytypic transformation of 6H-SiC→3C-SiC. HREM study reveals that a large number of partial dislocations which play an important role in the transformation can be introduced into SiC crystals during BM by the instant and repeated collisions between balls and powder. The phase transformation follows the route: 6H= (3~+,3~-)→(4~+,2~-)→(5~+, 1~- )→(6~+ ,0~- ).

  8. Effect of wet-chemical substrate pretreatment on electronic interface properties and recombination losses of a -Si:H/c -Si and a -SiN{sub x}:H/c -Si hetero-interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Angermann, Heike; Conrad, Erhard; Korte, Lars; Schmidt, Manfred [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut fuer Silizium-Photovoltaik, Berlin (Germany); Wuensch, Frank; Kunst, Marinus [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institut Solare Brennstoffe und Energiespeichermaterialien, Berlin (Germany); Laades, Abdelazize; Stuerzebecher, Uta [CiS Institut fuer Mikrosensorik GmbH, SolarZentrum Erfurt (Germany)

    2011-03-15

    Surface charge, surface state density and interface recombination behavior on polished float zone (FZ) solar cell substrates were investigated after various wet-chemical pre-cleaning procedures and deposition of amorphous silicon (a-Si:H) or silicon nitride (a-SiNx:H). Applying surface photo voltage (SPV), microwave detected photo conductance decay ({mu}W-PCD) and transient microwave conduction (TRMC) measurements, electronic interface properties were monitored repeatedly during the preparation processes. As shown for an inverted a-Si:H/c-Si hetero-junction structure, with front side passivation by a-SiN{sub x}:H and a p-type a-Si:H emitter on the rear side, the effect of optimised wet-chemical pre-treatment can be preserved during the subsequent soft plasma enhanced chemical vapour deposition of a-Si:H or a-SiN{sub x}:H. This leads to hetero-interfaces with low interface recombination velocities. These results were compared to previously reported findings, obtained on textured Czochralski (CZ) single crystalline substrates. a-SiN{sub x}:H is known to result in a field effect passivation. Nevertheless a strong influence of wet-chemical treatments on surface charge and recombination losses was observed on both flat and textured a-SiN{sub x}:H/c-Si interfaces. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. SiC/SiC复合材料高温力学性能研究%Study on the High Temperature Properties of SiC/SiC Composites

    Institute of Scientific and Technical Information of China (English)

    谢巍杰; 陈明伟

    2016-01-01

    以聚碳硅烷为连续SiC陶瓷基体相的先驱体,三维四向SiC纤维预制体为增强相,采用聚合物先驱体浸渍裂解工艺制备了SiC纤维增强SiC陶瓷基(SiC/SiC)复合材料,分析表征了复合材料的组成、结构和力学性能.结果表明,SiC/SiC复合材料室温弯曲强度和断裂韧性分别为400 MPa和16.5 MPa·m1/2,优异的室温力学性能可以保持到1350℃.随着温度增加,弯曲强度基本不变,1350℃时因界面层受到破坏而断裂韧性稍有下降.

  10. Flexural strength assessment of SiC:Si3N4 refractories over processing parameters

    International Nuclear Information System (INIS)

    In this work the influence of the granulometric distribution, the effect of the nitridation atmosphere, and of the ferrous additions on flexural strength of silicon carbide bonded with silicon nitride refractory material were studied. The samples were obtained by direct nitridation at about 1.400 deg C of the green bodies prepared from silicon carbide with varying particle size distribution and metallic silicon powder mixture. The results show the possibility of a material improved homogeneity of the microstructure production by means of optimization of the particles packing in the green body. Addition of 2% of propane to the nitridation atmosphere is enabled to eliminate the defects caused by oxidation in a commercially produced material. For all studied compositions, as well as far all processing conditions investigated, no significant differences in the flexural strength values of resulting materials were observed for the entire temperature range(ambient up to 1.400 deg C)of mechanical tests performed. (author)

  11. 大尺寸大孔径C/SiO2复合导电材料的制备%Preparation of large-sized C/SiO2 macroporous conducting materials

    Institute of Scientific and Technical Information of China (English)

    龙能兵; 王秋景; 张瑞丰

    2011-01-01

    以大尺寸大孔径SiO2为模板,通过丙烯腈溶液浸渍、原位聚合、溶剂蒸发制备出聚丙烯腈(PAN)/SiO2复合物,再经800℃真空炭化处理得到大尺寸大孔径的C/SiO2复合材料。用SEM、FTIR、XPS和粉末XRD对样品结构进行表征。结果表明:SiO2模板特有的毛细管效应使复合物中PAN以薄膜形式包覆在SiO2材料的三维薄层上,且PAN膜的厚度可以通过调整聚合溶液中丙烯腈浓度及聚合物填充次数进行控制,炭膜的厚度与C/SiO2复合材料的表观电导率呈现一定的依赖关系。当聚合溶液中丙烯腈质量分数为33%时,经过两次原位聚合,所得到的C/SiO2复合材料的体积电阻为16Ω.cm,炭膜的平均厚度为16 nm,比表面积约为93 m2.g-1。%Polyacrylonitrile(PAN)/SiO2 composites were prepared by using large-sized macroporous silica as template,in which acrylonitrile solution was filled to perform in-situ polymerization followed by solvent evaporation.The PAN/SiO2 composites were carbonized in vacuum at 800 ℃ to obtain C/SiO2 composites.The samples were characterized by SEM,FTIR,XPS and XRD.The results show that the silica template has a strong capillarity effect,which makes PAN coated on the 3D silica layer as thin films.The thickness of the PAN film can be adjusted by changing the concentration of acrylonitrile in the polymerizing solution or the repeating times of the coating.The dependence of conductivity on the thickness of carbon film has also been observed.When the silica template is coated twice by a solution containing 33% mass fraction of acrylonitrile,the obtained C/SiO2 composites exhibit the volume resistance of 16 Ω·cm,and the average thickness of carbon film is 16 nm,while the BET surface area is 93 m2·g-1.

  12. Numerical Modeling of Oxidized 2D C/SiC Composites in Air Environments Below 900 °C: Microstructure and Elastic Properties

    Science.gov (United States)

    Sun, Zhigang; Chen, Xihui; Shao, Hongyan; Song, Yingdong

    2016-08-01

    A numerical model is presented for simulation of the oxidation-affected behaviors of two dimensional carbon fiber-reinforced silcon carbide matrix composite (2D C/SiC) exposed to air oxidizing environments below 900 °C, which incorporates the modeling of oxidized microstructure and computing of degraded elastic properties. This model is based upon the analysis of the representative volume cell (RVC) of the composite. The multi-scale model of 2D C/SiC composites is concerned in the present study. Analysis results of such a composite can provide a guideline for the real 2D C/SiC composite. The micro-structure during oxidation process is firstly modeled in the RVC. The elastic moduli of oxidized composite under non-stress oxidation environment is computed by finite element analysis. The elastic properties of 2D-C/SiC composites in air oxidizing environment are evaluated and validated in comparison to experimental data. The oxidation time, temperature and fiber volume fractions of C/SiC composite are investigated to show their influences upon the elastic properties of 2D C/SiC composites.

  13. Wide-Gap p-μc-Si1-xOx:H Films and Their Application to Amorphous Silicon Solar Cells

    Directory of Open Access Journals (Sweden)

    Taweewat Krajangsang

    2013-01-01

    Full Text Available Optimization of p-type hydrogenated microcrystalline silicon oxide thin films (p-μc-Si1-xOx:H by very high frequency plasma enhanced chemical vapor deposition 40 MHz method for use as a p-layer of a-Si:H solar cells was performed. The properties of p-μc-Si1-xOx:H films were characterized by conductivity, Raman scattering spectroscopy, and spectroscopic ellipsometry. The wide optical band gap p-μc-Si1-xOx:H films were optimized by CO2/SiH4 ratio and H2/SiH4 dilution. Besides, the effects of wide-gap p-μc-Si1-xOx:H layer on the performance of a-Si:H solar cells with various optical band gaps of p-layer were also investigated. Furthermore, improvements of open circuit voltage, short circuit current, and performance of the solar cells by using the effective wide-gap p-μc-Si1-xOx:H were observed in this study. These results indicate that wide-gap p-μc-Si1-xOx:H is promising to use as window layer in a-Si:H solar cells.

  14. Calorimetric and computational study of thiacyclohexane 1-oxide and thiacyclohexane 1,1-dioxide (thiane sulfoxide and thiane sulfone). Enthalpies of formation and the energy of the S=O bond.

    Science.gov (United States)

    Roux, María Victoria; Temprado, Manuel; Jiménez, Pilar; Dávalos, Juan Zenón; Notario, Rafael; Guzmán-Mejía, Ramón; Juaristi, Eusebio

    2003-03-01

    A rotating-bomb combustion calorimeter specifically designed for the study of sulfur-containing compounds [J. Chem. Thermodyn. 1999, 31, 635] has been used for the determination of the enthalpy of formation of thiane sulfone, 4, Delta(f)H(o) m(g) = -394.8 +/- 1.5 kJ x mol(-1). This value stands in stark contrast with the enthalpy of formation reported for thiane itself, Delta(f)H(o) m(g) = -63.5 +/- 1.0 kJ x mol(-1), and gives evidence of the increased electronegativity of the sulfur atom in the sulfonyl group, which leads to significantly stronger C-SO2 bonds. Given the known enthalpy of formation of atomic oxygen in the gas phase, Delta(f)H(o) m(O,g) = +249.18 kJ x mol(-1), and the reported bond dissociation energy for the S=O bond in alkyl sulfones, BDE(S=O) = +470.0 kJ x mol(-1), it was possible to estimate the enthalpy of formation of thiane sulfoxide, 5, a hygroscopic compound not easy to use in experimental calorimetric measurements, Delta(f)H(o) m(5) = -174.0 kJ x mol(-1). The experimental enthalpy of formation of both 4 and 5 were closely reproduced by theoretical calculations at the G2(MP2)+ level, Delta(f)H(o) m(4) = -395.0 kJ x mol(-1) and Delta(f)H(o) m(5) = -178.0 kJ x mol(-1). Finally, calculated G2(MP2)+ values for the bond dissociation energy of the S=O bond in cyclic sulfoxide 5 and sulfone 4 are +363.7 and +466.2 kJ x mol(-1), respectively.

  15. Phylogeny of the Vitamin K 2,3-Epoxide Reductase (VKOR) Family and Evolutionary Relationship to the Disulfide Bond Formation Protein B (DsbB) Family.

    Science.gov (United States)

    Bevans, Carville G; Krettler, Christoph; Reinhart, Christoph; Watzka, Matthias; Oldenburg, Johannes

    2015-07-29

    In humans and other vertebrate animals, vitamin K 2,3-epoxide reductase (VKOR) family enzymes are the gatekeepers between nutritionally acquired K vitamins and the vitamin K cycle responsible for posttranslational modifications that confer biological activity upon vitamin K-dependent proteins with crucial roles in hemostasis, bone development and homeostasis, hormonal carbohydrate regulation and fertility. We report a phylogenetic analysis of the VKOR family that identifies five major clades. Combined phylogenetic and site-specific conservation analyses point to clade-specific similarities and differences in structure and function. We discovered a single-site determinant uniquely identifying VKOR homologs belonging to human pathogenic, obligate intracellular prokaryotes and protists. Building on previous work by Sevier et al. (Protein Science 14:1630), we analyzed structural data from both VKOR and prokaryotic disulfide bond formation protein B (DsbB) families and hypothesize an ancient evolutionary relationship between the two families where one family arose from the other through a gene duplication/deletion event. This has resulted in circular permutation of primary sequence threading through the four-helical bundle protein folds of both families. This is the first report of circular permutation relating distant a-helical membrane protein sequences and folds. In conclusion, we suggest a chronology for the evolution of the five extant VKOR clades.

  16. Formation of cationic [RP5Cl](+)-cages via insertion of [RPCl](+)-cations into a P-P bond of the P4 tetrahedron.

    Science.gov (United States)

    Holthausen, Michael H; Feldmann, Kai-Oliver; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J

    2012-03-19

    Fluorobenzene solutions of RPCl(2) and a Lewis acid such as ECl(3) (E = Al, Ga) in a 1:1 ratio are used as reactive sources of chlorophosphenium cations [RPCl](+), which insert into P-P bonds of dissolved P(4). This general protocol represents a powerful strategy for the synthesis of new cationic chloro-substituted organophosphorus [RP(5)Cl](+)-cages as illustrated by the isolation of several monocations (21a-g(+)) in good to excellent yields. For singular reaction two possible reaction mechanisms are proposed on the basis of quantum chemical calculations. The intriguing NMR spectra and structures of the obtained cationic [RP(5)Cl](+)-cages are discussed. Furthermore, the reactions of dichlorophosphanes and the Lewis acid GaCl(3) in various stoichiometries are investigated to obtain a deeper understanding of the species involved in these reactions. The formation of intermediates such as RPCl(2)·GaCl(3) (14) adducts, dichlorophosphanylchlorophosphonium cations [RPCl(2)-RPCl](+) (16(+)) and [RPCl(2)-RPCl-GaCl(3)](+) (17(+)) in reaction mixtures of RPCl(2) and GaCl(3) in fluorobenzene strongly depends on the basicity of the dichlorophosphane RPCl(2) (R = tBu, Cy, iPr, Et, Me, Ph, C(6)F(5)) and the reaction stoichiometry.

  17. Performance improvement of n-i-p μc-Si:H solar cells by gradient hydrogen dilution technique

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    High pressure radio frequency plasma enhanced chemical vapor deposition(RF-PECVD)process was adopted to investigate the effect of constant hydrogen dilution technique and gradient hydrogen dilu-tion technique on the structural evolution of intrinsic films and the performance of n-i-p microcrystal-line silicon solar cells.The experiment results demonstrated that the grain size and crystalline volume fraction along the growth direction of intrinsic films can be controlled and the performance of solar cells can be greatly improved by gradient hydrogen dilution technique.An initial active-area efficiency of 5.7%(Voc=0.47V,Jsc=20.2mA/cm2,FF=60%)for the μc-Si:H single-junction n-i-p solar cells and an initial active-area efficiency of 10.12%(Voc=1.2V,Jsc=12.05mA/cm2,FF=70%)for the a-Si:H/μc-Si:H tandem n-i-p solar cells has been achieved.

  18. Modeling Forced Flow Chemical Vapor Infiltration Fabrication of SiC-SiC Composites for Advanced Nuclear Reactors

    Directory of Open Access Journals (Sweden)

    Christian P. Deck

    2013-01-01

    Full Text Available Silicon carbide fiber/silicon carbide matrix (SiC-SiC composites exhibit remarkable material properties, including high temperature strength and stability under irradiation. These qualities have made SiC-SiC composites extremely desirable for use in advanced nuclear reactor concepts, where higher operating temperatures and longer lives require performance improvements over conventional metal alloys. However, fabrication efficiency advances need to be achieved. SiC composites are typically produced using chemical vapor infiltration (CVI, where gas phase precursors flow into the fiber preform and react to form a solid SiC matrix. Forced flow CVI utilizes a pressure gradient to more effectively transport reactants into the composite, reducing fabrication time. The fabrication parameters must be well understood to ensure that the resulting composite has a high density and good performance. To help optimize this process, a computer model was developed. This model simulates the transport of the SiC precursors, the deposition of SiC matrix on the fiber surfaces, and the effects of byproducts on the process. Critical process parameters, such as the temperature and reactant concentration, were simulated to identify infiltration conditions which maximize composite density while minimizing the fabrication time.

  19. Performance improvement of n-i-p μc-Si:H solar cells by gradient hydrogen dilution technique

    Institute of Scientific and Technical Information of China (English)

    YUAN YuJie; HOU GuoFu; ZHANG JianJun; XUE JunMing; CAO LiRan; ZHAO Ying; GENG XinHua

    2009-01-01

    High pressure radio frequency plasma enhanced chemical vapor deposition (RF-PECVD) process was adopted to investigate the effect of constant hydrogen dilution technique and gradient hydrogen dilu-tion technique on the structural evolution of intrinsic films and the performance of noi-p microcrystal-line silicon solar cells. The experiment results demonstrated that the grain size and crystalline volume fraction along the growth direction of intrinsic films can be controlled and the performance of solar cells can be greatly improved by gradient hydrogen dilution technique. An initial active-area efficiency of 5.7% (Voc=0.47 V, Jsc=20.2 mA/cm2, FF=60%) for the μc-Si:H single-junction n-i-p solar cells and an initial active-area efficiency of 10.12% (Voc=1.2 V, Jsc=12.05 mA/cm2, FF=70%) for the a-Si:H/μc-Si:H tandem n-i-p solar cells has been achieved.

  20. LAMMPS Framework for Directional Dynamic Bonding

    DEFF Research Database (Denmark)

    2012-01-01

    and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework.......We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled...... to limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected triplets and quartets of beads, where the interaction type is determined from the local pattern of bead...

  1. Palladium(ii)-catalyzed C-C and C-O bond formation for the synthesis of C1-benzoyl isoquinolines from isoquinoline N-oxides and nitroalkenes.

    Science.gov (United States)

    Li, Jiu-Ling; Li, Wei-Ze; Wang, Ying-Chun; Ren, Qiu; Wang, Heng-Shan; Pan, Ying-Ming

    2016-08-01

    C1-Benzoyl isoquinolines can be generated via a palladium(ii)-catalyzed C-C and C-O coupling of isoquinoline N-oxides with aromatic nitroalkenes. The reaction proceeds through remote C-H bond activation and subsequent intramolecular oxygen atom transfer (OAT). In this reaction, the N-O bond was designed as a directing group in the C-H bond activation as well as the source of an oxygen atom. PMID:27443150

  2. Defect-Induced Nucleation and Epitaxy: A New Strategy toward the Rational Synthesis of WZ-GaN/3C-SiC Core-Shell Heterostructures.

    Science.gov (United States)

    Liu, Baodan; Yang, Bing; Yuan, Fang; Liu, Qingyun; Shi, Dan; Jiang, Chunhai; Zhang, Jinsong; Staedler, Thorsten; Jiang, Xin

    2015-12-01

    In this work, we demonstrate a new strategy to create WZ-GaN/3C-SiC heterostructure nanowires, which feature controllable morphologies. The latter is realized by exploiting the stacking faults in 3C-SiC as preferential nucleation sites for the growth of WZ-GaN. Initially, cubic SiC nanowires with an average diameter of ∼100 nm, which display periodic stacking fault sections, are synthesized in a chemical vapor deposition (CVD) process to serve as the core of the heterostructure. Subsequently, hexagonal wurtzite-type GaN shells with different shapes are grown on the surface of 3C-SiC wire core. In this context, it is possible to obtain two types of WZ-GaN/3C-SiC heterostructure nanowires by means of carefully controlling the corresponding CVD reactions. Here, the stacking faults, initially formed in 3C-SiC nanowires, play a key role in guiding the epitaxial growth of WZ-GaN as they represent surface areas of the 3C-SiC nanowires that feature a higher surface energy. A dedicated structural analysis of the interfacial region by means of high-resolution transmission electron microscopy (HRTEM) revealed that the disordering of the atom arrangements in the SiC defect area promotes a lattice-matching with respect to the WZ-GaN phase, which results in a preferential nucleation. All WZ-GaN crystal domains exhibit an epitaxial growth on 3C-SiC featuring a crystallographic relationship of [12̅10](WZ-GaN) //[011̅](3C-SiC), (0001)(WZ-GaN)//(111)(3C-SiC), and d(WZ-GaN(0001)) ≈ 2d(3C-SiC(111)). The approach to utilize structural defects of a nanowire core to induce a preferential nucleation of foreign shells generally opens up a number of opportunities for the epitaxial growth of a wide range of semiconductor nanostructures which are otherwise impossible to acquire. Consequently, this concept possesses tremendous potential for the applications of semiconductor heterostructures in various fields such as optics, electrics, electronics, and photocatalysis for energy harvesting

  3. Bond Growth under Temperature Gradient.

    Directory of Open Access Journals (Sweden)

    P.K. Satyawali

    1999-12-01

    Full Text Available Grain and bond growth for dry snow are determined by the distribution of temperature andtemperature gradient in the snow matrix. From the standpoint of particle approach and based oncubic packing structure, a bond growth model has been developed for TG metamorphism. The paper.highlights the importance of bond formation and its effect on snow viscosity and finally on the rateof settlement. This is very important for developing a numerical snow pack model if microstructureis considered to be a basic parameter. A few experiments have been carried out to validate bond formation under temperature gradient.

  4. Back Surface Field of Mc-Si(n)/c-Si(p)Heterojunction Solar Cells by Simulation and Optimization%μc-Si(n)/c-Si(p)异质结太阳电池微晶硅背场的模拟与优化

    Institute of Scientific and Technical Information of China (English)

    李力猛; 周炳卿; 陈霞; 韩兵; 郝丽媛

    2009-01-01

    采用AFORS-HET软件模拟了微晶硅背场对μc-si(n)/c-si(p)异质结太阳电池性能的影响.结果显示:微晶硅背场的厚度对电池性能影响较小;而随着背场掺杂浓度的提高,短路电流和填充因子都逐渐提高,太阳电池效率随之增大;随着带隙的增大,短路电流和效率均是先增大,当带隙超过1.55ev时逐渐变小.当微晶硅背场的厚度为10nm,掺杂浓度为3×1018/cm3,带隙为1.55ev时,太阳电池的转化效率最高,达到21.8%.

  5. Formation of a dinuclear copper(II) complex through the cleavage of CBond' name='Single-Bond' value='Single-Bond'/>N bond of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole

    Energy Technology Data Exchange (ETDEWEB)

    Shardin, Rosidah; Pui, Law Kung; Yamin, Bohari M. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia); Kassim, Mohammad B. [School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor, Malaysia and Fuel Cell Institute, Universiti Kebangsaan Malaysia, UKM 43600 Bangi, Selangor (Malaysia)

    2014-09-03

    A simple mononuclear octahedral copper(II) complex was attempted from the reaction of three moles of 1-benzoyl-3-(pyridin-2-yl)-1H-pyrazole and one mole of copper(II) perchlorate hexahydrate in methanol. However, the product of the reaction was confirmed to be a dinuclear copper(II) complex with μ-(3-(pyridin-2-yl)-pyrazolato) and 3-(pyridin-2-yl)-1H-pyrazole ligands attached to each of the Cu(II) centre atom. The copper(II) ion assisted the cleavage of the C{sub benzoyl}Bond' name='Single-Bond' value='Single-Bond'/>N bond afforded a 3-(pyridin-2-yl)-1H-pyrazole molecule. Deprotonation of the 3-(pyridin-2-yl)-1H-pyrazole gave a 3-(pyridin-2-yl)-pyrazolato, which subsequently reacted with the Cu(II) ion to give the (3-(pyridin-2-yl)-pyrazolato)(3-(pyridin-2-yl)-1H-pyrazole)Cu(II) product moiety. The structure of the dinuclear complex was confirmed by x-ray crystallography. The complex crystallized in a monoclinic crystal system with P2(1)/n space group and cell dimensions of a = 12.2029(8) Å, b = 11.4010(7) Å, c = 14.4052(9) Å and β = 102.414(2)°. The compound was further characterized by mass spectrometry, CHN elemental analysis, infrared and UV-visible spectroscopy and the results concurred with the x-ray structure. The presence of d-d transition at 671 nm (ε = 116 dm{sup 3} mol{sup −1} cm{sup −1}) supports the presence of Cu(II) centres.

  6. Parental Bonding

    Directory of Open Access Journals (Sweden)

    T. Paul de Cock

    2014-08-01

    Full Text Available Estimating the early parent–child bonding relationship can be valuable in research and practice. Retrospective dimensional measures of parental bonding provide a means for assessing the experience of the early parent–child relationship. However, combinations of dimensional scores may provide information that is not readily captured with a dimensional approach. This study was designed to assess the presence of homogeneous groups in the population with similar profiles on parental bonding dimensions. Using a short version of the Parental Bonding Instrument (PBI, three parental bonding dimensions (care, authoritarianism, and overprotection were used to assess the presence of unobserved groups in the population using latent profile analysis. The class solutions were regressed on 23 covariates (demographics, parental psychopathology, loss events, and childhood contextual factors to assess the validity of the class solution. The results indicated four distinct profiles of parental bonding for fathers as well as mothers. Parental bonding profiles were significantly associated with a broad range of covariates. This person-centered approach to parental bonding has broad utility in future research which takes into account the effect of parent–child bonding, especially with regard to “affectionless control” style parenting.

  7. Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3 ×3 )-3 C -SiC (1 ¯ ¯ ā) reconstruction

    Science.gov (United States)

    Nemec, Lydia; Lazarevic, Florian; Rinke, Patrick; Scheffler, Matthias; Blum, Volker

    2015-04-01

    We address the stability of the surface phases that occur on the C side of 3 C -SiC (1 ¯1 ¯1 ¯) at the onset of graphene formation. In this growth range, experimental reports reveal a coexistence of several surface phases. This coexistence can be explained by a Si-rich model for the unknown (3 ×3 ) reconstruction, the known (2 ×2 )C adatom phase, and the graphene-covered (2 ×2)C phase. By constructing an ab initio surface phase diagram using a van der Waals corrected density functional, we show that the formation of a well defined interface structure like the "buffer layer" on the Si side is blocked by Si-rich surface reconstructions.

  8. Cryogenic optical measurements of 12-segment-bonded carbon-fiber-reinforced silicon carbide composite mirror with support mechanism

    Science.gov (United States)

    Kaneda, Hidehiro; Nakagawa, Takao; Onaka, Takashi; Enya, Keigo; Makiuti, Sin'itirou; Takaki, Junji; Haruna, Masaki; Kume, Masami; Ozaki, Tsuyoshi

    2008-03-01

    A 720 mm diameter 12-segment-bonded carbon-fiber-reinforced silicon carbide (C/SiC) composite mirror has been fabricated and tested at cryogenic temperatures. Interferometric measurements show significant cryogenic deformation of the C/SiC composite mirror, which is well reproduced by a model analysis with measured properties of the bonded segments. It is concluded that the deformation is due mostly to variation in coefficients of thermal expansion among segments. In parallel, a 4-degree-of-freedom ball-bearing support mechanism has been developed for cryogenic applications. The C/SiC composite mirror was mounted on an aluminum base plate with the support mechanism and tested again. Cryogenic deformation of the mirror attributed to thermal contraction of the aluminum base plate via the support mechanism is highly reduced by the support, confirming that the newly developed support mechanism is promising for its future application to large-aperture cooled space telescopes.

  9. Erythromycin, roxithromycin, and clarithromycin: use of slow-binding kinetics to compare their in vitro interaction with a bacterial ribosomal complex active in peptide bond formation.

    Science.gov (United States)

    Dinos, George P; Connell, Sean R; Nierhaus, Knud H; Kalpaxis, Dimitrios L

    2003-03-01

    In a cell-free system derived from Escherichia coli, it is shown that clarithromycin and roxithromycin, like their parent compound erythromycin, do not inhibit the puromycin reaction (i.e., the peptide bond formation between puromycin and AcPhe-tRNA bound at the P-site of 70S ribosomes programmed with heteropolymeric mRNA). Nevertheless, all three antibiotics compete for binding on the ribosome with tylosin, a 16-membered ring macrolide that behaves as a slow-binding, slowly reversible inhibitor of peptidyltransferase. The mutually exclusive binding of these macrolides to ribosomes is also corroborated by the fact that they protect overlapping sites in domain V of 23S rRNA from chemical modification by dimethyl sulfate. From this competition effect, detailed kinetic analysis revealed that roxithromycin or clarithromycin (A), like erythromycin, reacts rapidly with AcPhe-tRNA.MF-mRNA x 70S ribosomal complex (C) to form the encounter complex CA which is then slowly isomerized to a more tight complex, termed C*A. The value of the overall dissociation constant, K, encompassing both steps of macrolide interaction with complex C, is 36 nM for erythromycin, 20 nM for roxithromycin, and 8 nM for clarithromycin. Because the off-rate constant of C*A complex does not significantly differ among the three macrolides, the superiority of clarithromycin as an inhibitor of translation in E. coli cells and many Gram-positive bacteria may be correlated with its greater rate of association with ribosomes. PMID:12606769

  10. Tensile Creep properties of 2.5D C/SiCN Composite Prepared by Electro-thermal Pyrolysis CVD%电热解化学气相沉积法制备2.5D C/SiCN复合材料的蠕变性能

    Institute of Scientific and Technical Information of China (English)

    夏熠; 乔生儒; 王强强

    2013-01-01

    The vacuum tensile creep properties of 2.5 D carbon fiber-reinforced SiCN matrix composite (C/SiCN) were investgated. The influence of tensile creep on the microstructure, mass and electric resistance of the C/SiCNs un-annealed and annealed at 1 900℃ were analyzed via scanning electron microscopy and mass/electric resistance examination. The results indicate that the tensile creep causes some damages like matrix cracks propagation, interface debonding, fiber stretching and sliding. The mass losses are attributed to the amorphous SiCN, which is promoted by the tensile creep process. The electric resistance of C/SiCN firstly decreases and then increases. The variation of electric resistance is consistent with the microstructure change caused by creep damage. The-C/SiCN annealed at 1 900℃ has an excellent stabilization effect, exhibiting the smaller structure, mass and electric resistance changes rather than the C/SiCN un-annealed.%  研究了2.5D碳纤维增强SiCN陶瓷基复合材料(C/SiCN)的真空高温拉伸蠕变性能。分别以未热处理及1900℃真空热处理C/SiCN复合材料为研究对象,借助扫描电子显微镜、高精度光电天平及电阻仪研究了蠕变过程中C/SiCN的组织结构、质量及电阻的变化。结果表明:真空拉伸蠕变造成C/SiCN内的裂纹扩展,界面脱粘,纤维滑动、拉直及断裂等蠕变损伤;非晶SiCN基体的晶化造成C/SiCN的质量损失,蠕变过程进一步促进了SiCN晶化,加剧质量损失;C/SiCN的电阻在最初阶段下降,随时间增加逐渐升高,其变化受显微组织结构变化影响。真空预热处理的C/SiCN在蠕变过程中的显微结构、质量、电阻变化更小,体现了良好的稳定效果。

  11. SiC-Si as a support material for oxygen evolution electrode in PEM steam electrolysers

    DEFF Research Database (Denmark)

    Nikiforov, Aleksey; Tomás García, Antonio Luis; Petrushina, Irina;

    2011-01-01

    were electrochemically characterized by cyclic voltammetry experiments at 25, 80, 120 and 150°C. The results indicate an improvement in catalyst activity with the addition of the support. This was attributed to the mentioned variation in particle size and a different packing of catalyst particles...... was synthesized following the Adams fusion method. The obtained powder was characterized with different techniques. XRD and Nitrogen adsorption experiments showed the influence of the support particles in the surface properties of the IrO2 particles, mainly affecting the IrO2 particle size. The prepared catalysts......, which could favor the formation of channels and pores between particles, thus increasing the catalyst utilization. Electric conductivity tests were performed on the powder samples, showing a very low conductivity of the support compared to the active phase. The conductivity of the supported catalysts...

  12. Manufacturing Metrology for c-Si Photovoltaic Module Reliability and Durability, Part I: Feedstock, Crystallization and Wafering

    Energy Technology Data Exchange (ETDEWEB)

    Seigneur, Hubert; Mohajeri, Nahid; Brooker, R. Paul; Davis, Kristopher O.; Schneller, Eric J.; Dhere, Neelkanth G.; Rodgers, Marianne P.; Wohlgemuth, John; Shiradkar, Narendra S.; Scardera, Giuseppe; Rudack, Andrew C.; Schoenfeld, Winston V.

    2016-06-01

    This article is the first in a three-part series of manufacturing metrology for c-Si photovoltaic (PV) module reliability and durability. Here in Part 1 we focus on the three primary process steps for making silicon substrates for PV cells: (1) feedstock production; (2) ingot and brick production; and (3) wafer production. Each of these steps can affect the final reliability/durability of PV modules in the field with manufacturing metrology potentially playing a significant role. This article provides a comprehensive overview of historical and current processes in each of these three steps, followed by a discussion of associated reliability challenges and metrology strategies that can be employed for increased reliability and durability in resultant modules. Gaps in the current state of understanding in connective metrology data during processing to reliability/durability in the field are then identified along with suggested improvements that should be considered by the PV community.

  13. Microscopic and macroscopic characterization of the charging effects in SiC/Si nanocrystals/SiC sandwiched structures

    International Nuclear Information System (INIS)

    Microscopic charge injection into the SiC/Si nanocrystals/SiC sandwiched structures through a biased conductive AFM tip is subsequently characterized by both electrostatic force microscopy and Kelvin probe force microscopy (KPFM). The charge injection and retention characteristics are found to be affected by not only the band offset at the Si nanocrystals/SiC interface but also the doping type of the Si substrate. On the other hand, capacitance–voltage (C–V) measurements investigate the macroscopic charging effect of the sandwiched structures with a thicker SiC capping layer, where the charges are injected from the Si substrates. The calculated macroscopic charging density is 3–4 times that of the microscopic one, and the possible reason is the underestimation of the microscopic charging density caused by the averaging effect and detection delay in the KPFM measurements. (paper)

  14. Activation and control of visible single defects in 4H-, 6H-, and 3C-SiC by oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Lohrmann, A.; Klein, J. R.; Prawer, S.; McCallum, J. C. [School of Physics, The University of Melbourne, Victoria 3010 (Australia); Castelletto, S. [School of Engineering, RMIT University, Melbourne, Victoria 3001 (Australia); Ohshima, T. [SemiConductor Analysis and Radiation Effects Group, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Bosi, M.; Negri, M. [IMEM-CNR Institute, Parco Area delle Scienze 37/A, 43124 Parma (Italy); Lau, D. W. M.; Gibson, B. C. [ARC Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, Victoria 3001 (Australia); Johnson, B. C. [ARC Centre of Excellence for Quantum Computing and Communication Technology, School of Physics, University of Melbourne, Victoria 3010 (Australia)

    2016-01-11

    In this work, we present the creation and characterisation of single photon emitters at the surface of 4H- and 6H-SiC, and of 3C-SiC epitaxially grown on silicon. These emitters can be created by annealing in an oxygen atmosphere at temperatures above 550 °C. By using standard confocal microscopy techniques, we find characteristic spectral signatures in the visible region. The excited state lifetimes are found to be in the nanosecond regime in all three polytypes, and the emission dipoles are aligned with the lattice. HF-etching is shown to effectively annihilate the defects and to restore an optically clean surface. The defects described in this work have ideal characteristics for broadband single photon generation in the visible spectral region at room temperature and for integration into nanophotonic devices.

  15. a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base

    Energy Technology Data Exchange (ETDEWEB)

    Rostan, Philipp Johannes

    2010-07-01

    This thesis reports on low temperature amorphous silicon back and front contacts for high-efficiency crystalline silicon solar cells with a p-type base. The back contact uses a sequence of intrinsic amorphous (i-a-Si:H) and boron doped microcrystalline (p-{mu}c-Si:H) silicon layers fabricated by Plasma Enhanced Chemical Vapor Deposition (PECVD) and a magnetron sputtered ZnO:Al layer. The back contact is finished by evaporating Al onto the ZnO:Al and altogether prepared at a maximum temperature of 220 C. Analysis of the electronic transport of mobile charge carriers at the back contact shows that the two high-efficiency requirements low back contact series resistance and high quality c-Si surface passivation are in strong contradiction to each other, thus difficult to achieve at the same time. The preparation of resistance- and effective lifetime samples allows one to investigate both requirements independently. Analysis of the majority charge carrier transport on complete Al/ZnO:Al/a-Si:H/c-Si back contact structures derives the resistive properties. Measurements of the effective minority carrier lifetime on a-Si:H coated wafers determines the back contact surface passivation quality. Both high-efficiency solar cell requirements together are analyzed in complete photovoltaic devices where the back contact series resistance mainly affects the fill factor and the back contact passivation quality mainly affects the open circuit voltage. The best cell equipped with a diffused emitter with random texture and a full-area a-Si:H/c-Si back contact has an independently confirmed efficiency {eta} = 21.0 % with an open circuit voltage V{sub oc} = 681 mV and a fill factor FF = 78.7 % on an area of 1 cm{sup 2}. An alternative concept that uses a simplified a-Si:H layer sequence combined with Al-point contacts yields a confirmed efficiency {eta} = 19.3 % with an open circuit voltage V{sub oc} = 655 mV and a fill factor FF = 79.5 % on an area of 2 cm{sup 2}. Analysis of the

  16. Matrix Cracking in Four Different 2D SiC/SiC Composite Systems

    Science.gov (United States)

    Morscher, Gregory N.

    2003-01-01

    Silicon carbide fiber reinforced, silicon carbide matrix composites are some of the most advanced composite systems for high-temperature, high-stress applications in oxidizing environments. A basic area that needs to be understood for the purpose of material behavior modeling and optimization is the architectural, constituent, and mechanistic factors that contribute to non-linear stress-strain behavior. The mechanism that causes non-linear stress-strain in dense-matrix composites is the formation and propagation of bridged matrix cracks. In addition, the occurrence and propagation of matrix cracks controls the time-dependent strength-properties of these materials in oxidizing environments at elevated temperatures. A modal acoustic emission technique has been used to monitor and estimate the stress-dependent matrix cracking. Two different SiC matrix systems, chemical vapor infiltrated (CVI) and melt-infiltrated (MI), with two different SiC fiber reinforcement, Hi-Nicalon (trademark) and Sylramic (trademark) were compared. Even though the averages of the range where matrix cracking occurred for the composites varied by more than 0.1% in strain and almost 200 MPa in stress, the range or distribution for matrix cracking could be reduced to a narrow band of stress for CVI SiC and MI SiC composites if it were assumed that all matrix cracks emanate outside of the load-bearing fiber, interphase, CVI preform minicomposite. A simple relationship was determined to describe stress-dependent matrix cracking which can then be used to estimate the onset of large, bridged matrix cracks or for material behavior models.

  17. Interface structure and formation mechanism of vacuum-free vibration liquid phase diffusion-bonded joints of SiCp/ZL101A composites

    Institute of Scientific and Technical Information of China (English)

    YAN Jiu-chun; XU Hui-bin; XU Zhi-wu; LI Da-cheng; YANG Shi-qin

    2005-01-01

    The vacuum-free vibration liquid phase(VLP) diffusion-bonding of SiCp/ZL101A composites was investigated. The effects of vibration on the interface structure, the phase transformation and the tensile strength of bonded joints were examined. Experimental results show that the oxide film on the surface of the composites is a key factor affecting the tensile strength of boned joints. The distribution of the oxide layers at the interface changes from a continuous line to a discontinuous one during vibration. The tensile strength of the VLP diffusion-bonded joints increases with the vibration time, and is up to the maximum of 172 MPa when the vibration time is 30 s. The phase structure of the bond region changes from the Zn-Al-Cu hyper-eutectic (η+ (β+ η)+(β+η+ε)) phases to Al-rich Al-base solid solution (α-Al) with increasing the vibration time.

  18. Inhibition of Hotspot Formation in Polymer Bonded Explosives Using an Interface Matching Low Density Polymer Coating at the Polymer–Explosive Interface

    OpenAIRE

    An, Qi; Goddard, William A.; Zybin, Sergey V.; Luo, Sheng-Nian

    2014-01-01

    In order to elucidate how shocks in heterogeneous materials affect decomposition and reactive processes, we used the ReaxFF reactive force field in reactive molecules dynamics (RMD) simulations of the effects of strong shocks (2.5 and 3.5 km/s) on a prototype polymer bonded explosive (PBX) consisting of cyclotrimethylene trinitramine (RDX) bonded to hydroxyl-terminated polybutadiene (HTPB). We showed earlier that shock propagation from the high density RDX to the low density polymer (RDX → Po...

  19. Copper-Catalyzed Redox-Triggered Remote C-H Functionalization: Highly Selective Formation of C-CF3 and C-O Bonds

    Institute of Scientific and Technical Information of China (English)

    Taotao Li; Peng Yu; Jin-Shun Lin; Yonggang Zhi; Xin-Yuan Liu

    2016-01-01

    A Cu-catalyzed remote sp3 C-H/unactivated alkenes functionalization reaction for the concomitant construction ofC-CF3 and C-O bonds was described.An 1,5-H radical transfer involving an sp3 C-H bond adjacent to a nitrogen atom and an α-CF3-alkyl radical intermediate derived from unactivated alkenes was observed and demonstrated to proceed via the radical process.

  20. Possible interstellar formation of glycine through a concerted mechanism: a computational study on the reaction of CH2[double bond, length as m-dash]NH, CO2 and H2.

    Science.gov (United States)

    Nhlabatsi, Zanele P; Bhasi, Priya; Sitha, Sanyasi

    2016-07-27

    Glycine being the simplest amino acid and also having significant astrobiological implications, has meant that intensive investigations have been carried out in the past, starting from its detection in the interstellar medium (ISM) to analysis of meteorites and cometary samples and laboratory synthesis, as well as computational studies on the possible reaction paths. In this present work quantum chemical calculations have been performed to investigate the possible interstellar formation of glycine via two different paths; (1) in a two-step process via a dihydroxy carbene intermediate and (2) through a one-step concerted mechanism, starting from reactants like CH2[double bond, length as m-dash]NH, CO, CO2, H2O and H2. For the two reactions representing the carbene route, it was observed that the formation of dihydroxy carbene from either CO + H2O or CO2 + H2 is highly endothermic with large barrier heights, whereas the subsequent step of interaction of this carbene with CH2[double bond, length as m-dash]NH to give glycine is exothermic and the barrier is below the reactants. Based on this observation it is suggested that the formation of glycine via the carbene route is a least favourable or even unfavourable path. On the other hand, the two reactions CH2[double bond, length as m-dash]NH + CO + H2O and CH2[double bond, length as m-dash]NH + CO2 + H2 representing the concerted paths were found to be favourable in leading to the formation of glycine. After an extensive study on the first concerted reaction in our previous work (Phys. Chem. Chem. Phys., 2016, 18, 375-381), in this work a detailed investigation has been carried out for the second concerted reaction, CH2[double bond, length as m-dash]NH + CO2 + H2, which can possibly lead to the interstellar formation of glycine. It was observed that this reaction proceeds through a large barrier and at the same time the transition state shows prominent hydrogen dynamics, indicating a tunnelling possibility for this

  1. Potential Energy Surfaces for Reactions of X Metal Atoms (X = Cu, Zn, Cd, Ga, Al, Au, or Hg with YH4 Molecules (Y = C, Si, or Ge and Transition Probabilities at Avoided Crossings in Some Cases

    Directory of Open Access Journals (Sweden)

    Octavio Novaro

    2012-01-01

    Full Text Available We review ab initio studies based on quantum mechanics on the most important mechanisms of reaction leading to the C–H, Si–H, and Ge–H bond breaking of methane, silane, and germane, respectively, by a metal atom in the lowest states in Cs symmetry: X(2nd excited state, 1st excited state and ground state + YH4→ H3XYH → H + XYH3 and XH + YH3. with X = Au, Zn, Cd, Hg, Al, and G, and Y = C, Si, and Ge. Important issues considered here are (a the role that the occupation of the d-, s-, or p-shells of the metal atom plays in the interactions with a methane or silane or germane molecule, (b the role of either singlet or doublet excited states of metals on the reaction barriers, and (c the role of transition probabilities for different families of reacting metals with these gases, using the H–X–Y angle as a reaction coordinate. The breaking of the Y–H bond of YH4 is useful in the production of amorphous hydrogenated films, necessary in several fields of industry.

  2. Investigation on the Behaviours of TiB2 Reinforced B4C-SiC Composites Against Co-60 Gamma Radioisotope Source

    OpenAIRE

    Bülent Büyük; Tuğrul, Beril A.

    2015-01-01

    In the present study, the gamma attenuation behaviours of the Titanium diboride (TiB2) reinforced boron carbide (B4C)-silicon carbide (SiC) composite materials were investigated against Co-60 gamma radioisotope source. In the experiments TiB2 unreinforced and 2% and 4% TiB2 (by volume) reinforced B4C-SiC composite materials were used. In the composite materials B4C/SiC ratio has been realized as 6/4 by volume. The linear and mass attenuation coefficients of the samples were carried out for Co...

  3. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen, and Zhejiang and Guangdong provinces to issue bonds for the first time. How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the ShanghaiSecuritiesJournal. Edited excerpts follow:

  4. Bond Boom

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The Ministry of Finance recently kick-started a pilot program allowing local governments of Shanghai and Shenzhen,and Zhejiang and Guangdong provinces to issue bonds for the first time.How will the new policy affect fiscal capacities of local governments and the broader economy? What else should the country do to build a healthy bond market? Economists and experts discussed these issues in an interview with the Shanghai Securities Journal.Edited excerpts follow.

  5. 用碳饱和硅熔体制备的3C-SiC薄片及其光致发光%3C-SiC lamella prepared from the Si solvent saturated by carbon and its photoluminescence

    Institute of Scientific and Technical Information of China (English)

    马剑平; 卢刚; 陈治明; 杭联茂; 雷天民; 封先锋

    2001-01-01

    将硅置于高纯石墨坩埚中使其在高温条件下熔化,坩埚内壁石墨自然熔解于硅熔体中形成碳饱和的硅熔体,在石墨表面形成SiC多晶薄层并通过改变工艺条件使薄层变厚形成厚约0.5 mm的SiC多晶薄片.X射线衍射(XRD)、Raman散射等分析表明所制备样品为3C-SiC多晶体.采用He-Cd激光325 nm线在不同温度下对实现样品进行了光致发光(PL)测试分析.PL实验结果表明随着温度的变化,PL发光中心发生蓝移,其中心由2.13 eV移至2.39 eV.

  6. Simulation of a-Si(p)/c-Si(n) heterojunction solar cells with AFORS-HET%a-Si(p)/c-Si(n)异质结太阳电池的AFORS-HET模拟优化

    Institute of Scientific and Technical Information of China (English)

    卢超; 丁建宁; 程广贵; 郭立强; 林爱国

    2013-01-01

    采用限定变量的方法,运用AFORS-HET(Automat FOR Simulation of HETerostructures)软件计算模拟了不同厚度、掺杂浓度和禁带宽度的非晶硅薄膜背场以及不同厚度、禁带宽度的非晶硅本征层对a-Si(p)/c-Si(n)异质结太阳电池的影响.结果表明,在其它参数不变的情况下,增加较薄的背场和中间本征层,可以提高太阳电池的整体性能,其光电转换有很大程度提高,其最高转换效率可达20.75%;其中,中间本征层在厚度不超过20 nm时,对电池的短路电流影响不大,而其它性能则相对下降;当非晶硅薄膜背场的掺杂浓度为1019 cm-3以上,带隙为1.7 eV,厚度为5 nm时,电池性能最佳.

  7. Effect of Cooling Method on Microstructure and Mechanical Properties of Hot-Rolled C-Si-Mn TRIP Steel%Effect of Cooling Method on Microstructure and Mechanical Properties of Hot-Rolled C-Si-Mn TRIP Steel

    Institute of Scientific and Technical Information of China (English)

    LIU Ji-yuan; ZHANG Zi-cheng; ZHU Fu-xian; LI Yan-mei; Manabe Ken-ichi

    2012-01-01

    The controlled cooling technology following hot rolling process is a vital factor that affects the final micro- structure and mechanical properties of the hot-rolled transformation induced plasticity (TRIP) steels. In the present study, low alloy C-Si-Mn TRIP steel was successfully fabricated by hot rolling process with a 4450 hot roiling mill. To maximize the volume fraction and stability of retained austenite of the steel, two different cooling methods (aircooling and ultra-fast cooling "AC-UFC" and ultrmfast cooling, air cooling and ultra-fast cooling "UFC-AC-UFC") were conducted. The effects of the cooling method on the microstructure of hot-rolled TRIP steel were investigated via optical microscope, transmission electron microscope and conversion electron Mossbauer spectroscope. The mechanical properties of the steel were also evaluated by conventional tensile test. The results indicated that ferrite and bainite in the microstructure were refined with the cooling method of UFC-AC-UFC. The morphology of retained austenite was also changed from small islands distributing in bainite district (obtained with AC-UFC) to granular shape locating at the triple junction of the ferrite grain boundaries (obtained with UFC-AC-UFC). As a result, the TRIP steel with a content of retained austenite of 11. 52%, total elongation of 32% and product of tensile strength and total elongation of 27 552 MPa·% was obtained.

  8. Numerical Analysis of Cu2ZnSnS4 Thin Film Solar Cells Using a μc-3C-SiC Buffer Layer%μc-3C-SiC用作Cu2ZnSnS4薄膜太阳能电池缓冲层的数值研究

    Institute of Scientific and Technical Information of China (English)

    袁吉仁; 邓新华

    2012-01-01

    Cu2ZnSnS4(CZTS) solar cell is a novel, low-cost and environment-friendly solar cell with great potential. In this paper, μc-3C-SiC as the buffer layer of the CZTS solar cells has been investigated by numerical simulations. It is found that the blue light response of the CZTS solar cell is significantly improved and the cell efficiency can be increased for the use of μc-3C-SiC buffer. μc-3C-SiC is also non-toxic. It can passivate the CZTS interface and intrinsic-ZnO can be free by adding a thick μc-3C-SiC buffer layer. These properties make μc-3C-SiC very promising for the buffer layer of the CZTS solar cells.%Cu2ZnSnS4(CZTS)太阳能电池是一种低成本环保型的具有巨大发展潜力的新型薄膜太阳能电池.主要对用μc-3C-SiC材料作为CZTS太阳能电池的缓冲层进行了数值研究,发现μc-3C-SiC材料能够显著改善CZTS电池的蓝光光谱响应,提高电池的转换效率.另外,μc-3C-SiC材料没有毒性,具有钝化CZTS表面缺陷以及使用较厚的μc-3 C-SiC缓冲层可以不需本征ZnO层等优点,使得μc-3C-SiC成为一种很有应用前景的CZTS薄膜太阳能电池的缓冲层材料.

  9. Cooperative effects between tetrel bond and other σ-hole bond interactions: a comparative investigation

    Science.gov (United States)

    Esrafili, Mehdi D.; Nurazar, Roghaye; Mohammadian-Sabet, Fariba

    2015-12-01

    Covalently bonded atoms of Groups IV-VII tend to have anisotropic charge distributions, the electronic densities being less on the extensions of the bonds (σ-holes) than in the intervening regions. These σ-holes often give rise to positive electrostatic potentials through which the atom can interact attractively and highly directionally with negative sites. In this work, cooperative effects between tetrel bond and halogen/chalcogen/pnicogen bond interactions are studied in multi-component YH3M...NCX...NH3 complexes, where Y = F, CN; M = C, Si and X = Cl, SH and PH2. These effects are analysed in detail in terms of the structural, energetic, charge-transfer and electron density properties of the complexes. The nature of the σ-hole bonds is unveiled by quantum theory of atoms in molecules and natural bond orbital theory. A favourable cooperativity is found with values that range between -0.34 and -1.15 kcal/mol. Many-body decomposition of interaction energies indicate that two-body energy term is the most important source of the attraction, which its contribution accounts for 87%-96% of the total interaction energy.

  10. In-situ determination of the effective absorbance of thin μc-Si:H layers growing on rough ZnO:Al

    Directory of Open Access Journals (Sweden)

    Meier Matthias

    2013-10-01

    Full Text Available In this study optical transmission measurements were performed in-situ during the growth of microcrystalline silicon (μc-Si:H layers by plasma enhanced chemical vapor deposition (PECVD. The stable plasma emission was used as light source. The effective absorption coefficient of the thin μc-Si:H layers which were deposited on rough transparent conductive oxide (TCO surfaces was calculated from the transient transmission signal. It was observed that by increasing the surface roughness of the TCO, the effective absorption coefficient increases which can be correlated to the increased light scattering effect and thus the enhanced light paths inside the silicon. A correlation between the in-situ determined effective absorbance of the μc-Si:H absorber layer and the short-circuit current density of μc-Si:H thin-film silicon solar cells was found. Hence, an attractive technique is demonstrated to study, on the one hand, the absorbance and the light trapping in thin films depending on the roughness of the substrate and, on the other hand, to estimate the short-circuit current density of thin-film solar cells in-situ, which makes the method interesting as a process control tool.

  11. Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X=C, Si, Ge, and Sn)

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Jensen, Hans Jørgen Aagaard; Oddershede, Jens

    1997-01-01

    Using the quadratic response function at the ab initio SCF level of approximation we have calculated the relativistic corrections from the spin-orbit Hamiltonian, HSO, to the indirect nuclear spin-spin coupling constants of XH4 (X = C, Si, Ge, and Sn). We find that the spin-orbit contributions to...

  12. Boron-doped hydrogenated microcrystalline silicon oxide (μc-SiOx:H) for application in thin-film silicon solar cells

    NARCIS (Netherlands)

    Lambertz, A.; Finger, F.; Holländer, B.; Rath, J.K.; Schropp, R.E.I.

    2011-01-01

    We report on the development of p-type μc-SiOx:H material, in particular the relationship between the deposition parameters and the material properties like band gap, electrical conductivity, and crystalline volume fraction. The material was deposited from gas mixtures of silane, carbon dioxide and

  13. Time-dependent bridging and life prediction of SiC/SiC in a hypothetical fusion environment

    Energy Technology Data Exchange (ETDEWEB)

    Henager, C.H. Jr.; Lewinsohn, C.A.; Windisch, C.F. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-10-01

    Growth of subcritical cracks in SiC/SiC composites of CG-Nicalon fibers with a {approximately}1 {mu}m C-interphase has been measured on a related Basic Energy Sciences program using environments of purified argon and mixtures of argon and oxygen at 1073K to 1373K. Companion thermo-gravimetric (TGA) testing measured mass loss in identical environments. The TGA mass loss was from C-interphase oxidation to CO and CO{sub 2}, which was undetectable in argon and linear with oxygen concentration in argon-oxygen mixtures, and was converted into an interphase linear recession rate. Crack growth in pure argon indicated that fiber creep was causing time-dependent crack bridging to occur, while crack growth in argon-oxygen mixtures indicated that time-dependent C-interphase recession was also causing time-dependent bridging with different kinetics. A model of time-dependent bridging was used to compute crack growth rates in argon and in argon-oxygen mixtures and gave an estimate of useable life of about 230 days at 1073K in a He + 1.01 Pa O{sub 2} (10 ppm) environment.

  14. Theoretical comparison of 3C-SiC and Si nanowire FETs in ballistic and diffusive regimes

    International Nuclear Information System (INIS)

    Silicon carbide (SiC) nanowires (NWs) could combine the properties of one-dimensional (1D) structures with those of a wide band gap semiconductor. For this reason, we solved self-consistently the Poisson equation with both the quantum Non-Equilibrium Green Function Formalism (NEGF) and the classical drift-diffusion model in order to model and compare 3C-SiC and Si NW Field Effect Transistors (FETs) operating in ballistic and diffusive regimes. As a general conclusion from our calculations in the ballistic regime, Si and SiC NW FETs have almost the same electrical behavior. They show the same subthreshold slope and have similar on-current (ION/IOFF (SiC) ∼81% ION/IOFF (Si) in the case of a 4 nm NW cross-section side). The drift-diffusion model predicts a better performance for SiC NW FETs. More specifically, SiC devices have a lower subthreshold slope (∼85% for a Si device with 200 nm channel length) than Si devices as the FET channel length increases (from 200 to 750 nm), and as in case of ballistic regime SiC devices have a slightly smaller on-current

  15. Modeling of Nonlinear Mechanical Behavior for 3D Needled C/C-SiC Composites Under Tensile Load

    Science.gov (United States)

    Xie, Junbo; Fang, Guodong; Chen, Zhen; Liang, Jun

    2016-08-01

    This paper established a macroscopic constitutive model to describe the nonlinear stress-strain behavior of 3D needled C/C-SiC composites under tensile load. Extensive on- and off-axis tensile tests were performed to investigate the macroscopic mechanical behavior and damage characteristics of the composites. The nonlinear mechanical behavior of the material was mainly induced by matrix tensile cracking and fiber/matrix debonding. Permanent deformations and secant modulus degradation were observed in cyclic loading-unloading tests. The nonlinear stress-strain relationship of the material could be described macroscopically by plasticity deformation and stiffness degradation. In the proposed model, we employed a plasticity theory with associated plastic flow rule to describe the evolution of plastic strains. A novel damage variable was also introduced to characterize the stiffness degradation of the material. The damage evolution law was derived from the statistical distribution of material strength. Parameters of the proposed model can be determined from off-axis tensile tests. Stress-strain curves predicted by this model showed reasonable agreement with experimental results.

  16. Structure of Si-capped Ge/SiC/Si (001) epitaxial nanodots: Implications for quantum dot patterning

    Energy Technology Data Exchange (ETDEWEB)

    Petz, C. W.; Floro, J. A. [Department of Materials Science and Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Yang, D.; Levy, J. [Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States)

    2012-04-02

    Artificially ordered quantum dot (QD) arrays, where confined carriers can interact via direct exchange coupling, may create unique functionalities such as cluster qubits and spintronic bandgap systems. Development of such arrays for quantum computing requires fine control over QD size and spatial arrangement on the sub-35 nm length scale. We employ electron-beam irradiation to locally decompose ambient hydrocarbons onto a bare Si (001) surface. These carbonaceous patterns are annealed in ultra-high vacuum (UHV), forming ordered arrays of nanoscale SiC precipitates that have been suggested to template subsequent epitaxial Ge growth to form ordered QD arrays. We show that 3C-SiC nanodots form, in cube-on-cube epitaxial registry with the Si substrate. The SiC nanodots are fully relaxed by misfit dislocations and exhibit small lattice rotations with respect to the substrate. Ge overgrowth at elevated deposition temperatures, followed by Si capping, results in expulsion of the Ge from SiC template sites due to the large chemical and lattice mismatch between Ge and C. Maintaining an epitaxial, low-defectivity Si matrix around the quantum dots is important for creating reproducible electronic and spintronic coupling of states localized at the QDs.

  17. Development of ASTM Standard for SiC-SiC Joint Testing Final Scientific/Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, George [General Atomics, San Diego, CA (United States); Back, Christina [General Atomics, San Diego, CA (United States)

    2015-10-30

    As the nuclear industry moves to advanced ceramic based materials for cladding and core structural materials for a variety of advanced reactors, new standards and test methods are required for material development and licensing purposes. For example, General Atomics (GA) is actively developing silicon carbide (SiC) based composite cladding (SiC-SiC) for its Energy Multiplier Module (EM2), a high efficiency gas cooled fast reactor. Through DOE funding via the advanced reactor concept program, GA developed a new test method for the nominal joint strength of an endplug sealed to advanced ceramic tubes, Fig. 1-1, at ambient and elevated temperatures called the endplug pushout (EPPO) test. This test utilizes widely available universal mechanical testers coupled with clam shell heaters, and specimen size is relatively small, making it a viable post irradiation test method. The culmination of this effort was a draft of an ASTM test standard that will be submitted for approval to the ASTM C28 ceramic committee. Once the standard has been vetted by the ceramics test community, an industry wide standard methodology to test joined tubular ceramic components will be available for the entire nuclear materials community.

  18. Modeling of Damage Initiation and Progression in a SiC/SiC Woven Ceramic Matrix Composite

    Science.gov (United States)

    Mital, Subodh K.; Goldberg, Robert K.; Bonacuse, Peter J.

    2012-01-01

    The goal of an ongoing project at NASA Glenn is to investigate the effects of the complex microstructure of a woven ceramic matrix composite and its variability on the effective properties and the durability of the material. Detailed analysis of these complex microstructures may provide clues for the material scientists who `design the material? or to structural analysts and designers who `design with the material? regarding damage initiation and damage propagation. A model material system, specifically a five-harness satin weave architecture CVI SiC/SiC composite composed of Sylramic-iBN fibers and a SiC matrix, has been analyzed. Specimens of the material were serially sectioned and polished to capture the detailed images of fiber tows, matrix and porosity. Open source analysis tools were used to isolate various constituents and finite elements models were then generated from simplified models of those images. Detailed finite element analyses were performed that examine how the variability in the local microstructure affected the macroscopic behavior as well as the local damage initiation and progression. Results indicate that the locations where damage initiated and propagated is linked to specific microstructural features.

  19. The mechanism of defect creation and passivation at the SiC/SiO{sub 2} interface

    Energy Technology Data Exchange (ETDEWEB)

    Deak, Peter [Bremen Center for Computational Materials Science, University of Bremen, Pf. 33 04 40, Bremen 28334 (Germany); Knaup, Jan M [Bremen Center for Computational Materials Science, University of Bremen, Pf. 33 04 40, Bremen 28334 (Germany); Hornos, Tamas [Department of Atomic Physics, Budapest University of Technology and Economics, Budapest H-1521 (Hungary); Thill, Christoph [Bremen Center for Computational Materials Science, University of Bremen, Pf. 33 04 40, Bremen 28334 (Germany); Gali, Adam [Department of Atomic Physics, Budapest University of Technology and Economics, Budapest H-1521 (Hungary); Frauenheim, Thomas [Bremen Center for Computational Materials Science, University of Bremen, Pf. 33 04 40, Bremen 28334 (Germany)

    2007-10-21

    From the viewpoint of application in power electronics, SiC possesses the greatest advantage of having SiO{sub 2} as its native oxide. Unfortunately, the usual thermal oxidation produces an unacceptably high density of interface states, with a complex energy distribution. Deep states are assumed to be caused by carbon excess at the interface, while the slow electron traps, called NIT, with especially high density near the conduction band of 4H-SiC (which would be the best polytype for power devices), are expected to originate from oxide defects near the interface. Unlike the case of the Si/SiO{sub 2} interface, simple hydrogen passivation does not help to reduce the high trap density. A possible passivation method for both deep states and NIT is post-oxidation annealing or oxidation in the presence of NO or N{sub 2}O molecules. Here we present systematic and sophisticated theoretical calculations on a model of the 4H-SiC/SiO{sub 2} interface, in order to establish the main reaction routes and the most important defects that are created during dry oxidation, and may give rise to the observed interface traps. We also investigate the effect of nitrogen in suppressing them. (review article)

  20. Surface passivation and optical characterization of Al2O3/a-SiCx stacks on c-Si substrates

    Directory of Open Access Journals (Sweden)

    Gema López

    2013-11-01

    Full Text Available The aim of this work is to study the surface passivation of aluminum oxide/amorphous silicon carbide (Al2O3/a-SiCx stacks on both p-type and n-type crystalline silicon (c-Si substrates as well as the optical characterization of these stacks. Al2O3 films of different thicknesses were deposited by thermal atomic layer deposition (ALD at 200 °C and were complemented with a layer of a-SiCx deposited by plasma-enhanced chemical vapor deposition (PECVD to form anti-reflection coating (ARC stacks with a total thickness of 75 nm. A comparative study has been carried out on polished and randomly textured wafers. We have experimentally determined the optimum thickness of the stack for photovoltaic applications by minimizing the reflection losses over a wide wavelength range (300–1200 nm without compromising the outstanding passivation properties of the Al2O3 films. The upper limit of the surface recombination velocity (Seff,max was evaluated at a carrier injection level corresponding to 1-sun illumination, which led to values below 10 cm/s. Reflectance values below 2% were measured on textured samples over the wavelength range of 450–1000 nm.

  1. Micromechanical experimental analysis and modelling of elastic and damageable behaviour of unidirectional SiC/SiC composites

    International Nuclear Information System (INIS)

    Because of their potential use as a cladding material in future nuclear reactors, the complex mechanical behavior of SiC/SiC composites, which combines damage and anisotropy, must be understood and predictable. As part of a multi-scale approach, this work focuses on the first scale change: from the elementary constituents to the tow. Micromechanical approaches are implemented to describe the macroscopic behavior of the tow taking into account its microstructure heterogeneity and damage mechanisms occurring at the local scale. A representative virtual microstructure is generated based on a detailed microstructural investigation of the tow and its elastic response is studied by numerical homogenization. In addition to addressing the mechanical RVE issue, this study highlights the significant effects of residual porosity on the transverse behavior of the tow, due to the matrix infiltration process. The longitudinal damage is being studied through mini-composites, for which the evolution of microscopic damage mechanisms (matrix cracks and fiber breaks) is experimentally analyzed (in-situ SEM and tomography tensile tests). The identification of interfacial parameters of a 1D statistical damage model is based on the experimental characterization. Conventional assumptions of such models can adequately describe matrix cracking at macro and micro scale. However it is necessary to change them to get a proper prediction of ultimate failure. (author)

  2. An Iterated GMM Procedure for Estimating the Campbell-Cochrane Habit Formation Model, with an Application to Danish Stock and Bond Returns

    DEFF Research Database (Denmark)

    Engsted, Tom; Møller, Stig Vinther

    2010-01-01

    We suggest an iterated GMM approach to estimate and test the consumption based habit persistence model of Campbell and Cochrane, and we apply the approach on annual and quarterly Danish stock and bond returns. For comparative purposes we also estimate and test the standard constant relative risk...

  3. Crystal Structure, Thermal Decomposition Behavior and the Standard Molar Enthalpy of Formation of a Novel 3D Hydrogen Bonded Supramolecular [Co(HnicO)2·(H2O)2

    Institute of Scientific and Technical Information of China (English)

    ZENG,Ming-Hua; WU,Mei-Chun; ZHU,Li-Hong; LIANG,Hong; YANG Xu-Wu

    2007-01-01

    Hydrothermal synthesis and X-ray characterized 3D supramolecular networks were constructed by [Co(HnicO)2·(H2O)2] (HnicOH=2-hydroxynicotinic acid) (1) as building block via abundant dimeric homomeric (N-H…O) and unusually cyclic tetrameric heteromeric (O-H…O) hydrogen-bonds. It is noted that there exist unusually linear metal-water chains comprised of tetrameric units linked by vertexes sharing cobalt centers through hydrogen-bonding. TG-DTG curves illustrated that thermal decomposition was completed by two steps, one is the loss of two terminal water molecules in the range of 156-234 ℃, and the other is the pyrolysis of HnicO ligand in the range of 234-730 ℃. The standard molar enthalpy of formation of the complex was determined to be (-1845.43±2.77) kJ·mol-1 by a rotary-bomb combustion calorimeter.

  4. Sensor/ROIC Integration using Oxide Bonding

    OpenAIRE

    Ye, Zhenyu; Group, for the Fermilab Pixel R&D

    2009-01-01

    We explore the Ziptronix Direct Bond Interconnect technology for the integration of sensors and readout integrated circuits (ROICs) for high energy physics. The technology utilizes an oxide bond to form a robust mechanical connection between layers which serves to assist with the formation of metallic interlayer connections. We report on testing results of sample sensors bonded to ROICs and thinned to 100 microns.

  5. Investigation on the Behaviours of TiB2 Reinforced B4C-SiC Composites Against Co-60 Gamma Radioisotope Source

    Directory of Open Access Journals (Sweden)

    Bülent Büyük

    2015-02-01

    Full Text Available In the present study, the gamma attenuation behaviours of the Titanium diboride (TiB2 reinforced boron carbide (B4C-silicon carbide (SiC composite materials were investigated against Co-60 gamma radioisotope source. In the experiments TiB2 unreinforced and 2% and 4% TiB2 (by volume reinforced B4C-SiC composite materials were used. In the composite materials B4C/SiC ratio has been realized as 6/4 by volume. The linear and mass attenuation coefficients of the samples were carried out for Co60 gamma radioisotope source which has two energy peaks (1.17 and 1.33 MeV. Then mass attenuation coefficients and half-value thicknesses (HVT of the materials were calculated. Experimental mass attenuation coefficients were compared with the theoretical values which were calculated from XCOM computer code. Furthermore HVTs of the samples were evaluated and compared each other. It has been seen that the experimental and theoretical mass attenuation coefficients are closed to each other and differences are under 10 percent. In addition, TiB2 reinforced B4C-SiC composites have smaller HVTs than unreinforced one. Moreover 4% TiB2 reinforced B4C-SiC composite has smaller HVT than the 2% reinforced sample. Reinforcing TiB2 and increasing TiB2 ratio increase the gamma attenuation property of the B4C-SiC composites against Co-60 gamma radioisotope source.

  6. Thread bonds in molecules

    CERN Document Server

    Ivlev, B

    2015-01-01

    Unusual chemical bonds are proposed. Each bond is almost covalent but is characterized by the thread of a small radius $\\sim 0.6\\times 10^{-11}$cm, between two nuclei in a molecule. The main electron density is concentrated outside the thread as in a covalent bond. The thread is formed by the electron wave function which has a tendency to be singular on it. The singularity along the thread is cut off by electron "vibrations" due to the interaction with zero point electromagnetic oscillations. The electron energy has its typical value of (1-10)eV. Due to the small tread radius the uncertainty of the electron momentum inside the thread is large resulting in a large electron kinetic energy $\\sim 1 MeV$. This energy is compensated by formation of a potential well due to the reduction of the energy of electromagnetic zero point oscillations. This is similar to formation of a negative van der Waals potential. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.

  7. Kinetics of corrosion of Si3N4 and SiC-Si3N4 composite in oxygen/chlorine environments

    International Nuclear Information System (INIS)

    The kinetics of corrosion of silicon nitride and nitride bonded silicon carbide materials in flowing gas mixtures consisting of argon, oxygen and chlorine was investigated by thermogravimetric analysis. The corrosion process was characterized by two categories; one is volatilization type of attack in which the corrosion proceeds primarily by a formation of volatile corrosion product in low ratio of oxygen to chlorine environments between 900 C and 1100 C. Another is bubble formation type of corrosion in which the reaction proceeds with a small increase in weight due to the formation of bubble in oxide layer in high ratio of oxygen to chlorine environments at 1200 C and 1300 C. Examination of the corroded specimens by scanning electron microscopy, X-ray analysis and transmission electron microscopy indicated that the SiC was selectively attacked in the nitride bonded materials and that in general, the silicon nitride was more resistant to attack than the silicon carbide under mixed oxidation condition. This may be related to the nature of the silicon dioxide films on the two materials because the stability of silicon dioxide becomes a key to whether or not further attack may occur

  8. 界面涂层与基体对先进CVI-SiC/SiC复合材料性能的影响%Effects of Interlayer and Matrix on Properties of the Advanced CVI-SiC/SiC Composites

    Institute of Scientific and Technical Information of China (English)

    杨文; 荒木弘; 杨启法; 野田哲二

    2007-01-01

    对含有几种典型界面结构和SiC纳米线的CVI-SiC/SiC复合材料的弯曲性能和断裂韧性进行了比较研究.研究表明:界面涂层对SiC/SiC的力学性能至关重要,120nm厚的碳界面涂层使材料的强度与韧性都增加一倍;在用140nm厚的SiC层将该碳层分为更薄的两层,形成C/SiC/C多层界面涂层时,材料的强度没有明显的变化,而断裂韧性则略有提高.对基体中弥散分布有SiC纳米线的SiC/SiC的力学性能研究表明,SiC纳米线具有非常高的强化效率,使SiC/SiC复合材料具有更高的强度和韧性.

  9. Study in electron microscopy the formation of the hybrid layer using adhesive systems One Coat and Single Bond Universal, at the Facultad de Medicina of the Universidad de Costa Rica

    International Nuclear Information System (INIS)

    The formation of the hybrid layer is observed in dental pieces in vitro, using systems of conventional adhesives (Single Bond 2 of 3M and One Coat of Coltene), with different times of acid etching, through the use of atomic force microscopy (AFM). The images of the hybrid layer obtained from samples prepared with adhesive systems are analyzed by AFM. Samples collected have been of dental pieces (molars and premolars) recently extracted and later placed in water. The pieces used have provided more surface to be observed under the microscope, greater accessibility to the be cut for its study, and to the great pieces have facilitated their placement on the Isomet low speed saw. The differences are evaluated between hybrid layers according the adhesive system used and the mode of application of the images obtained in the atomic force microscope. The adhesive system that has allowed the formation of a hybrid layer more appropriate between the adhesive system One Coat and the adhesive system Single Bond Universal is determined. The time of acid etching as variable of procedure is determined and has interfered with the formation of a hybrid layer more stable. The images evaluated that were provided by the atomic force microscope and compared with the images of electron microscopy of other studies, have determined that the AFM is without providing detailed information, as well as the appropriate images to evaluate the hybrid layer of the adhesive systems Single Bond 2 and One Coat of Coltene, or the different times of acid etching. Therefore, for this type of study, the image of choice must be of an electron microscope

  10. Thermally activated solvent bonding of polymers

    OpenAIRE

    Ng, S H; Tjeung, R. T.; Z. F. Wang; Lu, A. C. W.; Rodriguez, I.; de Rooij, Nicolaas F.

    2010-01-01

    We present a thermally activated solvent bonding technique for the formation of embedded microstructures in polymer. It is based on the temperature dependent solubility of polymer in a liquid that is not a solvent at room temperature. With thermal activation, the liquid is transformed into a solvent of the polymer, creating a bonding capability through segmental or chain interdiffusion at the bonding interface. The technique has advantages over the more commonly used thermal bonding due to it...

  11. Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions

    Science.gov (United States)

    Cheng, Chih-Hsien; Tzou, An-Jye; Chang, Jung-Hung; Chi, Yu-Chieh; Lin, Yung-Hsiang; Shih, Min-Hsiung; Lee, Chao-Kuei; Wu, Chih-I.; Kuo, Hao-Chung; Chang, Chun-Yen; Lin, Gong-Ru

    2016-01-01

    The epitaxy of high-power gallium nitride (GaN) light-emitting diode (LED) on amorphous silicon carbide (a-SixC1-x) buffer is demonstrated. The a-SixC1-x buffers with different nonstoichiometric C/Si composition ratios are synthesized on SiO2/Si substrate by using a low-temperature plasma enhanced chemical vapor deposition. The GaN LEDs on different SixC1-x buffers exhibit different EL and C-V characteristics because of the extended strain induced interfacial defects. The EL power decays when increasing the Si content of SixC1-x buffer. The C-rich SixC1-x favors the GaN epitaxy and enables the strain relaxation to suppress the probability of Auger recombination. When the SixC1-x buffer changes from Si-rich to C-rich condition, the EL peak wavelengh shifts from 446 nm to 450 nm. Moreover, the uniform distribution contour of EL intensity spreads between the anode and the cathode because the traping density of the interfacial defect gradually reduces. In comparison with the GaN LED grown on Si-rich SixC1-x buffer, the device deposited on C-rich SixC1-x buffer shows a lower turn-on voltage, a higher output power, an external quantum efficiency, and an efficiency droop of 2.48 V, 106 mW, 42.3%, and 7%, respectively.

  12. Study of multi-carbide B4C-SiC/(Al, Si) reaction infiltrated composites by SEM with EBSD

    International Nuclear Information System (INIS)

    In the definition of conceptual developments and design of new materials with singular or unique properties, characterisation takes a key role in clarifying the relationships of composition, properties and processing that define the new material. B4C has a rare combination of properties that makes it suitable for a wide range of applications in engineering: high refractoriness, thermal stability, high hardness and abrasion resistance coupled to low density. However, the low self-diffusion coefficient of B4C limits full densification by sintering. A way to overturn this constraint is by using an alloy, for example Al-Si, forming composites with B4C. Multi-carbide B4C-SiC/(Al, Si) composites were produced by the reactive melt infiltration technique at 1200 – 1350 °C with up to 1 hour of isothermal temperature holds. Pressed preforms made from C-containing B4C were spontaneously infiltrated with Al-Si alloys of composition varying from 25 to 50 wt% Si. The present study involves the characterisation of the microstructure and crystalline phases in the alloys and in the composites by X-ray diffraction and SEM/EDS with EBSD. Electron backscatter diffraction is used in detail to look for segregation and spatial distribution of Si and Al containing phases during solidification of the metallic infiltrate inside the channels of the ceramic matrix when the composite cools down to the eutectic temperature (577 °C). It complements elemental maps of the SEM/EDS. The production of a flat surface by polishing is intrinsically difficult and the problems inherent to the preparation of EBSD qualified finishing in polished samples of such type of composites are further discussed

  13. Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions.

    Science.gov (United States)

    Cheng, Chih-Hsien; Tzou, An-Jye; Chang, Jung-Hung; Chi, Yu-Chieh; Lin, Yung-Hsiang; Shih, Min-Hsiung; Lee, Chao-Kuei; Wu, Chih-I; Kuo, Hao-Chung; Chang, Chun-Yen; Lin, Gong-Ru

    2016-01-01

    The epitaxy of high-power gallium nitride (GaN) light-emitting diode (LED) on amorphous silicon carbide (a-SixC(1-x)) buffer is demonstrated. The a-SixC(1-x) buffers with different nonstoichiometric C/Si composition ratios are synthesized on SiO2/Si substrate by using a low-temperature plasma enhanced chemical vapor deposition. The GaN LEDs on different SixC(1-x) buffers exhibit different EL and C-V characteristics because of the extended strain induced interfacial defects. The EL power decays when increasing the Si content of SixC(1-x) buffer. The C-rich SixC(1-x) favors the GaN epitaxy and enables the strain relaxation to suppress the probability of Auger recombination. When the SixC(1-x) buffer changes from Si-rich to C-rich condition, the EL peak wavelengh shifts from 446 nm to 450 nm. Moreover, the uniform distribution contour of EL intensity spreads between the anode and the cathode because the traping density of the interfacial defect gradually reduces. In comparison with the GaN LED grown on Si-rich SixC(1-x) buffer, the device deposited on C-rich SixC(1-x) buffer shows a lower turn-on voltage, a higher output power, an external quantum efficiency, and an efficiency droop of 2.48 V, 106 mW, 42.3%, and 7%, respectively.

  14. Improvement of μc-Si:H n–i–p cell efficiency with an i-layer made by hot-wire CVD by reverse H2-profiling

    NARCIS (Netherlands)

    Li, H. B. T.; Franken, R.H.; Stolk, R.L.; van der Werf, C.H.M.; Rath, J.K.; Schropp, R.E.I.

    2008-01-01

    The technique of maintaining a proper crystalline ratio in microcrystalline silicon (μc-Si:H) layers along the thickness direction by decreasing the H2 dilution ratio during deposition (H2 profiling) was introduced by several laboratories while optimizing either n–i–p or p–i–n μc-Si:H cells made by

  15. Diffusion bonding

    Science.gov (United States)

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  16. The kinetics of formation of single-stranded breaks and alkali-labile bonds in irradiated superhelical dna of PM 2 page

    International Nuclear Information System (INIS)

    The methods of neutral and alkaline agarose gel electrophoresis were used to study the dose-dependence of the concentration of different DNA species formed under the effect of X-irradiation of solutions of superhelical DNA of PM2 phage. The experimental results are described by a model in which a considerable role is attributed to conjugated lesions in both DNA strands (single-stranded breaks and alkali--labile-bonds). A study was made of the influence of metronidazole and TAN on radiation-induced changes in DNA

  17. Formation of a Six-Coordinate fac-[Re(Co)3]+ Complex by the N-C bond cleavage of a potentially tetradentate ligand

    International Nuclear Information System (INIS)

    The rhenium(I) compound fac-[Re(CO)3(daa)]. Hpab.H2O (Hpab N,N'-(l,2-phenylene)bis(2'-aminobenzamide); Hdaa 2-amino-N-(2-aminophenyl)benzamide) was synthesized from the reaction of [Re(CO)5,Br] with two equivalent of Hpab in toluene. The monoanionic tridentate ligand daa was formed by the rhenium-mediated cleavage of an amido N-C bond of the potentially tetradentate ligand Hpab. The compound was characterized by IR spectroscopy and X-ray crystallography, and daa is coordinated as a diamino amide via three nitrogen-donor atoms

  18. Industrialization of Advanced SiC/SiC Composites and SiC Based Composites; Intensive activities at Muroran Institute of Technology under OASIS

    International Nuclear Information System (INIS)

    Organization of Advanced Sustainability Initiative for Energy System/Material (OASIS), at Muroran Institute of Technology is now intensively enforcing its efforts for industrialization of advanced SiC/SiC composites and SiC based composites by fabrication system integration of NITE method. This paper provides the brief review of the activities at OASIS, where prototype production line of green sheets and prepreg sheets are under installation. The near-net shaped preforms with the NITE green-sheets and prepreg-sheets are made into near-net shape components for potential applications under consideration by HIP and Pseudo-HIP. Aiming at the near term utilization, SiC/SiC hybrid structures with metallic materials, such as steels and other refractory metals, were fabricated with promising results. Trial to reduce the production cost has been continued.

  19. Bio-inspired dewetted surfaces based on SiC/Si interlocked structures for enhanced-underwater stability and regenerative-drag reduction capability

    Science.gov (United States)

    Lee, By Junghan; Zhang, Zhuo; Baek, Seunghyun; Kim, Sangkuk; Kim, Donghyung; Yong, Kijung

    2016-04-01

    Drag reduction has become a serious issue in recent years in terms of energy conservation and environmental protection. Among diverse approaches for drag reduction, superhydrophobic surfaces have been mainly researched due to their high drag reducing efficiency. However, due to limited lifetime of plastron (i.e., air pockets) on superhydrophobic surfaces in underwater, the instability of dewetted surfaces has been a sticking point for practical applications. This work presents a breakthrough in improving the underwater stability of superhydrophobic surfaces by optimizing nanoscale surface structures using SiC/Si interlocked structures. These structures have an unequaled stability of underwater superhydrophobicity and enhance drag reduction capabilities,with a lifetime of plastron over 18 days and maximum velocity reduction ratio of 56%. Furthermore, through photoelectrochemical water splitting on a hierarchical SiC/Si nanostructure surface, the limited lifetime problem of air pockets was overcome by refilling the escaping gas layer, which also provides continuous drag reduction effects.

  20. Fabrication of SiC Composites with Synergistic Toughening of Carbon Whisker and In Situ 3C-SiC Nanowire

    Directory of Open Access Journals (Sweden)

    Zhang Yunlong

    2016-01-01

    Full Text Available The SiC composites with synergistic toughening of carbon whisker and in situ 3C-SiC nanowire have been fabricated by hot press sinter technology and annealed treatment technology. Effect of annealed time on the morphology of SiC nanowires and mechanical properties of the Cw/SiC composites was surveyed in detail. The appropriate annealed time improved mechanical properties of the Cw/SiC composites. The synergistic effect of carbon whisker and SiC nanowire can improve the fracture toughness for Cw/SiC composites. The vapor-liquid-solid growth (VLS mechanism was proposed. TEM photo showed that 3C-SiC nanowire can be obtained with preferential growth plane ({111}, which corresponded to interplanar spacing about 0.25 nm.

  1. Study on limiting efficiencies of a-Si:H/μc-Si:H-based single-nanowire solar cells under single and tandem junction configurations

    Science.gov (United States)

    Zhai, Xiongfei; Cao, Guoyang; Wu, Shaolong; Shang, Aixue; Li, Xiaofeng

    2015-11-01

    Detailed balance calculations are presented for a-Si:H/μc-Si:H-based single- and tandem-junction single-nanowire solar cells (S- and T-SNSCs). Our study is based on three-dimensional finite-element electromagnetic simulation and thermodynamic balanced analysis, which includes radiative and Auger recombinations simultaneously. We quantify and compare the limiting short-circuit current densities, open-circuit voltages, and light-conversion efficiencies of these highly compact photovoltaic cells, addressing especially the effect of Auger recombination on the open-circuit voltages of SNSCs. Results show that tandem design leads to much higher light-conversion capability than μc-Si:H S-SNSCs, but exhibits superior performance than a-Si:H S-SNSCs only for cells with large radii.

  2. Study on limiting efficiencies of a-Si:H/μc-Si:H-based single-nanowire solar cells under single and tandem junction configurations

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Xiongfei; Cao, Guoyang; Wu, Shaolong, E-mail: shaolong-wu@suda.edu.cn, E-mail: xfli@suda.edu.cn; Shang, Aixue; Li, Xiaofeng, E-mail: shaolong-wu@suda.edu.cn, E-mail: xfli@suda.edu.cn [College of Physics, Optoelectronics and Energy & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China); Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province and Key Lab of Modern Optical Technologies of Education Ministry of China, Soochow University, Suzhou 215006 (China)

    2015-11-02

    Detailed balance calculations are presented for a-Si:H/μc-Si:H-based single- and tandem-junction single-nanowire solar cells (S- and T-SNSCs). Our study is based on three-dimensional finite-element electromagnetic simulation and thermodynamic balanced analysis, which includes radiative and Auger recombinations simultaneously. We quantify and compare the limiting short-circuit current densities, open-circuit voltages, and light-conversion efficiencies of these highly compact photovoltaic cells, addressing especially the effect of Auger recombination on the open-circuit voltages of SNSCs. Results show that tandem design leads to much higher light-conversion capability than μc-Si:H S-SNSCs, but exhibits superior performance than a-Si:H S-SNSCs only for cells with large radii.

  3. A Novel and Simple Method for the Synthesis of β-SiC/SiO2 Coaxial Nanocables in a Large Area: Polycarbosilane Pyrolysis.

    Science.gov (United States)

    Song, Guanying; Li, Zhenjiang; Sun, Shasha; Meng, Alan; Ma, FengLin

    2016-03-01

    In the present work, β-SiC/SiO2 coaxial nanocables are synthesized in a large area via direct pyrolysis of polymeric precursor method, in which, polycarbosilane acts the single raw material. The morphology, chemical composition and detailed microstructure of the nanocables are characterized. The core of nanocables are single crystalline β-SiC nanowires with diameter of 30 - 60 nm grown along [111] direction. The uniform coating layer is amorphous SiO2 with thickness of 15 nm. Based on the pyrolysis process of polycarbosilane, the Vapor-Liquid-Solid growth mechanism is discussed. Furthermore, field emission measurements show the turn-on field and the threshold field are 3.2 V/μm and 6.5 V/μm, respectively. This study shows that β-SiC/SiO2 coaxial nanocables are promising for field emission display device and other vacuum electronic devices. PMID:27455721

  4. Temperature dependence of pin solar cell parameters with intrinsic layers made of pm-Si:H and low crystalline volume fraction {mu}c-Si:H

    Energy Technology Data Exchange (ETDEWEB)

    Hamadeh, H. [AECS, Physics Department, P.O. Box 6091, Damascus (Syria)

    2010-07-15

    A comparison of the temperature dependence of the IV characteristics parameters of hydrogenated silicon pin solar cells with intrinsic layers made of polymorphous silicon (pm-Si:H) and of {mu}c-Si:H with low crystalline volume fraction has been performed. When using pm-Si:H, higher efficiency and higher filling factors are achieved over a wide temperature range. Diode quality factors of both types of cells show similar temperature dependence. Recombination processes over the whole intrinsic layer dominates the forward current. A change of the cell parameters under illumination is also observed. The transport mechanism of both cells is similar in the temperature range that is important for most applications. Due to its optical and transport properties, pm-Si:H poses a very interesting alternative to {mu}c-Si:H and a-Si:H in the temperature range of normal terrestrial applications. (author)

  5. Synthesis, characterization, and wear and friction properties of variably structured SiC/Si elements made from wood by molten Si impregnation

    DEFF Research Database (Denmark)

    Dhiman, Rajnish; Rana, Kuldeep; Bengu, Erman;

    2012-01-01

    We have synthesized pre-shaped SiC/Si ceramic material elements from charcoal (obtained from wood) by impregnation with molten silicon, which takes place in a two-stage process. In the first process, a porous structure of connected micro-crystals of β-SiC is formed, while, in the second process, ...... for the present samples are very promising for abrasive applications and for new generation brake systems....

  6. Covalent Bond Formation of Uranium Ions in a LiCl-KCl Eutectic Melt at 450 .deg. C: Spectroscopic Evidence from Their UV-VIS Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Young Hwan; Bae, Sang Eun; Oh, Seung Yong; Kim, Jong Yun; Song, Kyu Seok; Yeon, Jei Won [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-05-15

    Molten salt based electrochemical processes, so called pyroprocessing, have been proposed as a new option for the advanced spent nuclear fuel cycle. One of the important steps in the pyroprocessing of the spent nuclear fuel is the electrorefining of uranium in molten LiCl based media. The knowledge on the electronic states of uranium ions in molten salt media is essential for understanding their optical, electrochemical properties. Electronic absorption spectra may provide detailed information on the chemical state of the ions. Several studies have been reported for the past decades on the electronic absorption spectra of uranium ion species in high temperature molten salt media. However, no attempts have been made to interpret the spectra with respect to the electronic state and chemical bonding point of view. Here, report the results of insitu measurement and interpretation of the electronic spectra of the U(III) and U(IV) ion species in a LiCl- KCl eutectic melt at in terms of chemical bonding

  7. Structural and photovoltaic properties of a-Si (SNc)/c-Si heterojunction fabricated by EBPVD technique

    Energy Technology Data Exchange (ETDEWEB)

    Demiroğlu, D.; Kazmanli, K.; Urgen, M. [Department of Metallurgical and Materials Engineering, Istanbul Technical University, Ayazağa 34469, Istanbul (Turkey); Tatar, B. [Faculty of Arts and Sciences, Department of Physics, Namık Kemal University, Değirmenaltı, Tekirdağ (Turkey)

    2013-12-16

    In last two decades sculptured thin films are very attractive for researches. Some properties of these thin films, like high porosity correspondingly high large surface area, controlled morphology; bring into prominence on them. Sculptured thin films have wide application areas as electronics, optics, mechanics, magnetic and chemistry. Slanted nano-columnar (SnC) thin films are a type of sculptured thin films. In this investigation SnC thin films were growth on n-type crystalline Si(100) and p-type crystalline Si(111) via ultra-high vacuum electron beam evaporation technique. The structural and morphological properties of the amorphous silicon thin films were investigated by XRD, Raman and FE-SEM analysis. According to the XRD and Raman analysis the structure of thin film was amorphous and FE-SEM analysis indicated slanted nano-columns were formed smoothly. Slanted nano-columns a-Si/c-Si heterojunction were prepared as using a photovoltaic device. In this regard we were researched photovoltaic properties of these heterojunction with current-voltage characterization under dark and illumination conditions. Electrical parameters were determined from the current-voltage characteristic in the dark conditions zero-bias barrier height Φ{sub B0} = 0.83−1.00eV; diode ideality factor η = 11.71−10.73; series resistance R{sub s} = 260−31.1 kΩ and shunt resistance R{sub sh} = 25.71−63.5 MΩ SnC a-Si/n-Si and SnC a-Si/p-Si heterojunctions shows a pretty good photovoltaic behavior about 10{sup 3}- 10{sup 4} times. The obtained photovoltaic parameters are such as short circuit current density J{sub sc} 83-40 mA/m{sup 2}, open circuit voltage V{sub oc} 900-831 mV.

  8. 碳纤维增强碳与碳化硅双基体陶瓷基复合材料作为口腔种植体材料的细胞毒性%Cytotoxicity of Carbon Fiber-reinforced C-SiC Binary Matrix Composite (C/C-SiC) for Dental Implant Materials

    Institute of Scientific and Technical Information of China (English)

    方铁钧; 周群; 狄丽莎; 谭兆军; 邓景屹

    2011-01-01

    目的 通过体外细胞培养法评价碳纤维增强碳与碳化硅双基体陶瓷基复合材料(C/C-SiC)对细胞生长和凋亡的影响.方法 用实验材料不同浓度浸提液培养小鼠成纤维细胞L929,采用MTT法检测细胞的相对增殖度;采用急性溶血试验检测材料对血细胞的溶血作用,计算溶血率;采用流式细胞仪、Annexin V-FITC/PI双染法检测阴性对照组、100%C/C-SiC组、纯钛组、阳性对照组的细胞散点图,计算正常细胞、早期凋亡、晚期凋亡和坏死细胞的比例.结果 C/C-SiC复合材料的细胞毒性为1级,溶血率为0.156%,无明显溶血反应,与阴性对照组和纯钛组的差异无统计学意义(P>0.05).C/C-SiC组4个象限细胞比例与纯钛组和阴性对照组比较差异无统计学意义(P>0.05),阳性对照组的早期凋亡、正常细胞比例与其他任一组比较差异均有统计学意义(P<0.05).结论 C/C-SiC复合材料有生物安全性基础,无细胞毒性,无溶血反应.%Objective To evaluate the effect of C/C-SiC composite on the growth and apoptosis of mouse fibroblast cells. Methods Mouse fibroblasts (L929) were cultured in a series of elution of specimen, MTT assay was performed to investigate the relative growth rates;Hemolytic reaction of specimen to blood cells was detected by acute hemolysis test; Cell scatter diagrams of elutes of negative control group,100%C/C-SiC group,ti tanium group,positive control group was detected by Annexin V-FITC/PI double staining,the viable,early apoptotic,late apoptotic and necrosis cells were calculated. Results The cytotoxicity of C/C-SiC composite was grade 1,acute hemolysis rate was 0.156%. There were no significant differences between the negative control group and C/C-SiC group or between the titanium group and C/CSiC group (P > 0.05 );The FACS images showed that the proportions of cells in four quadrants of titanium group,negative control group were not statistically different from C/C-Si

  9. Photocarrier radiometry for predicting the degradation of electrical parameters of monocrystalline silicon (c-Si) solar cell irradiated by 100 KeV proton beams

    Science.gov (United States)

    Song, P.; Liu, J. Y.; Yuan, H. M.; Oliullah, Md.; Wang, F.; Wang, Y.

    2016-09-01

    In this study, the monocrystalline silicon (c-Si) solar cell irradiated by 100 KeV proton beams at various fluences is investigated. A one-dimensional two-layer carrier density wave model has been developed to estimate the minority carrier lifetime of n-region and p-region of the non-irradiated c-Si solar cell by best fitting with the experimental photocarrier radiometry (PCR) signal (the amplitude and the phase). Furthermore, the lifetime is used to determine the initial defect density of the quasi-neutral region (QNR) of the solar cell to predict its I-V characteristics. The theoretically predicted short-circuit current density (Jsc), and open-circuit voltage (Voc) of the non-irradiated samples are in good agreement with experiment. Then a three-region defect distribution model for the c-Si solar cell irradiated by proton beams is carried out to describe the defect density distribution according to Monte Carlo simulation results and the initial defect density of the non-irradiated sample. Finally, we find that the electrical measurements of Jsc and Voc of the solar cells irradiated at different fluences using 100 KeV proton beams are consistent with the PCR predicting results.

  10. Explicit analytical modeling of the low frequency a-Si:H/c-Si heterojunction capacitance: Analysis and application to silicon heterojunction solar cells

    International Nuclear Information System (INIS)

    We develop a fully analytical model in order to describe the temperature dependence of the low frequency capacitance of heterojunctions between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si). We demonstrate that the slope of the capacitance-temperature (C-T) curve is strongly enhanced if the c-Si surface is under strong inversion conditions compared to the usually assumed depletion layer capacitance. We have extended our analytical model to integrate a very thin undoped (i) a-Si:H layer at the interface and the finite thickness of the doped a-Si:H layer that are used in high efficiency solar cells for the passivation of interface defects and to limit short circuit current losses. Finally, using our calculations, we analyze experimental data on high efficiency silicon heterojunction solar cells. The transition from the strong inversion limited behavior to the depletion layer behavior is discussed in terms of band offsets, density of states in a-Si:H, and work function of the indium tin oxide (ITO) front electrode. In particular, it is evidenced that strong inversion conditions prevail at the c-Si surface at high temperatures down to 250 K, which can only be reproduced if the ITO work function is larger than 4.7 eV

  11. Explicit analytical modeling of the low frequency a-Si:H/c-Si heterojunction capacitance: Analysis and application to silicon heterojunction solar cells

    Science.gov (United States)

    Maslova, O.; Brézard-Oudot, A.; Gueunier-Farret, M.-E.; Alvarez, J.; Kleider, J.-P.

    2015-09-01

    We develop a fully analytical model in order to describe the temperature dependence of the low frequency capacitance of heterojunctions between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si). We demonstrate that the slope of the capacitance-temperature (C-T) curve is strongly enhanced if the c-Si surface is under strong inversion conditions compared to the usually assumed depletion layer capacitance. We have extended our analytical model to integrate a very thin undoped (i) a-Si:H layer at the interface and the finite thickness of the doped a-Si:H layer that are used in high efficiency solar cells for the passivation of interface defects and to limit short circuit current losses. Finally, using our calculations, we analyze experimental data on high efficiency silicon heterojunction solar cells. The transition from the strong inversion limited behavior to the depletion layer behavior is discussed in terms of band offsets, density of states in a-Si:H, and work function of the indium tin oxide (ITO) front electrode. In particular, it is evidenced that strong inversion conditions prevail at the c-Si surface at high temperatures down to 250 K, which can only be reproduced if the ITO work function is larger than 4.7 eV.

  12. Evaluation of damage accumulation behavior and strength anisotropy of NITE SiC/SiC composites by acoustic emission, digital image correlation and electrical resistivity monitoring

    Science.gov (United States)

    Nozawa, Takashi; Ozawa, Kazumi; Asakura, Yuuki; Kohyama, Akira; Tanigawa, Hiroyasu

    2014-12-01

    Understanding the cracking process of the composites is essential to establish the design basis for practical applications. This study aims to investigate the damage accumulation process and its anisotropy for nano-infiltration transient eutectic sintered (NITE) SiC/SiC composites by various characterization techniques such as the acoustic emission (AE), digital image correlation (DIC) and electrical resistivity (ER) measurements. Cracking behavior below the proportional limit stress (PLS) was specifically addressed. Similar to the other generic SiC/SiC composites, the 1st AE event was identified below the PLS for NITE SiC/SiC composites with a dependency of fabric orientation. The DIC results support that the primary failure mode depending on fiber orientation affected more than the other minor modes did. Detailed AE waveform analysis by wavelet shows a potential to classify the failure behavior depending on architecture. Cracking below the PLS is a potential concern in component deign but the preliminary ER measurements imply that the impact of cracking below the PLS on composite function was limited.

  13. Decoupling crystalline volume fraction and V{sub OC} in microcrystalline silicon pin solar cells by using a {mu}c-Si:F:H intrinsic layer

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Q.; Johnson, E.V.; Djeridane, Y.; Abramov, A.; Roca i Cabarrocas, P. [LPICM-CNRS, Ecole Polytechnique, Palaiseau (France)

    2008-08-15

    Microcrystalline silicon thin film pin solar cells with a highly crystallized intrinsic {mu}c-Si:F:H absorber were prepared by RF-plasma enhanced chemical vapour deposition using SiF{sub 4} as the gas precursor. The cells were produced with a vacuum break between the doped layer and intrinsic layer depositions, and the effect of different subsequent interface treatment processes was studied. The use of an intrinsic {mu}c-Si:H p/i buffer layer before the first air break increased the short circuit current density from 22.3 mA/cm{sup 2} to 24.7 mA/cm{sup 2}. However, the use of a hydrogen-plasma treatment after both air breaks without an interface buffer layer improved both the open circuit voltage and the fill factor. Although the material used for the absorber layer showed a very high crystalline fraction and thus an increased spectral response at long wavelengths, an open-circuit voltage (V{sub OC}) of 0.523 V was nevertheless observed. Such a value of V{sub OC} is higher than is typically obtained in devices that employ a highly crystallized absorber as reported in the literature (see abstract figure). Using a hydrogen-plasma treatment, a single junction {mu}c-Si:F:H pin solar cell with an efficiency of 8.3% was achieved. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. Explicit analytical modeling of the low frequency a-Si:H/c-Si heterojunction capacitance: Analysis and application to silicon heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Maslova, O. [Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Miusskaya sq., 4, Moscow 125047 (Russian Federation); GeePs (Group of electrical engineering of Paris), CNRS UMR 8507, CentraleSupélec, Univ Paris-Sud, Sorbonne Universités-UPMC Univ Paris 06, 11 rue Joliot-Curie, Plateau de Moulon, F-91192 Gif-sur-Yvette Cedex (France); Brézard-Oudot, A.; Gueunier-Farret, M.-E.; Alvarez, J.; Kleider, J.-P. [GeePs (Group of electrical engineering of Paris), CNRS UMR 8507, CentraleSupélec, Univ Paris-Sud, Sorbonne Universités-UPMC Univ Paris 06, 11 rue Joliot-Curie, Plateau de Moulon, F-91192 Gif-sur-Yvette Cedex (France)

    2015-09-21

    We develop a fully analytical model in order to describe the temperature dependence of the low frequency capacitance of heterojunctions between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si). We demonstrate that the slope of the capacitance-temperature (C-T) curve is strongly enhanced if the c-Si surface is under strong inversion conditions compared to the usually assumed depletion layer capacitance. We have extended our analytical model to integrate a very thin undoped (i) a-Si:H layer at the interface and the finite thickness of the doped a-Si:H layer that are used in high efficiency solar cells for the passivation of interface defects and to limit short circuit current losses. Finally, using our calculations, we analyze experimental data on high efficiency silicon heterojunction solar cells. The transition from the strong inversion limited behavior to the depletion layer behavior is discussed in terms of band offsets, density of states in a-Si:H, and work function of the indium tin oxide (ITO) front electrode. In particular, it is evidenced that strong inversion conditions prevail at the c-Si surface at high temperatures down to 250 K, which can only be reproduced if the ITO work function is larger than 4.7 eV.

  15. LAMMPS Framework for Dynamic Bonding and an Application Modeling DNA

    DEFF Research Database (Denmark)

    Svaneborg, Carsten

    2012-01-01

    and bond types. When breaking bonds, all angular and dihedral interactions involving broken bonds are removed. The framework allows chemical reactions to be modeled, and use it to simulate a simplistic, coarse-grained DNA model. The resulting DNA dynamics illustrates the power of the present framework.......We have extended the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) to support directional bonds and dynamic bonding. The framework supports stochastic formation of new bonds, breakage of existing bonds, and conversion between bond types. Bond formation can be controlled to...... limit the maximal functionality of a bead with respect to various bond types. Concomitant with the bond dynamics, angular and dihedral interactions are dynamically introduced between newly connected triplets and quartets of beads, where the interaction type is determined from the local pattern of bead...

  16. Redox-controlled hydrogen bonding: turning a superbase into a strong hydrogen-bond donor.

    Science.gov (United States)

    Wild, Ute; Neuhäuser, Christiane; Wiesner, Sven; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg

    2014-05-12

    Herein the synthesis, structures and properties of hydrogen-bonded aggregates involving redox-active guanidine superbases are reported. Reversible hydrogen bonding is switched on by oxidation of the hydrogen-donor unit, and leads to formation of aggregates in which the hydrogen-bond donor unit is sandwiched by two hydrogen-bond acceptor units. Further oxidation (of the acceptor units) leads again to deaggregation. Aggregate formation is associated with a distinct color change, and the electronic situation could be described as a frozen stage on the way to hydrogen transfer. A further increase in the basicity of the hydrogen-bond acceptor leads to deprotonation reactions.

  17. Molecular Orbital and Density Functional Study of the Formation, Charge Transfer, Bonding and the Conformational Isomerism of the Boron Trifluoride (BF3 and Ammonia (NH3 Donor-Acceptor Complex

    Directory of Open Access Journals (Sweden)

    Dulal C. Ghosh

    2004-09-01

    Full Text Available The formation of the F3B–NH3 supermolecule by chemical interaction of its fragment parts, BF3 and NH3, and the dynamics of internal rotation about the ‘B–N’ bond have been studied in terms of parameters provided by the molecular orbital and density functional theories. It is found that the pairs of frontier orbitals of the interacting fragments have matching symmetry and are involved in the charge transfer interaction. The donation process stems from the HOMO of the donor into the LUMO of the acceptor and simultaneously, back donation stems from the HOMO of acceptor into the LUMO of the donor. The density functional computation of chemical activation in the donor and acceptor fragments, associated with the physical process of structural reorganization just prior to the event of chemical reaction, indicates that BF3 becomes more acidic and NH3 becomes more basic, compared to their separate equilibrium states. Theoretically it is observed that the chemical reaction event of the formation of the supermolecule from its fragment parts is in accordance with the chemical potential equalization principle of the density functional theory and the electronegativity equalization principle of Sanderson. The energetics of the chemical reaction, the magnitude of the net charge transfer and the energy of the newly formed bond are quite consistent, both internally and with the principle of maximum hardness, PMH. The dynamics of the internal rotation of one part with respect to the other part of the supermolecule about the ‘B–N’ bond mimics the pattern of the conformational isomerism of the isostructural ethane molecule. It is also observed that the dynamics and evolution of molecular conformations as a function of dihedral angles is also in accordance with the principle of maximum hardness, PMH. Quite consistent with spectroscopic predictions, the height of the molecule

  18. SiCp/ZL109复合材料中15R SiC/Si界面的TEM研究%The Study on 15R SiC/Si interface in SiCP/ZL109 composites by means of TEM

    Institute of Scientific and Technical Information of China (English)

    隋贤栋; 罗承萍; 等

    2001-01-01

    用TEM研究了离心铸造的SiCp/ZL109复合材料 中的15R SiC/Si界面。SiC/Si界面结合紧密,无孔洞,无过渡层。15R SiC与其周围的Si保 持以下位向关系:(1105)SiC//(111)Si, [1120]SiC//[112]Si。%15R SiC/Si interface in the SiCp/ZL109 composites fabricated by centri fugal casting were characterized by conventional TEM. The SiC/Si interfaces were found to be clean and closely bonded, with no voids or reaction layers being fo und at the interface. Crystallographic orientation relationship between 15R SiC and Si was found as: (1105)SiC//(111)Si, [1120]SiC//[112] Si.

  19. Specific collapse followed by slow hydrogen-bond formation of β-sheet in the folding of single-chain monellin

    Science.gov (United States)

    Kimura, Tetsunari; Uzawa, Takanori; Ishimori, Koichiro; Morishima, Isao; Takahashi, Satoshi; Konno, Takashi; Akiyama, Shuji; Fujisawa, Tetsuro

    2005-01-01

    Characterization of the conformational landscapes for proteins with different secondary structures is important in elucidating the mechanism of protein folding. The folding trajectory of single-chain monellin composed of a five-stranded β-sheet and a helix was investigated by using a pH-jump from the alkaline unfolded to native state. The kinetic changes in the secondary structures and in the overall size and shape were measured by circular dichroism spectroscopy and small-angle x-ray scattering, respectively. The formation of the tertiary structure was monitored by intrinsic and extrinsic fluorescence. A significant collapse was observed within 300 μs after the pH-jump, leading to the intermediate with a small amount of secondary and tertiary structures but with an overall oblate shape. Subsequently, the stepwise formation of secondary and tertiary structures was detected. The current observation was consistent with the theoretical prediction that a more significant collapse precedes the formation of secondary structures in the folding of β-sheet proteins than that of helical proteins [Shea, J. E., Onuchic, J. N. & Brooks, C. L., III (2002) Proc. Natl. Acad. Sci. USA 99, 16064–16068]. Furthermore, it was implied that the initial collapse was promoted by the formation of some specific structural elements, such as tight turns, to form the oblate shape. PMID:15710881

  20. Specific collapse followed by slow hydrogen-bond formation of beta-sheet in the folding of single-chain monellin.

    Science.gov (United States)

    Kimura, Tetsunari; Uzawa, Takanori; Ishimori, Koichiro; Morishima, Isao; Takahashi, Satoshi; Konno, Takashi; Akiyama, Shuji; Fujisawa, Tetsuro

    2005-02-22

    Characterization of the conformational landscapes for proteins with different secondary structures is important in elucidating the mechanism of protein folding. The folding trajectory of single-chain monellin composed of a five-stranded beta-sheet and a helix was investigated by using a pH-jump from the alkaline unfolded to native state. The kinetic changes in the secondary structures and in the overall size and shape were measured by circular dichroism spectroscopy and small-angle x-ray scattering, respectively. The formation of the tertiary structure was monitored by intrinsic and extrinsic fluorescence. A significant collapse was observed within 300 micros after the pH-jump, leading to the intermediate with a small amount of secondary and tertiary structures but with an overall oblate shape. Subsequently, the stepwise formation of secondary and tertiary structures was detected. The current observation was consistent with the theoretical prediction that a more significant collapse precedes the formation of secondary structures in the folding of beta-sheet proteins than that of helical proteins [Shea, J. E., Onuchic, J. N. & Brooks, C. L., III (2002) Proc. Natl. Acad. Sci. USA 99, 16064-16068]. Furthermore, it was implied that the initial collapse was promoted by the formation of some specific structural elements, such as tight turns, to form the oblate shape. PMID:15710881