WorldWideScience

Sample records for c-si bond formations

  1. SiC-Si interfacial thermal and mechanical properties of reaction bonded SiC/Si ceramic composites

    Science.gov (United States)

    Hsu, Chun-Yen; Deng, Fei; Karandikar, Prashant; Ni, Chaoying

    Reaction bonded SiC/Si (RBSC) ceramic composites are broadly utilized in military, semiconductor and aerospace industries. RBSC affords advanced specific stiffness, hardness and thermal. Interface is a key region that has to be considered when working with any composites. Both thermal and mechanical behaviors of the RBSC are highly dependent on the SiC-Si interface. The SiC-Si interface had been found to act as a thermal barrier in restricting heat transferring at room temperature and to govern the energy absorption ability of the RBSC. However, up to present, the role of the SiC-Si interface to transport heat at higher temperatures and the interfacial properties in the nanoscale have not been established. This study focuses on these critically important subjects to explore scientific phenomena and underlying mechanisms. The RBSC thermal conductivity with volume percentages of SiC at 80 and 90 vol% was measured up to 1,200 °C, and was found to decrease for both samples with increasing environmental temperature. The RBSC with 90 vol% SiC has a higher thermal conductivity than that of the 80 vol%; however, is still significantly lower than that of the SiC. The interfacial thermal barrier effect was found to decrease at higher temperatures close 1200 °C. A custom-made in-situ tensile testing device which can be accommodated inside a ZEISS Auriga 60 FIB/SEM has been setup successfully. The SiC-Si interfacial bonding strength was measured at 98 MPa. The observation and analysis of crack propagation along the SiC-Si interface was achieved with in-situ TEM.

  2. Ab-initio calculation study on the formation mechanism of boron-oxygen complexes in c-Si

    International Nuclear Information System (INIS)

    Boron-oxygen (B-O) complex in crystalline silicon (c-Si) solar cells is responsible for the light-induced efficiency degradation of solar cell. However, the formation mechanism of B-O complex is not clear yet. By Ab-initio calculation, it is found that the stagger-type oxygen dimer (O2ist) should be the component of B-O complex, whose movement occurs through its structure reconfiguration at low temperature, instead of its long-distance diffusion. The O2ist can form two stable “latent centers” with the Bs, which are recombination-inactive. The latent centers can be evolved into the metastable recombination centers via their structure transformation in the presence of excess carriers. These results can well explain the formation behaviors of B-O complexes in c-Si

  3. 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.

  4. Formation of Nanodimensional 3C-SiC Structures from Rice Husks

    Science.gov (United States)

    Gorzkowski, E. P.; Qadri, S. B.; Rath, B. B.; Goswami, R.; Caldwell, J. D.

    2013-05-01

    We have demonstrated that large quantities of β-SiC nanostructures can be obtained from rice husk agricultural waste by using controlled conditions in a thermogravimetric setup. This simple and inexpensive method of producing these structures on a large scale is critical for applications in nanoelectronics, nanosensors, and biotechnology. The temperature and atmosphere are two critical elements in forming either α-cristobalite (SiO2) or β-SiC. Using different characterization methods (x-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy), we have shown that pyrolysis of rice husks in argon atmosphere at 1375°C results in simultaneous formation of carbon nanotubes, β-SiC nanowires/nanorods, and β-SiC powder.

  5. Sequential C-Si Bond Formations from Diphenylsilane: Application to Silanediol Peptide Isostere Precursors

    DEFF Research Database (Denmark)

    Nielsen, Lone; Skrydstrup, Troels

    2008-01-01

    The report of silanediol peptide isosteres as highly active inhibitors of proteolytic enzymes has triggered an increased interest for these compounds, thereby necessitating a general and direct synthetic access to this unusual class of protease inhibitors. In this paper, we report on the two...

  6. 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...

  7. 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.

  8. 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...

  9. Halogen-bonding-triggered supramolecular gel formation.

    OpenAIRE

    Meazza, L.; Foster, J. A.; Fucke, K.; Metrangolo, P.; Resnati, G.; Steed, J. W.

    2013-01-01

    Supramolecular gels are topical soft materials involving the reversible formation of fibrous aggregates using non-covalent interactions. There is significant interest in controlling the properties of such materials by the formation of multicomponent systems, which exhibit non-additive properties emerging from interaction of the components. The use of hydrogen bonding to assemble supramolecular gels in organic solvents is well established. In contrast, the use of halogen bonding to trigger sup...

  10. Orbital entanglement in bond-formation processes

    CERN Document Server

    Boguslawski, Katharina; Barcza, Gergely; Legeza, Ors; Reiher, Markus

    2013-01-01

    The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches for this purpose, various diagnostic tools have been developed. In this work, we elaborate on our previous observation [J. Phys. Chem. Lett. 3, 3129 (2012)] that one- and two-orbital-based entanglement measures provide quantitative means for the assessment and classification of electron correlation effects among molecular orbitals. The dissociation behavior of some prototypical diatomic molecules features all types of correlation effects relevant for chemical bonding. We demonstrate that our entanglement analysis is convenient to dissect these electron correlation effects and to provide a conceptual understanding of bond-forming and bond-breaking processes from the point of view of quantum information theory.

  11. Orbital entanglement in bond-formation processes

    OpenAIRE

    Boguslawski, Katharina; Tecmer, Pawel; Barcza, Gergely; Legeza, Ors; Reiher, Markus

    2013-01-01

    The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches for this purpose, various diagnostic tools have been developed. In this work, we elaborate on our previous observation [J. Phys. Chem. Lett. 3, 3129 (2012)] that one- and two-orbital-based entanglement measures provide quantitative means for the assessment a...

  12. Halogen-bonding-triggered supramolecular gel formation

    Science.gov (United States)

    Meazza, Lorenzo; Foster, Jonathan A.; Fucke, Katharina; Metrangolo, Pierangelo; Resnati, Giuseppe; Steed, Jonathan W.

    2013-01-01

    Supramolecular gels are topical soft materials involving the reversible formation of fibrous aggregates using non-covalent interactions. There is significant interest in controlling the properties of such materials by the formation of multicomponent systems, which exhibit non-additive properties emerging from interaction of the components. The use of hydrogen bonding to assemble supramolecular gels in organic solvents is well established. In contrast, the use of halogen bonding to trigger supramolecular gel formation in a two-component gel (‘co-gel’) is essentially unexplored, and forms the basis for this study. Here, we show that halogen bonding between a pyridyl substituent in a bis(pyridyl urea) and 1,4-diiodotetrafluorobenzene brings about gelation, even in polar media such as aqueous methanol and aqueous dimethylsulfoxide. This demonstrates that halogen bonding is sufficiently strong to interfere with competing gel-inhibitory interactions and create a ‘tipping point’ in gel assembly. Using this concept, we have prepared a halogen bond donor bis(urea) gelator that forms co-gels with halogen bond acceptors.

  13. 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 intrinsic fluorescence. Inter conversion between the two redox states could thus be followed in vitro as well as in vivo by non-invasive fluorimetric measurements. The 1.5 A crystal structure of the oxidized protein revealed a disulfide bond-induced distortion of the beta-barrel, as well 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 the physiological range...

  14. 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.

  15. The morphology of ceramic phases in B x C-SiC-Si infiltrated composites

    International Nuclear Information System (INIS)

    The present communication is concerned with the effect of the carbon source on the morphology of reaction bonded boron carbide (B4C). Molten silicon reacts strongly and rapidly with free carbon to form large, faceted, regular polygon-shaped SiC particles, usually embedded in residual silicon pools. In the absence of free carbon, the formation of SiC relies on carbon that originates from within the boron carbide particles. Examination of the reaction bonded boron carbide revealed a core-rim microstructure consisting of boron carbide particles surrounded by secondary boron carbide containing some dissolved silicon. This microstructure is generated as the outcome of a dissolution-precipitation process. In the course of the infiltration process molten Si dissolves some boron carbide until its saturation with B and C. Subsequently, precipitation of secondary boron carbide enriched with boron and silicon takes place. In parallel, elongated, strongly twinned, faceted SiC particles are generated by rapid growth along preferred crystallographic directions. This sequence of events is supported by X-ray diffraction and microcompositional analysis and well accounted for by the thermodynamic analysis of the ternary B-C-Si system. - Graphical abstract: Bright field TEM image of the rim area between two boron carbide grains

  16. The morphology of ceramic phases in B xC -SiC -Si infiltrated composites

    Science.gov (United States)

    Hayun, S.; Frage, N.; Dariel, M. P.

    2006-09-01

    The present communication is concerned with the effect of the carbon source on the morphology of reaction bonded boron carbide (B 4C). Molten silicon reacts strongly and rapidly with free carbon to form large, faceted, regular polygon-shaped SiC particles, usually embedded in residual silicon pools. In the absence of free carbon, the formation of SiC relies on carbon that originates from within the boron carbide particles. Examination of the reaction bonded boron carbide revealed a core-rim microstructure consisting of boron carbide particles surrounded by secondary boron carbide containing some dissolved silicon. This microstructure is generated as the outcome of a dissolution-precipitation process. In the course of the infiltration process molten Si dissolves some boron carbide until its saturation with B and C. Subsequently, precipitation of secondary boron carbide enriched with boron and silicon takes place. In parallel, elongated, strongly twinned, faceted SiC particles are generated by rapid growth along preferred crystallographic directions. This sequence of events is supported by X-ray diffraction and microcompositional analysis and well accounted for by the thermodynamic analysis of the ternary B-C-Si system.

  17. 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

  18. Antibody catalysis of peptide bond formation.

    OpenAIRE

    Jacobsen, J R; Schultz, P. G.

    1994-01-01

    An antibody generated against a neutral phosphonate diester transition-state (TS not equal to) analog catalyzes the formation of an amide bond between a phenylalanyl amino group and an acyl azide derived from L-alanine. The antibody is selective for L- vs. D-alanine and does not catalyze the hydrolysis of the acyl azide to an appreciable degree. A rate acceleration of 10,000-fold relative to the uncatalyzed reaction is observed. The antibody may achieve its catalytic efficiency both by acting...

  19. 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.

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

    International Nuclear Information System (INIS)

    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

  1. Alkyl Aryl Ether Bond Formation with PhenoFluor**

    OpenAIRE

    Shen, Xiao; Neumann, Constanze N.; Kleinlein, Claudia; Claudia, Nathaniel W.; Ritter, Tobias

    2015-01-01

    An alkyl aryl ether bond formation reaction between phenols and primary and secondary alcohols with PhenoFluor has been developed. The reaction features a broad substrate scope and tolerates many functional groups, and substrates that are challenging for more conventional ether bond forming processes may be coupled. A preliminary mechanistic study indicates reactivity distinct from conventional ether bond formation.

  2. Protein nanopatterns by oxime bond formation.

    Science.gov (United States)

    Christman, Karen L; Broyer, Rebecca M; Schopf, Eric; Kolodziej, Christopher M; Chen, Yong; Maynard, Heather D

    2011-02-15

    Patterning proteins on the nanoscale is important for applications in biology and medicine. As feature sizes are reduced, it is critical that immobilization strategies provide site-specific attachment of the biomolecules. In this study, oxime chemistry was exploited to conjugate proteins onto nanometer-sized features. Poly(Boc-aminooxy tetra(ethylene glycol) methacrylate) was synthesized by free radical polymerization. The polymer was patterned onto silicon wafers using an electron beam writer. Trifluoroacetic acid removal of the Boc groups provided the desired aminooxy functionality. In this manner, patterns of concentric squares and contiguous bowtie shapes were fabricated with 150-170-nm wide features. Ubiquitin modified at the N-terminus with an α-ketoamide group and N(ε)-levulinyl lysine-modified bovine serum albumin were subsequently conjugated to the polymer nanopatterns. Protein immobilization was confirmed by fluorescence microscopy. Control studies on protected surfaces and using proteins presaturated with O-methoxyamine indicated that attachment occurred via oxime bond formation. PMID:21192671

  3. Processing and characterization of B4C-SiC-Si-TiB2 composites

    International Nuclear Information System (INIS)

    B4C-SiC-Si-TiB2 composites were synthesized by a two step process. TiB2 particles in the size range 2-5 μm were generated in situ in the first step and were distributed in the residual silicon present in the reaction bonded boron carbide, in the second step. The composites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), electron probe micro analysis (EPMA) and micro-hardness testing. The density and average hardness of siliconized boron carbide samples with and without TiB2 particle reinforcement were found to be 2.67 g/cm3 and 25 GPa and 2.54 g/cm3 and 21 GPa, respectively.

  4. 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 ...

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

    International Nuclear Information System (INIS)

    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 sp2 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

  6. 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.

  7. 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.

  8. Behavior of W–SiC/SiC dual layer tiles under LHD plasma exposure

    Energy Technology Data Exchange (ETDEWEB)

    Mohrez, Waleed A., E-mail: dalywaleed@hotmail.com [Graduate School of Chemical and Materials Engineering, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan); The nuclear materials authority, Cairo, Maadi (Egypt); Kishimoto, Hirotatsu; Kohno, Yutaka; Hirotaki, S. [College of Design and Manufacturing Technology, Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan); Kohyama, Akira [Organization of Advanced Sustainability Initiative for Energy System/Material (OASIS), Muroran Institute of Technology, Muroran, Hokkaido 050-8585 (Japan)

    2013-11-15

    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 and D has been emphasized. This report provides the high performance HHFC materials R and 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/m{sup 2} 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.

  9. 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.

  10. 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...

  11. Oxidation behavior of SiC/SiC composites for helium cooled solid breeder blanket

    International Nuclear Information System (INIS)

    In order to evaluate the oxidation behavior and mechanism of SiC/SiC composites with conventional pyrolitic graphite interface (PyC-SiC/SiC) and advanced multilayer interface (ML-SiC/SiC) in a HCSB blanket environment, a thermal gravimetric analysis (TGA) in He + O2 environment at 1000 deg. C and 1200 deg. C was performed. The PyC-SiC/SiC at 1200 deg. C and the ML-SiC/SiC at 1000 deg. C and 1200 deg. C showed relatively smaller weight change during oxidation because SiO2 formed on the SiC-matrix and SiC-fiber sealed the specimen surface before the PyC interface recession by gasification of graphite due to relatively high SiO2 formation rate. While the PyC-SiC/SiC at 1000 deg. C showed significant weight loss because the specimen surface was not sealed by SiO2 and significant PyC interface recession occurred due to relatively slow SiO2 formation

  12. FIRST-PRINCIPLES STUDY OF ELECTRONIC AND OPTICAL PROPERTIES OF Mn-DOPED 3C-SiC FILMS

    OpenAIRE

    NAICHAO CHEN; JIANGXIN REN; QUNZHI ZHU; PING HE

    2014-01-01

    The electronic and optical properties of Mn-doped 3C-SiC films are investigated by the first-principles calculation. The structure of Mn-doped 3C-SiC is modeled by substituting Mn atom for C or Si atom in 3C-SiC lattice. The results suggest that Mn-C and Mn-Si bonds can exist in the Mn-doped 3C-SiC. Mn location in 3C-SiC lattice significantly affects the crystal structure of Mn-doped 3C-SiC, and the Mn atom substitution for C or Si sites of 3C-SiC lattice can induce to the difference of indir...

  13. 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

  14. Transition metal-catalyzed C(vinyl)-C(vinyl) bond formation via double C(vinyl)-H bond activation.

    Science.gov (United States)

    Shang, Xiaojie; Liu, Zhong-Quan

    2013-04-21

    Transition metal-catalyzed oxidative dehydrogenative coupling reactions of Caryl-H bonds with Cvinyl-H bonds to generate a Caryl-Cvinyl bonds have been well developed in recent decades. However, only a few studies have focused on the direct Cvinyl-Cvinyl bond formation via double Cvinyl-H bond activation. Recent developments in this active area have been highlighted in this tutorial review. PMID:23318664

  15. Ribosomal crystallography: peptide bond formation and its inhibition.

    Science.gov (United States)

    Bashan, Anat; Zarivach, Raz; Schluenzen, Frank; Agmon, Ilana; Harms, Joerg; Auerbach, Tamar; Baram, David; Berisio, Rita; Bartels, Heike; Hansen, Harly A S; Fucini, Paola; Wilson, Daniel; Peretz, Moshe; Kessler, Maggie; Yonath, Ada

    2003-09-01

    Ribosomes, the universal cellular organelles catalyzing the translation of genetic code into proteins, are protein/RNA assemblies, of a molecular weight 2.5 mega Daltons or higher. They are built of two subunits that associate for performing protein biosynthesis. The large subunit creates the peptide bond and provides the path for emerging proteins. The small has key roles in initiating the process and controlling its fidelity. Crystallographic studies on complexes of the small and the large eubacterial ribosomal subunits with substrate analogs, antibiotics, and inhibitors confirmed that the ribosomal RNA governs most of its activities, and indicated that the main catalytic contribution of the ribosome is the precise positioning and alignment of its substrates, the tRNA molecules. A symmetry-related region of a significant size, containing about two hundred nucleotides, was revealed in all known structures of the large ribosomal subunit, despite the asymmetric nature of the ribosome. The symmetry rotation axis, identified in the middle of the peptide-bond formation site, coincides with the bond connecting the tRNA double-helical features with its single-stranded 3' end, which is the moiety carrying the amino acids. This thus implies sovereign movements of tRNA features and suggests that tRNA translocation involves a rotatory motion within the ribosomal active site. This motion is guided and anchored by ribosomal nucleotides belonging to the active site walls, and results in geometry suitable for peptide-bond formation with no significant rearrangements. The sole geometrical requirement for this proposed mechanism is that the initial P-site tRNA adopts the flipped orientation. The rotatory motion is the major component of unified machinery for peptide-bond formation, translocation, and nascent protein progression, since its spiral nature ensures the entrance of the nascent peptide into the ribosomal exit tunnel. This tunnel, assumed to be a passive path for the

  16. Processing and characterization of B{sub 4}C-SiC-Si-TiB{sub 2} composites

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Manish, E-mail: patelmet@yahoo.co.uk [Defence Metallurgical Research Laboratory, Hyderabad 58 (India); Subrahmanyam, J.; Prasad, V.V. Bhanu; Goyal, Rajnish [Defence Metallurgical Research Laboratory, Hyderabad 58 (India)

    2010-06-25

    B{sub 4}C-SiC-Si-TiB{sub 2} composites were synthesized by a two step process. TiB{sub 2} particles in the size range 2-5 {mu}m were generated in situ in the first step and were distributed in the residual silicon present in the reaction bonded boron carbide, in the second step. The composites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), electron probe micro analysis (EPMA) and micro-hardness testing. The density and average hardness of siliconized boron carbide samples with and without TiB{sub 2} particle reinforcement were found to be 2.67 g/cm{sup 3} and 25 GPa and 2.54 g/cm{sup 3} and 21 GPa, respectively.

  17. Visible light induced C-C bond formation

    OpenAIRE

    Paria, Suva

    2015-01-01

    This Ph.D thesis demonstrates the development of new methodologies for C-C bond formation triggered by visible light photoredox catalysis. In Chapter 1, we have outlined a short overview on Copper in Photocatalysis. Starting from the photophysical properties of copper complexes, a comparison of main excited state aspects of prevalently used ruthenium and iridium complexes with that of copper has been shown. Several UV and visible light mediated synthetic transformation utilizing copper ca...

  18. 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

  19. The C-, Si-, Ge-doped (6,3) chiral BNNTs. A computational study

    International Nuclear Information System (INIS)

    Electronic structure properties including bond lengths, bond angles, dipole moments (μ), energies, band gaps, nuclear magnetic resonance (NMR) parameters of the isotropic and anisotropic chemical shielding parameters for the sites of various atoms were calculated using density functional theory for C-, Si-, and Ge-doped (6,3) chiral BNNTs. The calculations indicated that average bond lengths were as follows: Ge-N>Si-N>C-N and Ge-B>Si-B>C-B. The dipole moments for C-, Si-, and Ge-doped (6,3) chiral BNNTs structures show fairly large changes with respect to the pristine model.

  20. Intermetallic compound formation at Cu-Al wire bond interface

    International Nuclear Information System (INIS)

    Intermetallic compound (IMC) formation and evolution at Cu-Al wire bond interface were studied using focused ion beam /scanning electron microscopy, transmission electron microscopy (TEM)/energy dispersive x-ray spectroscopy (EDS), nano beam electron diffraction (NBED) and structure factor (SF) calculation. It was found that discrete IMC patches were formed at the Cu/Al interface in as-packaged state and they grew toward Al pad after high temperature storage (HTS) environment at 150 °C. TEM/EDS and NBED results combined with SF calculation revealed the evidence of metastable θ′-CuAl2 IMC phase (tetragonal, space group: I4m2, a = 0.404 nm, c= 0.580 nm) formed at Cu/Al interfaces in both of the as-packaged and the post-HTS samples. Two feasible mechanisms for the formation of the metastable θ′-CuAl2 phase are discussed based on (1) non-equilibrium cooling of wire bond that is attributed to highly short bonding process time and (2) the epitaxial relationships between Cu and θ′-CuAl2, which can minimize lattice mismatch for θ′-CuAl2 to grow on Cu.

  1. 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

  2. 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.

  3. 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...

  4. Silicon-Carbon Bond Formation via Nickel-Catalyzed Cross-Coupling of Silicon Nucleophiles with Unactivated Secondary and Tertiary Alkyl Electrophiles.

    Science.gov (United States)

    Chu, Crystal K; Liang, Yufan; Fu, Gregory C

    2016-05-25

    A wide array of cross-coupling methods for the formation of C-C bonds from unactivated alkyl electrophiles have been described in recent years. In contrast, progress in the development of methods for the construction of C-heteroatom bonds has lagged; for example, there have been no reports of metal-catalyzed cross-couplings of unactivated secondary or tertiary alkyl halides with silicon nucleophiles to form C-Si bonds. In this study, we address this challenge, establishing that a simple, commercially available nickel catalyst (NiBr2·diglyme) can achieve couplings of alkyl bromides with nucleophilic silicon reagents under unusually mild conditions (e.g., -20 °C); especially noteworthy is our ability to employ unactivated tertiary alkyl halides as electrophilic coupling partners, which is still relatively uncommon in the field of cross-coupling chemistry. Stereochemical, relative reactivity, and radical-trap studies are consistent with a homolytic pathway for C-X bond cleavage. PMID:27187869

  5. 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

  6. 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.

  7. 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.

  8. Evaluation of microindentation properties of epitaxial 3C-SiC/Si thin films

    Science.gov (United States)

    Geetha, D.; Sophia, P. Joice; Arivuoli, D.

    2016-06-01

    The microhardness characteristics of 3C-SiC/Si films grown by vapor phase epitaxy were investigated using Vickers and Knoop indenters. The observed hardness behavior at lower load range is being attributed to indentation size effect while the substrate hardness effect is found to be prominent at higher loads. The related mechanical properties such as fracture toughness, brittleness index, and yield stress were also evaluated. In order to study the nature and behavior of the surface topography during the deformation process for the applied load, detailed atomic force microscopy images were obtained around the indented regions of the samples. It revealed that the indents formed at higher loads showed fracture characteristics with a pattern of radial cracks propagating from the indent corners.

  9. 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.

  10. 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.

  11. Mild Catalytic methods for Alkyl-Alkyl Bond Formation

    Energy Technology Data Exchange (ETDEWEB)

    Vicic, David A

    2009-08-10

    Overview of Research Goals and Accomplishments for the Period 07/01/06 – 06/30/07: Our overall research goal is to transform the rapidly emerging synthetic chemistry involving alkyl-alkyl cross-couplings into more of a mechanism-based field so that that new, rationally-designed catalysts can be performed under energy efficient conditions. Our specific objectives for the previous year were 1) to obtain a proper electronic description of an active catalyst for alkyl-alkyl cross-coupling reactions and 2) to determine the effect of ligand structure on the rate, scope, selectivity, and functional group compatibility of C(sp3)-C(sp3) cross-coupling catalysis. We have completed both of these initial objectives and established a firm base for further studies. The specific significant achievements of the current grant period include: 1) we have performed magnetic and computational studies on (terpyridine)NiMe, an active catalyst for alkyl-alkyl cross couplings, and have discovered that the unpaired electron resides heavily on the terpyridine ligand and that the proper electronic description of this nickel complex is a Ni(II)-methyl cation bound to a reduced terpyridine ligand; 2) we have for the first time shown that alkyl halide reduction by terpyridyl nickel catalysts is substantially ligand based; 3) we have shown by isotopic labeling studies that the active catalyst (terpyridine)NiMe is not produced via a mechanism that involves the formation of methyl radicals when (TMEDA)NiMe2 is used as the catalyst precursor; 4) we have performed an extensive ligand survey for the alkyl-alkyl cross-coupling reactions and have found that electronic factors only moderately influence reactivity in the terpyridine-based catalysis and that the most dramatic effects arise from steric and solubility factors; 5) we have found that the use of bis(dialkylphosphino)methanes as ligands for nickel does not produce active catalysts for cross-coupling but rather leads to bridging hydride

  12. Molecular and ionic hydrogen bond formation in fluorous solvents.

    Science.gov (United States)

    O'Neal, Kristi L; Weber, Stephen G

    2009-01-01

    There are only a few studies of noncovalent association in fluorous solvents and even fewer that are quantitative. A full understanding, particularly of stoichiometry and binding strength of noncovalent interactions in fluorous solvents could be very useful in improved molecular-receptor-based extractions, advancements in sensor technologies, crystal engineering, and supramolecular chemistry. This work investigates hydrogen bonding between heterocyclic bases and a perfluoropolyether with a terminal carboxylic acid group (Krytox 157FSH (1)), chiefly in FC-72 (a mixture of perfluorohexanes). In particular, we were interested in whether or not proton transfer occurs, and if so, under what conditions in H-bonded complexes. Continuous variations experiments show that in FC-72 weaker bases (pyrazine, pyrimidine, and quinazoline) form 1:1 complexes with 1, whereas stronger bases (quinoline, pyridine, and isoquinoline) form 1:3 complexes. Ultraviolet and infrared spectral signatures reveal that the 1:1 complexes are molecular (B.HA) whereas the 1:3 complexes are ionic (BH+.A-HAHA). Infrared spectra of 1:3 ionic complexes are discussed in detail. Literature and experimental data on complexes between N-heterocyclic bases and carboxylic acids in a range of solvents are compiled to compare solvent effects on proton transfer. Polar solvents support ionic hydrogen bonds at a 1:1 mol ratio. In nonpolar organic solvents, ionic hydrogen bonds are only observed in complexes with 1:2 (base/acid) stoichiometries. In fluorous solvents, a larger excess of acid, 1:3, is necessary to facilitate proton transfer in hydrogen bonds between carboxylic acids and the bases studied. PMID:19195102

  13. 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.

  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. Covalent bonding and bandgap formation in intermetallic compounds: a case study for Al3V

    International Nuclear Information System (INIS)

    We demonstrate that a special hybridization between the Al(s, p) and V(d) orbitals which is responsible for forming of a deep pseudogap near the Fermi level in the Al3V compound is also associated with the formation of covalent bonds. We analyse the charge distribution in the elementary cell and find an enhanced charge density along the Al-V bonds and certain Al-Al bonds which is characteristic for covalent bonding. The role of the point-group symmetry and the character of the hybrid orbitals forming the covalent bonds are investigated. It is demonstrated that the deep pseudogap close to the Fermi level arises from the bonding-antibonding of the hybrid orbitals. (author)

  18. "Pnicogen bonds" or "chalcogen bonds": exploiting the effect of substitution on the formation of PSe noncovalent bonds.

    Science.gov (United States)

    Shukla, Rahul; Chopra, Deepak

    2016-05-18

    In this article, we have analyzed the nature and characteristics of PSe noncovalent interactions by studying the effect of substitution on XH2PSeH2, H3PSeHX and XH2PSeHX (X= -H, -F, -CH3, -CF3, -Cl, -OH, -OCH3, -NH2, -NHCH3, and -CN) as our systems of interest at MP2/aug-cc-pVDZ level of theory. Binding energy calculations depict that binding energy increases in the order XH2PSeH2 < H3PSeHX < XH2PSeHX with the nature of the substituent having a direct effect on the strength of the interactions. PSe contacts as short as 2.52 Å were observed and analyzed in our study. The energy values for PSe contacts were found to exist in the range of -1.20 kcal mol(-1) to -7.89 kcal mol(-1). The topological analysis confirms the presence of PSe contacts in all the complexes with characteristics similar to hydrogen bonds. NBO analysis helped in categorizing these interactions into pnicogen and chalcogen bonds, depending on the strength of P(lp) to σ*(Se-X) orbitals or Se(lp) to σ*(P-X) orbitals. PMID:27145973

  19. 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

  20. 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...

  1. 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...

  2. 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.

  3. Monitoring Backbone Hydrogen-Bond Formation in β-Barrel Membrane Protein Folding.

    Science.gov (United States)

    Raschle, Thomas; Rios Flores, Perla; Opitz, Christian; Müller, Daniel J; Hiller, Sebastian

    2016-05-10

    β-barrel membrane proteins are key components of the outer membrane of bacteria, mitochondria and chloroplasts. Their three-dimensional structure is defined by a network of backbone hydrogen bonds between adjacent β-strands. Here, we employ hydrogen-deuterium (H/D) exchange in combination with NMR spectroscopy and mass spectrometry to monitor backbone hydrogen bond formation during folding of the outer membrane protein X (OmpX) from E. coli in detergent micelles. Residue-specific kinetics of interstrand hydrogen-bond formation were found to be uniform in the entire β-barrel and synchronized to formation of the tertiary structure. OmpX folding thus propagates via a long-lived conformational ensemble state in which all backbone amide protons exchange with the solvent and engage in hydrogen bonds only transiently. Stable formation of the entire OmpX hydrogen bond network occurs downhill of the rate-limiting transition state and thus appears cooperative on the overall folding time scale. PMID:27062600

  4. 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.

  5. 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...

  6. Annealing induced defects in SiC, SiO{sub x} single layers, and SiC/SiO{sub x} hetero-superlattices

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Kaining; Aeberhard, Urs; Beyer, Wolfhard; Astakhov, Oleksandr; Koehler, Florian; Finger, Friedhelm; Carius, Reinhard; Rau, Uwe [IEK5-Photovoltaik, Forschungszentrum Juelich, Leo-Brandt-Strasse, 52425 Juelich (Germany); Breuer, Uwe [Central Division of Analytical Chemistry (ZCH), Forschungszentrum Juelich, Leo-Brandt-Strasse, 52425 Juelich (Germany)

    2012-10-15

    SiC/SiO{sub x} hetero-superlattices as well as single layers of SiC and SiO{sub x} were fabricated and annealed at various annealing temperatures to investigate the evolution of annealing induced defects in these materials. We show that in SiC and SiO{sub x} materials and in SiC/SiO{sub x} multilayer system, crystallization, atomic diffusion, structural reconstruction, and hydrogen effusion take place upon annealing with different characteristic temperature dependences. The dependence of the spin densities on annealing temperature is explained as an overlap of the temperature dependence of the creation of additional dangling bonds due to hydrogen effusion and of the healing of dangling bonds due to element motion during the structural reconstruction. The stronger increase of spin density upon annealing in SiC as compared to SiO{sub 1.2} is ascribed to the effusion of a higher amount of hydrogen and the less efficient atomic diffusion up to the annealing temperature of 1050 C. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. 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.

  8. 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.

  9. Toxin-induced pore formation is hindered by intermolecular hydrogen bonding in sphingomyelin bilayers.

    Science.gov (United States)

    García-Linares, Sara; Palacios-Ortega, Juan; Yasuda, Tomokazu; Åstrand, Mia; Gavilanes, José G; Martínez-Del-Pozo, Álvaro; Slotte, J Peter

    2016-06-01

    Sticholysin I and II (StnI and StnII) are pore-forming toxins that use sphingomyelin (SM) for membrane binding. We examined how hydrogen bonding among membrane SMs affected the StnI- and StnII-induced pore formation process, resulting in bilayer permeabilization. We compared toxin-induced permeabilization in bilayers containing either SM or dihydro-SM (lacking the trans Δ(4) double bond of the long-chain base), since their hydrogen-bonding properties are known to differ greatly. We observed that whereas both StnI and StnII formed pores in unilamellar vesicles containing palmitoyl-SM or oleoyl-SM, the toxins failed to similarly form pores in vesicles prepared from dihydro-PSM or dihydro-OSM. In supported bilayers containing OSM, StnII bound efficiently, as determined by surface plasmon resonance. However, StnII binding to supported bilayers prepared from dihydro-OSM was very low under similar experimental conditions. The association of the positively charged StnII (at pH7.0) with unilamellar vesicles prepared from OSM led to a concentration-dependent increase in vesicle charge, as determined from zeta-potential measurements. With dihydro-OSM vesicles, a similar response was not observed. Benzyl alcohol, which is a small hydrogen-bonding compound with affinity to lipid bilayer interfaces, strongly facilitated StnII-induced pore formation in dihydro-OSM bilayers, suggesting that hydrogen bonding in the interfacial region originally prevented StnII from membrane binding and pore formation. We conclude that interfacial hydrogen bonding was able to affect the membrane association of StnI- and StnII, and hence their pore forming capacity. Our results suggest that other types of protein interactions in bilayers may also be affected by hydrogen-bonding origination from SMs. PMID:26975250

  10. 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 intrinsic fluorescence. Inter conversion between the two redox states could thus be followed in vitro as well as in vivoby non- invasive fluorimetric measurements. The 1.5 Angstrom crystal structure of the oxidized protein revealed a disulfide bond- induced distortion of the beta -barrel, as well...... 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...

  11. Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses.

    Science.gov (United States)

    Guedda, H Z; Ouahrani, T; Morales-García, A; Franco, R; Salvadó, M A; Pertierra, P; Recio, J M

    2016-03-01

    The response of 3C-SiC to hydrostatic pressure and to several uni- and bi-axial stress conditions is thoroughly investigated using first principles calculations. A topological interpretation of the chemical bonding reveals that the so-called non-covalent interactions enhance only at high pressure while the nature of the covalent Si-C bonding network keeps essentially with the same pattern. The calculated low compressibility agrees well with experimental values and is in concordance with the high structural stability of this polymorph under hydrostatic pressure. Under uniaxial [001] stress, the c/a ratio shows a noticeable drop inducing a closure of the band gap and the emergence of a metallic state around 40 GPa. This behavior correlates with a plateau of the electron localization function exhibiting a roughly constant and non-negligible value surrounding CSi4 and SiC4 covalent bonded units. PMID:26922870

  12. 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.

  13. 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)

  14. Tribromobenzene on Cu(111): Temperature-dependent formation of halogen-bonded, organometallic, and covalent nanostructures

    International Nuclear Information System (INIS)

    The temperature-controlled surface-assisted synthesis of halogen bonded, organometallic, and covalent nanostructures based on 1,3,5-tribromo-benzene (TriBB) was studied with scanning tunneling microscopy and X-ray photoemission spectroscopy in ultrahigh vacuum. Vapor deposition of TriBB onto a Cu(111) surface held at 90 K leads to the formation of large domains of a honeycomb-like organic monolayer structure stabilized by triangular nodes with Br⋯Br intermolecular bonds. Upon annealing the organic monolayer to ∼140 K, a new hexagonal close-packed structure with intact TriBB molecules connected by Cu adatoms is formed. Further warming up the sample to 300 K gives rise to the scission of C–Br bonds and formation of C–Cu–C bonds between phenyl fragments such that stable dendritic organometallic networks are formed. Larger islands of organometallic networks are obtained by maintaining the temperature of Cu(111) at 420 K during deposition of TriBB. Simultaneously, large islands of Br atoms are formed around the organometallic networks. Annealing the more extended organometallic network (prepared at 420 K) to 520 K leads to the formation of a branched covalent organic framework (COF) which comprises structural elements of porous graphene and is surrounded by Br islands. These organometallic networks and COFs appear as small dendritic and branched domains, most likely due to the steric influence exerted by the Br islands

  15. Tribromobenzene on Cu(111): Temperature-dependent formation of halogen-bonded, organometallic, and covalent nanostructures

    Science.gov (United States)

    Fan, Qitang; Wang, Tao; Liu, Liming; Zhao, Jin; Zhu, Junfa; Gottfried, J. Michael

    2015-03-01

    The temperature-controlled surface-assisted synthesis of halogen bonded, organometallic, and covalent nanostructures based on 1,3,5-tribromo-benzene (TriBB) was studied with scanning tunneling microscopy and X-ray photoemission spectroscopy in ultrahigh vacuum. Vapor deposition of TriBB onto a Cu(111) surface held at 90 K leads to the formation of large domains of a honeycomb-like organic monolayer structure stabilized by triangular nodes with Br⋯Br intermolecular bonds. Upon annealing the organic monolayer to ˜140 K, a new hexagonal close-packed structure with intact TriBB molecules connected by Cu adatoms is formed. Further warming up the sample to 300 K gives rise to the scission of C-Br bonds and formation of C-Cu-C bonds between phenyl fragments such that stable dendritic organometallic networks are formed. Larger islands of organometallic networks are obtained by maintaining the temperature of Cu(111) at 420 K during deposition of TriBB. Simultaneously, large islands of Br atoms are formed around the organometallic networks. Annealing the more extended organometallic network (prepared at 420 K) to 520 K leads to the formation of a branched covalent organic framework (COF) which comprises structural elements of porous graphene and is surrounded by Br islands. These organometallic networks and COFs appear as small dendritic and branched domains, most likely due to the steric influence exerted by the Br islands.

  16. Tribromobenzene on Cu(111): Temperature-dependent formation of halogen-bonded, organometallic, and covalent nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Qitang; Wang, Tao; Zhu, Junfa, E-mail: jfzhu@ustc.edu.cn [National Synchrotron Radiation Laboratory and Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Hefei 230029 (China); Liu, Liming; Zhao, Jin [Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026,People’s Republic of China (China); Gottfried, J. Michael, E-mail: michael.gottfried@chemie.uni-marburg.de [Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str. 4, 35032 Marburg (Germany)

    2015-03-14

    The temperature-controlled surface-assisted synthesis of halogen bonded, organometallic, and covalent nanostructures based on 1,3,5-tribromo-benzene (TriBB) was studied with scanning tunneling microscopy and X-ray photoemission spectroscopy in ultrahigh vacuum. Vapor deposition of TriBB onto a Cu(111) surface held at 90 K leads to the formation of large domains of a honeycomb-like organic monolayer structure stabilized by triangular nodes with Br⋯Br intermolecular bonds. Upon annealing the organic monolayer to ∼140 K, a new hexagonal close-packed structure with intact TriBB molecules connected by Cu adatoms is formed. Further warming up the sample to 300 K gives rise to the scission of C–Br bonds and formation of C–Cu–C bonds between phenyl fragments such that stable dendritic organometallic networks are formed. Larger islands of organometallic networks are obtained by maintaining the temperature of Cu(111) at 420 K during deposition of TriBB. Simultaneously, large islands of Br atoms are formed around the organometallic networks. Annealing the more extended organometallic network (prepared at 420 K) to 520 K leads to the formation of a branched covalent organic framework (COF) which comprises structural elements of porous graphene and is surrounded by Br islands. These organometallic networks and COFs appear as small dendritic and branched domains, most likely due to the steric influence exerted by the Br islands.

  17. Oligomerization reactions of deoxyribonucleotides on montmorillonite clay - The effect of mononucleotide structure on phosphodiester bond formation

    Science.gov (United States)

    Ferris, James P.; KAMALUDDIN

    1989-01-01

    The formation of oligomers from deoxynucleotides, catalyzed by Na(+)-montmorillonite, was investigated with special attention given to the effect of the monomer structure on the phosphodiester bond formation. It was found that adenine deoxynucleotides bind more strongly to montmorillonite than do the corresponding ribonucleotides and thymidine nucleotides. Tetramers of 2-prime-dpA were detected in the reaction of 2-prime-d-5-prime-AMP with a water-soluble carbodiimide EDAC in the presence of Na(+)-montmorillonite, illustrating the possible role of minerals in the formation of biopolymers on the primitive earth.

  18. 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

  19. Practical carbon-carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation.

    Science.gov (United States)

    Lu, Xi; Xiao, Bin; Zhang, Zhenqi; Gong, Tianjun; Su, Wei; Yi, Jun; Fu, Yao; Liu, Lei

    2016-01-01

    New carbon-carbon bond formation reactions expand our horizon of retrosynthetic analysis for the synthesis of complex organic molecules. Although many methods are now available for the formation of C(sp(2))-C(sp(3)) and C(sp(3))-C(sp(3)) bonds via transition metal-catalyzed cross-coupling of alkyl organometallic reagents, direct use of readily available olefins in a formal fashion of hydrocarbonation to make C(sp(2))-C(sp(3)) and C(sp(3))-C(sp(3)) bonds remains to be developed. Here we report the discovery of a general process for the intermolecular reductive coupling of unactivated olefins with alkyl or aryl electrophiles under the promotion of a simple nickel catalyst system. This new reaction presents a conceptually unique and practical strategy for the construction of C(sp(2))-C(sp(3)) and C(sp(3))-C(sp(3)) bonds without using any organometallic reagent. The reductive olefin hydrocarbonation also exhibits excellent compatibility with varieties of synthetically important functional groups and therefore, provides a straightforward approach for modification of complex organic molecules containing olefin groups. PMID:27033405

  20. 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

  1. C–C Bond formation catalyzed by natural gelatin and collagen proteins

    OpenAIRE

    Dennis Kühbeck; Basab Bijayi Dhar; Eva-Maria Schön; Carlos Cativiela; Vicente Gotor-Fernández; David Díaz Díaz

    2013-01-01

    The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved...

  2. 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...

  3. 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.

  4. Formation of metalsbnd F bonds during frictional sliding: Influence of water and applied load

    Science.gov (United States)

    Shen, J. T.; Pei, Y. T.; De Hosson, J. Th. M.

    2016-04-01

    Effects of water lubrication and applied load on the formation of PTFE transfer films and metalsbnd F bonds during sliding when PTFE filled composites sliding against steel and Al2O3 are investigated. In water-lubricated conditions, XPS analysis reveals that a thin layer of water molecules at the sliding interface inhibits the formation of PTFE transfer films and Alsbnd F bonds on the Al2O3 ball, leading to a detrimental effect on the tribo-performance. Under various normal loads in dry sliding condition, it is found that the smearing of PTFE onto the wear surface of the composite and the transfer of PTFE onto the surface of the steel counterpart are stimulated by a high load. During sliding, the contact pressure is found to be the driving force of the reaction between steel and PTFE. It is concluded that under various loads, the total amount of PTFE transfer films has a larger impact on the friction behavior than the formation of Fesbnd F bonds.

  5. 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

  6. 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.

  7. SiC/SiC composite for fusion by NITE process and its performance

    International Nuclear Information System (INIS)

    A new process, named Nano-powder Infiltration and Transient Eutectoid (NITE) process, has been developed and unidirectional SiC/SiC composites were prepared, and the effects of densification conditions on the microstructural evolution and mechanical properties were investigated. Carbon coated fibers were used as reinforcement and SiC nano-powders were used for matrix formation with certain amount of sintering additives. Density of the composites was improved with the increment of either temperature or pressure. Highest tensile strength was obtained at 1780C under 20MPa from the laboratory scale production. Many advantages of the NITE process were suggested as, promising mechanical properties, moderate to high thermal conductivity, very low gas permeability and low production cost. Based on the results, a large scale production was performed as the first trial at Ube Industries Ltd., Japan. Where 10cm cubic two-dimensionally reinforced SiC/SiC composites, 10cm diameter and 1cm diameter tubes and even a model component of real sized motor generator combustion liner head were produced by the NITE process. The excellent performance of these 2D SiC/SiC composites is provided. (author)

  8. 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.

  9. Functionalized alkynyl-chlorogermanes: hydrometallation, Ge-Cl bond activation, Ge-H bond formation and chlorine-tert-butyl exchange via a transient germyl cation.

    Science.gov (United States)

    Honacker, Christian; Qu, Zheng-Wang; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Uhl, Werner

    2016-04-14

    Treatment of alkynyl-arylchlorogermanes ArylnGe(Cl)(C[triple bond, length as m-dash]C-(t)Bu)3-n (n = 1, 2) with HM(t)Bu2 (M = Al, Ga) yielded mixed Al or Ga alkenyl-alkynylchlorogermanes via hydrometallation reactions. Intramolecular interactions between the Lewis-basic Cl atoms and the Lewis-acidic Al or Ga atoms afforded MCGeCl heterocycles. The endocyclic M-Cl distances were significantly lengthened compared to the starting compounds and indicated Ge-Cl bond activation. Dual hydrometallation succeeded only with HGa(t)Bu2. One Ga atom of the product was involved in a Ga-Cl bond, while the second one had an interaction to a C-H bond of a phenyl group. In two cases treatment of chlorogermanes with two equivalents of HAl(t)Bu2 resulted in hydroalumination of one alkynyl group and formation of unprecedented Ge-H functionalized germanes, Aryl-Ge(H)(C[triple bond, length as m-dash]C-(t)Bu)[C(Al(t)Bu2)[double bond, length as m-dash]C(H)-(t)Bu] (Aryl = mesityl, triisopropylphenyl). The Al atoms of these compounds interacted with the α-C atoms of the alkynyl groups. Ph(Cl)Ge(C[triple bond, length as m-dash]C-(t)Bu)[C(Al(t)Bu2}[double bond, length as m-dash]C(H)-(t)Bu] reacted in an unusual Cl/(t)Bu exchange to yield the tert-butylgermane Ph((t)Bu)Ge(C[triple bond, length as m-dash]C-(t)Bu)[C{Al((t)Bu)(Cl)}[double bond, length as m-dash]C(H)-(t)Bu]. Quantum chemical calculations suggested the formation of a germyl cation as a transient intermediate. PMID:26610394

  10. 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

  11. 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.

  12. 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)

  13. 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.

  14. Correlation of particle impact conditions with bonding, nanocrystal formation and mechanical properties in kinetic sprayed nickel

    International Nuclear Information System (INIS)

    Owing to the specific high-strain-rate thermomechanical characteristics of Ni particle impact in kinetic spraying, the rebound phenomenon of the impacting particles hinders the formation of the first layer and impedes successful build-up of the coating. Even at higher impact velocities, the deposition efficiency of the coating is quite low because of excessive kinetic energy, which induces the rebound and/or erosion of the highly flattened particles. This paper reports noticeably improved bonding and deposition characteristics of Ni particles resulting from suppressed equivalent (von Mises) flow stress and enhanced interface heat-up as a result of powder preheating. Experimental observations coupled with finite-element modeling (FEM) corroborate the fact that the thermally softened Ni particle is very effective for enhanced adhesive and cohesive bonding. Based on the FEM results, the thermal boost-up zone, increased by thermally accelerated adiabatic shear instability, is proposed as a crucial factor for enhancing bonding between the particles, which is essential in producing better coating properties. Moreover, nanocrystal formation (<100 nm) in the coating was more pronounced than cases previously reported in the literature, mainly because of the enhanced thermal activation and straining of the severely deformed particles, which was verified by transmission electron microscopy investigations and nanoindentation tests.

  15. 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

  16. Thioether bond formation by SPASM domain radical SAM enzymes: Cα H-atom abstraction in subtilosin A biosynthesis.

    Science.gov (United States)

    Benjdia, Alhosna; Guillot, Alain; Lefranc, Benjamin; Vaudry, Hubert; Leprince, Jérôme; Berteau, Olivier

    2016-05-01

    AlbA is a radical SAM enzyme catalyzing the formation of three unusual thioether bonds in the antibiotic subtilosin A. We demonstrate here that AlbA catalyzes direct Cα H-atom abstraction and likely contains three essential [4Fe-4S] centers. This leads us to propose novel mechanistic perspectives for thioether bond catalysis by radical SAM enzymes. PMID:27087315

  17. 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..

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

    Science.gov (United States)

    Krylov, Igor B; Vil', Vera A; Terent'ev, Alexander O

    2015-01-01

    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(O2CR)2 reagents and generation of O-reagents in situ from C-reagents (methylarenes, aldehydes, etc.). PMID:25670997

  19. Hot pressing of B4C/SiC composites

    International Nuclear Information System (INIS)

    B4C/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 B4C/SiC composite samples were lower than monolithic B4C in all experimental conditions. (authors)

  20. 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.

  1. 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

  2. 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

  3. Bridging and bonding interactions in higher education: social capital and students’ academic and professional identity formation

    Science.gov (United States)

    Jensen, Dorthe H.; Jetten, Jolanda

    2015-01-01

    It is increasingly recognized that graduates’ achievements depend in important ways on their opportunities to develop an academic and a professional identity during their studies. Previous research has shown that students’ socio-economic status (SES) and social capital prior to entering university affects their ability to obtain these identities in higher education. However, what is less well understood is whether social capital that is built during university studies shapes identity development, and if so, whether the social capital gained during university years impacts on academic and professional identity differently. In a qualitative study, we interviewed 26 Danish and 11 Australian university students about their social interaction experiences, their opportunities to develop bonding capital as well as bridging capital, and their academic and professional identity. Findings show that while bonding social capital with co-students facilitated academic identity formation, such social capital does not lead to professional identity development. We also found that the development of bridging social capital with educators facilitated students’ professional identity formation. However, bonding social capital among students stood in the way of participating in bridging interaction with educators, thereby further hindering professional identity formation. Finally, while students’ parental background did not affect the perceived difficulty of forming professional identity, there was a tendency for students from lower SES backgrounds to be more likely to make internal attributions while those from higher SES backgrounds were more likely to make external attributions for the failure to develop professional identity. Results point to the importance of creating opportunities for social interaction with educators at university because this facilitates the generation of bridging social capital, which, in turn, is essential for students’ professional identity

  4. Bridging and bonding interactions in higher education: social capital and students' academic and professional identity formation.

    Science.gov (United States)

    Jensen, Dorthe H; Jetten, Jolanda

    2015-01-01

    It is increasingly recognized that graduates' achievements depend in important ways on their opportunities to develop an academic and a professional identity during their studies. Previous research has shown that students' socio-economic status (SES) and social capital prior to entering university affects their ability to obtain these identities in higher education. However, what is less well understood is whether social capital that is built during university studies shapes identity development, and if so, whether the social capital gained during university years impacts on academic and professional identity differently. In a qualitative study, we interviewed 26 Danish and 11 Australian university students about their social interaction experiences, their opportunities to develop bonding capital as well as bridging capital, and their academic and professional identity. Findings show that while bonding social capital with co-students facilitated academic identity formation, such social capital does not lead to professional identity development. We also found that the development of bridging social capital with educators facilitated students' professional identity formation. However, bonding social capital among students stood in the way of participating in bridging interaction with educators, thereby further hindering professional identity formation. Finally, while students' parental background did not affect the perceived difficulty of forming professional identity, there was a tendency for students from lower SES backgrounds to be more likely to make internal attributions while those from higher SES backgrounds were more likely to make external attributions for the failure to develop professional identity. Results point to the importance of creating opportunities for social interaction with educators at university because this facilitates the generation of bridging social capital, which, in turn, is essential for students' professional identity development. PMID

  5. 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.

  6. 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

  7. 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...

  8. 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.

  9. 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

  10. 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...

  11. 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.

  12. 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.

  13. Joining of SiC/SiCf ceramic matrix composites for fusion reactor blanket applications

    International Nuclear Information System (INIS)

    Using a preceramic polymer, joints between SiC/SiCf ceramic matrix composites were obtained. The polymer, upon pyrolysis at high temperature, transforms into a ceramic material and develops an adhesive bonding with the composite. The surface morphology of 2D and 3D SiC/SiCf composites did not allow satisfactory results to be obtained by a simple application of the method initially developed for monolithic SiC bodies, which employed the use of a pure silicone resin. Thus, active or inert fillers were mixed with the preceramic polymer, in order to reduce its volumetric shrinkage which occurs during pyrolysis. In particular, the joints realized using the silicone resin with Al-Si powder as reactive additive displayed remarkable shear strength (31.6 MPa maximum). Large standard deviation for the shear strength has nevertheless been measured. The proposed joining method is promising for the realization of fusion reactor blanket structures, even if presently the measured strength values are not fully satisfactory

  14. 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

  15. 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

  16. 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.

  17. 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)

  18. 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)

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. 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.

  7. 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.

  8. Formation of porous surface layers in reaction bonded silicon nitride during processing

    Science.gov (United States)

    Shaw, N. J.; Glasgow, T. K.

    1979-01-01

    Microstructural examination of reaction bonded silicon nitride (RBSN) has shown that there is often a region adjacent to the as-nitrided surfaces that is even more porous than the interior of this already quite porous material. Because this layer of large porosity is considered detrimental to both the strength and oxidation resistance of RBSN, a study was undertaken to determine if its formation could be prevented during processing. All test bars studied were made from a single batch of Si powder which was milled for 4 hours in heptane in a vibratory mill using high density alumina cylinders as the grinding media. After air drying the powder, bars were compacted in a single acting die and hydropressed.

  9. Nanoscale triboactivity of functionalized c-Si surfaces by Fe+ ion implantation

    Science.gov (United States)

    Nunes, B.; Alves, E.; Colaço, R.

    2016-04-01

    In the present work, we present a study of the effect of Fe+ ion implantation on the tribological response at nanoscale contact lengths of crystalline silicon (c-Si) surfaces. (1 0 0) silicon wafers were implanted with Fe+ at a fluence of 2  ×  1017 cm-2, followed by annealing treatments at temperatures of 800 °C and 1000 °C. After microstructural characterization, nanoabrasive wear tests were performed with an atomic force microscope (AFM) using an AFM diamond tip with a stiff steel cantilever that enables the application of loads between 1 μN and 8 μN. After the nanowear tests, the same AFM was used to visualize and measure the worn craters. It was observed that the as-implanted samples present the poorest nanowear response, i.e. the highest wear rate, even higher than that of the unimplanted Si wafers used as a reference. Nevertheless, annealing treatments result in a measurable increase in the nanowear resistance. In this way we show that Fe+ ion implantation of c-Si, followed by the proper post-heat treatment, results in the formation of FeSi2 nanoprecipitates finely dispersed in a recrystallized matrix. This can be a valuable way of optimizing the nanotribological behavior of silicon.

  10. 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

  11. 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

  12. 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.

  13. 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.)

  14. Nanopyramid structure for ultrathin c-Si tandem solar cells.

    Science.gov (United States)

    Li, Guijun; Li, He; Ho, Jacob Y L; Wong, Man; Kwok, Hoi Sing

    2014-05-14

    Recently, ultrathin crystalline silicon solar cells have gained tremendous interest because they are deemed to dramatically reduce material usage. However, the resulting conversion efficiency is still limited by the incomplete light absorption in such ultrathin devices. In this letter, we propose ultrathin a-Si/c-Si tandem solar cells with an efficient light trapping design, where a nanopyramid structure is introduced between the top and bottom cells. The superior light harvesting results in a 48% and 35% remarkable improvement of the short-circuit current density for the top and bottom cells, respectively. Meanwhile, the use of SiOx mixed-phase nanomaterial helps to provide the maximum light trapping without paying the price of reduced electrical performance, and conversion efficiencies of up to 13.3% have been achieved for the ultrathin tandem cell employing only 8 μm of silicon, which is 29% higher than the result obtained for the planar cell. PMID:24730470

  15. 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.

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

    International Nuclear Information System (INIS)

    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 2x1018 cm-2. After electron irradiation, two new EPR spectra with an effective spin S = 1, labeled L5 and L6, were observed. The L5 center has C3v symmetry with g = 2.004 and a fine-structure parameter D = 436.5x10-4 cm-1. The L5 spectrum was only detected under light illumination and it could not be detected after annealing at ∼5500C. The principal z-axis of the D tensor is parallel to the -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 C2v-symmetry with an isotropic g-value of g = 2.003 and the fine structure parameters D = 547.7x10-4 cm-1 and E = 56.2x10-4 cm-1. The L6 center disappeared after annealing at a rather low temperature (∼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

  17. 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.

  18. 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.

  19. 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.

  20. Heteroepitaxial growth of (111) 3C-SiC on (110) Si substrate by second order twins

    Science.gov (United States)

    Anzalone, R.; Bongiorno, C.; Severino, A.; D'Arrigo, G.; Abbondanza, G.; Foti, G.; La Via, F.

    2008-06-01

    Cubic (111)-oriented silicon carbide (3C-SiC) heteroepitaxy on (110) silicon substrate was performed by low pressure chemical vapor deposition. A comparison with the previous work by Nishiguchi et al. [Appl. Phy. Lett. 84, 3082 (2004)] shows that the relationship (110)Si∥(111) 3C-SiC could be misleading. Based on x-ray diffraction pole figures and numerical simulations, we prove that this relationship is due to the formation of second order twins during the initial stages of growth. This analysis also reveals that the crystal starts to grow with a misalignment of 3.5° along the ⟨002⟩ Si direction to adapt the mismatch of lattice parameters.

  1. 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

  2. MICROWAVE-ASSISTED CHEMISTRY: SYNTHESIS OF AMINES AND HETEROCYCLES VIA CARBON-NITROGEN BOND FORMATION IN AQUEOUS MEDIA

    Science.gov (United States)

    Improved C-N bond formation under MW influence is demonstrated by a) solventless three-component coupling reaction to generate propargyl amines that uses only Cu (I); b) aqueous N-alkylation of amines by alkyl halides that proceeds expeditiously in the presence of NaOH to deliver...

  3. Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space

    Czech Academy of Sciences Publication Activity Database

    Cooper, D.L.; Ponec, Robert

    2009-01-01

    Roč. 109, č. 11 (2009), s. 2383-2392. ISSN 0020-7608 R&D Projects: GA AV ČR IAA4072403 Institutional research plan: CEZ:AV0Z40720504 Keywords : momentum space * domain averaged fermi holes * bond formation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.315, year: 2009

  4. 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.

  5. 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.

  6. 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

  7. Ions colliding with clusters of fullerenes—Decay pathways and covalent bond formations

    International Nuclear Information System (INIS)

    We report experimental results for the ionization and fragmentation of weakly bound van der Waals clusters of n C60 molecules following collisions with Ar2+, He2+, and Xe20+ at laboratory kinetic energies of 13 keV, 22.5 keV, and 300 keV, respectively. Intact singly charged C60 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 [C60]n+→C60++(n−1)C60 evaporation model. Excitation energies in the range of only ∼0.7 eV per C60 molecule in a [C60]13+ 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 Ar2+ and He2+ collisions, we observe very efficient C119+ and C118+ formation and molecular dynamics simulations suggest that they are covalent dumb-bell systems due to bonding between C59+ or C58+ and C60 during cluster fragmentation. In the Ar2+ case, it is possible to form even smaller C120−2m+ molecules (m= 2–7), while no molecular fusion reactions are observed for the present Xe20+ collisions

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 3C-SiC/ZnS heterostructured nanospheres with high photocatalytic activity and enhancement mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J. [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Department of Physics, Huaiyin Institute of Technology, Huaian 223003 (China); Wu, X. L., E-mail: hkxlwu@nju.edu.cn, E-mail: paul.chu@cityu.edu.hk [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Department of Physics, NingBo University, NingBo 315001 (China); Liu, L. Z.; Yang, L.; Gan, Z. X. [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Chu, Paul K., E-mail: hkxlwu@nju.edu.cn, E-mail: paul.chu@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2015-03-15

    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.

  13. 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

  14. 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

  15. 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).

  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. 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

  18. 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

  19. 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.

  20. 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

  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. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. 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

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

    DEFF Research Database (Denmark)

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

    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...... resistance and current vs. temperature measurements. This suggests that the barrier is caused by inevitable dislocation networks due to wafer misorientation, as well as residual oxygen at the interface....

  10. 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

  11. 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

  12. Structural transformations in Fe-B-C-Si alloy vitrificated in the process of gaseous thermal coating

    International Nuclear Information System (INIS)

    The changes in structure and some physical properties of Fe-B-C-Si alloys during heating are studied. It is established that plasma sprayed alloy Fe69B15C84Si2 possesses mainly amorphous structure with α-Fe and Fe3(B, C) solid solution inclusions. Crystallic phase presence does not decrease stability of amorphous state. Amorphous structure decomposition proceeds in two stages - α-Fe precipitation and Fe3(B, C) formation through polymorphous crystallization. Alloy crystallization is accompanied by volume effects, electric conductivity jerks and nonmonotonic change in coercive force

  13. Single-step non-thermal plasma synthesis of 3C-SiC nanoparticles

    International Nuclear Information System (INIS)

    We present a scalable, single-step, non-thermal plasma synthesis technique for the growth of sub-5 nm, hydrogenated amorphous carbon (a-C:H) coated 3C-SiC nanoparticles (NPs). In a tubular flow reactor, we first nucleate and grow c-Si NPs upstream in a SiH4/Ar plasma. These c-Si NPs are then transported by gas flow to a downstream C2H2/Ar plasma, and carburized in-flight by carbon-containing radicals and ions to 3C-SiC NPs. X-ray diffraction and transmission electron microscopy indicate an NP size of ∼4 nm. X-ray photoelectron spectroscopy analysis confirms that the c-Si NPs are completely carburized to 3C-SiC. Fourier transform infrared spectroscopy shows that the surface of the 3C-SiC NPs is coated with a-C:H with some alkenyl termination, which can facilitate further solution-based surface functionalization for biomedical applications. (paper)

  14. Decoupled front/back dielectric textures for flat ultra-thin c-Si solar cells.

    Science.gov (United States)

    Isabella, Olindo; Vismara, Robin; Ingenito, Andrea; Rezaei, Nasim; Zeman, M

    2016-03-21

    The optical analysis of optically-textured and electrically-flat ultra-thin crystalline silicon (c-Si) slabs is presented. These slabs were endowed with decoupled front titanium-dioxide (TiO2) / back silicon-dioxide (SiO2) dielectric textures and were studied as function of two types of back reflectors: standard silver (Ag) and dielectric modulated distributed Bragg reflector (MDBR). The optical performance of such systems was compared to that of state-of-the-art flat c-Si slabs endowed with so-called front Mie resonators and to those of similar optical systems still endowed with the same back reflectors and decoupled front/back texturing but based on textured c-Si and dielectric coatings (front TiO2 and back SiO2). Our optimized front dielectric textured design on 2-µm thick flat c-Si slab with MDBR resulted in more photo-generated current density in c-Si with respect to the same optical system but featuring state-of-the-art Mie resonators ( + 6.4%), mainly due to an improved light in-coupling between 400 and 700 nm and light scattering between 700 and 1050 nm. On the other hand, the adoption of textured dielectric layers resulted in less photo-generated current density in c-Si up to -20.6% with respect to textured c-Si, depending on the type of back reflector taken into account. PMID:27136888

  15. 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)

  16. 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.

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

    OpenAIRE

    Hideto Miyabe

    2015-01-01

    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 t...

  18. Study on friction and wear behaviors of C/C-SiC under water lubrication

    International Nuclear Information System (INIS)

    C/C-SiC composites, prepared by a modified thermal gradient chemical vapor infiltration (preparing C/C) combined with reactive melt infiltration (infiltrating Si), were studied on the friction and wear behaviors in this paper. The results show that during block-on-ring tests under water lubrication, the friction coefficient and specific wear rate of C/C-SiC samples increase with increasing load, but decrease with increasing sliding velocity, and sliding velocity has a more influence on friction and wear behaviors than load. The C/C-SiC samples mainly subject to grain wear and fracture wear in the process of friction. (authors)

  19. 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

  20. Solar driven energy conversion applications based on 3C-SiC

    OpenAIRE

    Sun, Jianwu; Jokubavicius, Valdas; Gao, Lu; Booker, Ian; Jansson, Mattias; Liu, Xinyu; Hofmann, Jan P.; Hensen, Emiel J. M; Linnarsson, Margareta; Wellmann, Peter; Ramiro Gonzalez, Iñigo; Martí Vega, Antonio; Yakimova, Rositsa; Syväjärvi, Mikael

    2016-01-01

    There is a strong and growing worldwide research on exploring renewable energy resources. Solar energy is the most abundant, inexhaustible and clean energy source, but there are profound material challenges to capture, convert and store solar energy. In this work, we explore 3C-SiC as an attractive material towards solar-driven energy conversion applications: (i) Boron doped 3C-SiC as candidate for an intermediate band photovoltaic material, and (ii) 3C-SiC as a photoelectrode for solar-drive...

  1. A Study of a-Sic/C-Si(n) Isotype Heterojunctions

    OpenAIRE

    A. Thanailakis; L. Magafas; N. Georgoulas

    1993-01-01

    In the present work a study of the electrical properties of heterojunctions between rf sputtered amorphous silicon carbide (a-SiC) thin films and n-type crystalline silicon (c-Si) substrates is reported. The current-voltage (I-V) and capacitance-voltage (C-V) characteristics, as well as the temperature dependence of the current of a-SiC/c-Si(n) heterojunctions were measured. The I-V characteristics of a-SiC/ c-Si(n) heterojunctions exhibit poor rectification properties, with a high reverse cu...

  2. Preparation and oxidation protection of CVD SiC/a-BC/SiC coatings for 3D C/SiC composites

    International Nuclear Information System (INIS)

    An amorphous boron carbide (a-BC) coating was prepared by LPCVD process from BCl3-CH4-H2-Ar system. XPS result showed that the boron concentration was 15.0 at.%, and carbon was 82.0 at.%. One third of boron was distributed to a bonding with carbon and 37.0 at.% was dissolved in graphite lattice. A multiple-layered structure of CVD SiC/a-BC/SiC was coated on 3D C/SiC composites. Oxidation tests were conducted at 700, 1000, and 1200 deg. C in 14 vol.% H2O/8 vol.% O2/78 vol.% Ar atmosphere up to 100 h. The 3D C/SiC composites with the modified coating system had a good oxidation resistance. This resulted in the high strength retained ratio of the composites even after the oxidation.

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

    International Nuclear Information System (INIS)

    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)Se2 (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

  4. 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.

  5. Anatomy of Bond Formation. Insights from the DAFH Analysis in Momentum Space

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Cooper, D.L.

    -: -, 2009, Poster 33. ISBN N. [Central European Symposium on Theoretical Chemistry. Dobogókö (HU), 25.09.2009-28.09.2009] R&D Projects: GA ČR GA203/09/0118 Institutional research plan: CEZ:AV0Z40720504 Keywords : chemical bond * analysis of domain averaged fermi holes * momentum space Subject RIV: CC - Organic Chemistry

  6. 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

  7. 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.

  8. 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)

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

    DEFF Research Database (Denmark)

    Jokubavicius, V.; Sun, J.; Linnarsson, M. K.; Liljedahl, R.; Kaiser, M.; Wellmann, P.; Ou, Yiyu; Ou, Haiyan; Yakimova, R.; Syväjärvi, M.

    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......-SiC is not known. In this study we explore the growth of low and medium doped bulk-like 3C-SiC layers on off-oriented 6H-SiC substrates using a sublimation epitaxy technique. We compare SIMS, XRD and PL data obtained from 3C-SiC material grown using polycrystalline SiC sources prepared by CVD with a low...

  10. Microstructural and mechanical characterization of W/SiC bonding for structural material in fusion

    International Nuclear Information System (INIS)

    The SiC/SiC composites are expected to be employed as structural materials in fusion reactors after DEMO. Tungsten may be used as armor material of divertor to protect from the high temperature heat flux. An advanced SiC/SiC composite, NITE SiC/SiC, has excellent resistance to high stress and temperature, and diffusion and sinter bonding methods using high temperature are able to join SiC/SiC composites. This work evaluates the microstructure of interphases when tungsten is joined to SiC to screen potential bonding techniques. The W/SiC joints were produced by diffusion bonding, sinter bonding and liquid phase sinter bonding methods using the hot-pressing methods. Evaluation by SEM, EPMA, TEM and shear test showed the promise of these bonding methods.

  11. 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.

  12. Regularities in the formation of dislocation networks on the boundary of bonded Si(001) wafers

    International Nuclear Information System (INIS)

    The dislocation networks in structures with hydrophilically bonded Si (001) wafers are investigated by transmission electron microscopy. Networks with differing geometry and type of dominant dislocations are observed. One type of networks, which is typical of bonded structures, is formed on the basis of a square network of screw dislocations and contains a system of unidirectional 60° zigzag-shaped dislocations. It is established that such dislocation networks are flat in structures with an azimuthal misorientation of wafers exceeding 2°, whereas they are three-dimensional at smaller misorientation angles. A unique network of another type is formed only by 60° dislocations, the majority of which are extended along one direction, which does not coincide with the 〈110〉 directions in the boundary plane and has a number of specific features, the explanation of which is impossible within the framework of conventional representations.

  13. 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 ...

  14. Antisite defect centers in 3C-SiC produced by ion irradiation

    International Nuclear Information System (INIS)

    We have studied the ion-induced defects in a semiconductor (3C-SiC) using an empirical molecular dynamics calculation at temperature below 2000 K. The structures of produced defects were analysed by the Pixel Mapping method, focusing on the antisite related defects. In addition to the DI center that had been ascribed to be due to single antisite pair (CSi-SiC) aligning in directions, we observed antisite clusters composed of 3-5 antisites. As a model cluster, SiC(CSi)4 had been predicted by quasistatic calculation, which was consistent with the lower formation energy of CSi than SiC. This implied inversely SiC and CSi(SiC)4 can be more stable if once they were formed under energetic ion impacts. In fact, we observed a clear trend of growth of CSi(SiC)n approaching to CSi(SiC)4 under 5 keV boron impacts above annealing temperature

  15. 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.

  16. 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; Felby, Claus

    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 of...... ether linkages between lignin and titanium coupling agent. In the present work, changes were found in the attenuated total reflectance-Fourier transform IR (ATR-FTIR) spectra of lignin and wood mixed with silane, and titanium coupling agents, and to a lesser extent for a zirconium coupling agent. This...

  17. 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 ...

  18. Concurrent Formation of Carbon-Carbon Bonds and Functionalized Graphene by Oxidative Carbon-Hydrogen Coupling Reaction.

    Science.gov (United States)

    Morioku, Kumika; Morimoto, Naoki; Takeuchi, Yasuo; Nishina, Yuta

    2016-01-01

    Oxidative C-H coupling reactions were conducted using graphene oxide (GO) as an oxidant. GO showed high selectivity compared with commonly used oxidants such as (diacetoxyiodo) benzene and 2,3-dichloro-5,6-dicyano-p-benzoquinone. A mechanistic study revealed that radical species contributed to the reaction. After the oxidative coupling reaction, GO was reduced to form a material that shows electron conductivity and high specific capacitance. Therefore, this system could concurrently achieve two important reactions: C-C bond formation via C-H transformation and production of functionalized graphene. PMID:27181191

  19. 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.

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

    OpenAIRE

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

    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 of ether linkages between lignin and titanium coupling agent. In the present work, changes were found in the attenuated total reflectance-Fourier transform IR (ATR-FTIR) spectra of lignin and wood mixed ...

  1. 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

  2. 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.

  3. Helium gas permeability of low activation SiC/SiC composite

    International Nuclear Information System (INIS)

    Permeability of helium gas in SiC fiber reinforced SiC composite (SiC/SiC composite) was measured by using a vacuum apparatus consisting two chambers. The SiC/SiC samples were prepared by different methods; polymer infiltration and pyrolysis (PIP), PIP and melt impregnation (MI), hot pressing (HP) and liquid phase sintering (LPS). The measurement of permeability was carried out with pressure of helium ranging from 102 to 105 Pa at room temperature. The permeability of the sample made by LPS method was several orders of magnitude lower than those of the other SiC/SiC composites. The lowest permeability, 4 x 10-11 m2s-1, was observed for the SiC/SiC composite made by LPS using SiC fibers and nano powder of β-SiC. The largest permeability, 5 x 10-5 m2s-1, was observed for the SiC/SiC composite made by PIP. The permeability of the SiC/SiC composite depended on the structures of fiber bundle and matrix, and roughly corresponded to the microscopic structures, i.e. pores and cracks. (author)

  4. Gas permeability of SiC/SiC composites as fusion reactor material

    International Nuclear Information System (INIS)

    Permeability of helium gas in SiC/SiC composites material, which is one of the most important properties in application of SiC/SiC composite for first wall and blanket of fusion reactors, was studied by using a vacuum apparatus. Three tubular and two flat plate SiC/SiC composites were prepared by different preparation processes. The measurement of permeability coefficient of helium gas was carried out with pressure ranging from 102 to 105 Pa at room temperature. The permeability coefficient of the SiC/SiC composite largely depended on the preparation method. In three tubular materials, the SiC/SiC composite made by both polymer impregnation and pyrolysis (PIP) and melt infiltration (MI) methods showed the lowest permeability, 9.1x10-7 m2/s, which was approximately two orders of magnitude smaller than one of the material made only by PIP method. The permeability of the flat plate SiC/SiC composites made by both liquid phase sintering (LPS) and hot pressing (HP) was approximately 1.5x10-9-4.0x10-11 m2/s. The difference of permeability was related to the microscopic structure, i.e. pores and cracks

  5. 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.

  6. 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

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. Alternative pathways of disulfide bond formation yield secretion-competent, stable and functional immunoglobulins

    OpenAIRE

    Elkabetz, Yechiel; Ofir, Ayala; Argon, Yair; Bar-Nun, Shoshana

    2008-01-01

    Disulfide bonds within and between proteins are responsible for stabilizing folding and covalent assembly. They are thought to form by an obligatory pathway that leads to a single native structure compatible with secretion. We have previously demonstrated that the intradomain disulfide in the CH1 domain of the Ig γ2b heavy chains was dispensable for secretion (Elkabetz et al., 2005). Here we show that the heavy chain-light chain interchain disulfide is also dispensable. γ2b with mutated Cys12...

  12. 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.)

  13. 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.)

  14. Facile thermal explosion synthesis and optical properties of Al-doped flatted 3C-SiC microcrystals with 4H-SiC quantum interlayers

    International Nuclear Information System (INIS)

    Highlights: ► High-quality Al-doped flatted 3C-SiC microcrystals were in situ synthesized by a facile thermal explosion synthesis (TES) method. ► Structural and optical analysis reveals that one dimensional (1D) disordered regions, which structurally resemble wide band-gap 4H-SiC nano-interlays, are acquired and sandwiched in the 3C-SiC microcrystal matrix via Al doping. ► A new intensive, sharp ultraviolet (UV) photoluminescence is observed from the Al-doped flatted 3C-SiC microcrystals and the emission mechanism is discussed in terms of spontaneous polarization at the stacking faults. - Abstract: A facile thermal explosion synthesis (TES) method is developed to in situ synthesize batches of high-quality Al-doped flatted 3C-SiC microcrystals. Structural and optical analysis reveals that one dimensional (1D) disordered regions, which structurally resemble wide band-gap 4H-SiC nano-interlays, are acquired and sandwiched in the 3C-SiC microcrystal matrix via Al doping. High-resolution transmission electron microscopy (HRTEM) studies demonstrate that both atomic arrangements with growth predominantly in the 〈1 1 1〉 direction and planar structural defects coexist in the Al-doped flatted 3C-SiC microcrystals. A stacking sequence model is adopted to explain the formation mechanism of 4H-SiC nano-interlayers induced via Al doping. The photoluminescence (PL) spectra analysis shows that a new intensive, sharp ultraviolet (UV) emission (3.5 eV) was observed for the flatted 3C-SiC microcrystal, except for a blue emission (3.1 eV) derived from the surface defects. It is speculated that the quantum confined effect induced by quantum barrier structures is responsible for the new sharp UV emission. This comprises the first report of using a TES method for the synthesis of flatted Al-doped SiC microcrystals. The present method suggests a unique technique for synthesizing quantum barrier structures in SiC microcrystal matrix, which could be extended to other doping

  15. 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.

  16. Alcohol and group formation: a multimodal investigation of the effects of alcohol on emotion and social bonding.

    Science.gov (United States)

    Sayette, Michael A; Creswell, Kasey G; Dimoff, John D; Fairbairn, Catharine E; Cohn, Jeffrey F; Heckman, Bryan W; Kirchner, Thomas R; Levine, John M; Moreland, Richard L

    2012-08-01

    We integrated research on emotion and on small groups to address a fundamental and enduring question facing alcohol researchers: What are the specific mechanisms that underlie the reinforcing effects of drinking? In one of the largest alcohol-administration studies yet conducted, we employed a novel group-formation paradigm to evaluate the socioemotional effects of alcohol. Seven hundred twenty social drinkers (360 male, 360 female) were assembled into groups of 3 unacquainted persons each and given a moderate dose of an alcoholic, placebo, or control beverage, which they consumed over 36 min. These groups' social interactions were video recorded, and the duration and sequence of interaction partners' facial and speech behaviors were systematically coded (e.g., using the facial action coding system). Alcohol consumption enhanced individual- and group-level behaviors associated with positive affect, reduced individual-level behaviors associated with negative affect, and elevated self-reported bonding. Our results indicate that alcohol facilitates bonding during group formation. Assessing nonverbal responses in social contexts offers new directions for evaluating the effects of alcohol. PMID:22760882

  17. 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.

  18. 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

  19. A protocol for amide bond formation with electron deficient amines and sterically hindered substrates

    DEFF Research Database (Denmark)

    Due-Hansen, Maria E; Pandey, Sunil K; Christiansen, Elisabeth; Andersen, Rikke; Hansen, Steffen V F; Ulven, Trond

    2016-01-01

    A protocol for amide coupling by in situ formation of acyl fluorides and reaction with amines at elevated temperature has been developed and found to be efficient for coupling of sterically hindered substrates and electron deficient amines where standard methods failed.......A protocol for amide coupling by in situ formation of acyl fluorides and reaction with amines at elevated temperature has been developed and found to be efficient for coupling of sterically hindered substrates and electron deficient amines where standard methods failed....

  20. Formation of sulfido niobium complexes through C-S bond activation

    International Nuclear Information System (INIS)

    Upon reacting η5-C5H5)2 Nb CL2, η5-C5H5 = Cp, and (Ph)3 Sn (S Ph), in THF, (η5- C5H5)2 Nb (Cl) (μ-S) Sn (Ph)3 (Cl), 1, and (η5-C5 H5)2 Nb (S) Cl, 2, were obtained. Complexes 1 and 2 were characterized by IR, 1H-NMR, 13 C-NMR, Moessbauer spectroscopies, elemental analysis as well as by atomic absorption. Hydrolysis of 1 yielded the μ-oxo species, (η5-C5 H5)2 Nb (Cl) (μ-O) Sn (Ph)3 Cl, 3, which was characterized by IR, 1H-NMR, 13 C-NMR and Moessbauer spectroscopies, elemental analysis, atomic absorption as well as by X-ray crystallography. It crystallizes in the space group Pca21 with a= 17.282(3), b = 18.122(4), c 17.3269(2), V = 5426.2(16) angstrom3, and Z= 8. Additional studies indicated that the complexes were formed as a result of the nucleophilic displacement of the niobium-chloride bond by the thiolate ligand followed by a C-S bond cleavage. The cleavage occurs with an excess of the thiolate compound equal to or greater than 2:1. (author)

  1. Modeling Creep Effects within SiC/SiC Turbine Components

    Science.gov (United States)

    DiCarlo, J. A.; Lang, J.

    2008-01-01

    Anticipating the implementation of advanced SiC/SiC ceramic composites into the hot section components of future gas turbine 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 select and manipulate constituent materials, processes, and geometries in order to minimize these effects. In initial studies aimed at SiC/SiC components experiencing through-thickness stress gradients, creep models were developed that allowed an understanding of detrimental residual stress effects that can develop globally within the component walls. It was assumed that the SiC/SiC composites behaved as isotropic visco-elastic materials with temperature-dependent creep behavior as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The creep models and their key results are discussed assuming state-of-the-art SiC/SiC materials within a simple cylindrical thin-walled tubular structure, which is currently being employed to model creep-related effects for turbine airfoil leading edges subjected to through-thickness thermal stress gradients. Improvements in the creep models are also presented which focus on constituent behavior with more realistic 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.

  2. 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.

  3. Atomic and Electronic-Band Structures of Anomalous Carbon Dimers on 3C-SiC (001)-c(2 [times] 2)

    Energy Technology Data Exchange (ETDEWEB)

    Yeom, H.W. (Research Center for Spectrochemistry, the University of Tokyo, Tokyo 113 (Japan)); Shimomura, M.; Kono, S. (Research Institute for Scientific Measurements, Tohoku University, Sendai 980-77 (Japan)); Kitamura, J.; Hara, S.; Yoshida, S.; Okushi, H.; Kajimura, K. (Electrotechnical Laboratory, Tsukuba, Ibaraki 305 (Japan)); Tono, K.; Matsuda, I.; Ohta, T. (Department of Chemistry, the University of Tokyo, Tokyo 113 (Japan)); Mun, B.S.; Mun, B.S.; Fadley, C.S.; Fadley, C.S. (Department of Physics, University of California at Davis, Davis, California 95616 (United States)); Huff, W.A. (KLA-Tencor, Milpitas, California 95035) (Department of Physics, Gifu University, Gifu, Gifu 501-1193 (Japan))

    1999-08-01

    The atomic structure of the c(2[times]2) reconstruction of the C -terminated 3C-SiC(001) surface was unambiguously determined by scanning tunneling microscopy and surface-core-level-resolved photoelectron diffraction studies. This surface is found to uniquely and uniformly consist of anomalous bridge-bonded C dimers with a C-C bond length of 1.22thinspthinsp[Angstrom]. Furthermore, an extensive angle-resolved photoemission study clearly identifies two occupied [pi] state bands due to the surface-normal and -parallel [pi] orbitals of the [ital triple-bonded] C dimers. This provides an electronic explanation of the stability of this unique surface reconstruction. [copyright] [ital 1999] [ital The American Physical Society

  4. Mechanistic insight into benzenethiol catalyzed amide bond formations from thioesters and primary amines

    DEFF Research Database (Denmark)

    Stuhr-Hansen, Nicolai; Bork, Nicolai; Strømgaard, Kristian

    2014-01-01

    The influence of arylthiols on cysteine-free ligation, i.e. the reaction between an alkyl thioester and a primary amine forming an amide bond, was studied in a polar aprotic solvent. We reacted the ethylthioester of hippuric acid with cyclohexylamine in the absence or presence of various quantities...... state in the aromatic thioester amidation reaction. Under similar conditions, cysteine-free ligation was achieved by coupling a fully side-chain protected 15 amino acid phosphopeptide thioester to the free N-terminal of a side-chain protected 9 amino acid peptide producing the corresponding 24 amino...... of thiophenol (PhSH) in a slurry of disodium hydrogen phosphate in dry DMF. Quantitative conversions into the resulting amide were observed within a few hours in the presence of equimolar amounts of thiophenol. Ab initio calculations showed that the reaction mechanism in DMF is similar to the well...

  5. 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.

  6. Splitting and/or Formation of Chemical Bonds. Insights from Momentum Space

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Cooper, D.L.

    Prague : IOCHB ASCR, v.v.i, 2011, s. 1. ISBN N. [JCS Symposium on Theoretical Chemistry 2011 /4./. Liblice (CZ), 18.05.2011-20.05.2011] R&D Projects: GA ČR GA203/09/0118 Institutional research plan: CEZ:AV0Z40720504 Keywords : domain averaged fermi holes * momentum space * chemical bonding Subject RIV: CF - Physical ; Theoretical Chemistry http://www. google .cz/search?q=www.jh-inst.cas.cz%2Ftchem%2Fjcs-2011&rls=com.microsoft:cs:IE-Address&ie=UTF-8&oe=UTF-8&sourceid=ie7&rlz=1I7PRFA_cs&redir_esc=&ei=wqLfTa-cFseUOomzmY8K

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. Friction and wear behaviors of C/C-SiC under water lubrication

    International Nuclear Information System (INIS)

    C/C-SiC composites,prepared by a modified thermal gradient chemical vapor infiltration (preparing C/C) combined with reactive melt infiltration (infiltrating Si), were studied for the friction and wear behaviors in this paper. The results show that during block-on-ring tests under water lubrication, the friction coefficient and specific wear rate of C/C-SiC samples increase with the increasing of load, but decrease with the increasing of sliding velocity,and the sliding velocity is with greater effect on the friction and wear behaviors than the load does. The C/C-SiC samples mainly subject to the grain wear and fracture wear in the process of friction. (authors)

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

    International Nuclear Information System (INIS)

    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 O2 concentrations greater than about 1 ppm. No measureable mass change was observed for multilayer and porous SiC interfaces at 800-1100 degrees C and O2 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

  17. 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.

  18. 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.

  19. 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)

  20. Development of SiC/SiC composite for fusion application

    International Nuclear Information System (INIS)

    The recent efforts to develop SiC/SiC composite materials for fusion application under the collaboration with Japan and the USA are provided, where material performance with and without radiation damage has been greatly improved. One of the accomplishments is development of the high performance reaction sintering process. Mechanical and thermal conductivity are improved extensively by process modification and optimization with inexpensive fabrication process. The major efforts to make SiC matrix by CVI, PIP and RS methods are introduced together with the representing baseline properties. The resent results on mechanical properties of SiC/SiC under neutron irradiation are quite positive. The composites with new SiC fibers, Hi-Nicalon Type-S, did not exhibit mechanical property degradation up to 10 dpa. Based on the materials data recently obtained, a very preliminary design window is provided and the future prospects of SiC/SiC technology integration is provided. (author)

  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. PMID:16010993

  2. 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.

  3. 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.

  4. In-situ observation of crack propagation in SiC/SiC by HVEM

    International Nuclear Information System (INIS)

    Full text of publication follows: SiC/SiC composites are candidate materials for fusion applications due to their potential to retain strength and exhibit tough behavior at elevated temperatures. The irradiation stability of monolithic beta-SiC has been well studied and the mechanical property evaluation of SiC/SiC composites has been started under the standard test method of Continuous Fiber reinforced Ceramic Composites (CFCC's). It is important to know the initiation, coalescence and growth of crack in SiC/SiC composites. However there are no good tests for measuring the crack propagation at fracture of SiC/SiC composites than before. After mechanical testing, microstructure analysis of fracture region in SiC/SiC composites by Focused Ion Beam (FIB) was done, though the artifact during TEM specimen preparation would be introduced sometime. Recently we successfully developed a piezo driven nano indenting equipment for observation of crack propagation in SiC/SiC under the irradiation by High Voltage Electron Microscope (HVEM). Preliminary result of in-situ observation of shear crack propagation at the interface between SiC fiber and SiC matrix by HVEM shows a good agreement with the result of out situ experiment by using the cross section TEM specimen at the shear fracture interface between SiC fiber and SiC matrix prepared by FIB after the fiber pushing out testing by the nano indenter. The shear crack initiated and propagated at the interface between SiC matrix and carbon coated layer on the SiC fiber. Results of in-situ observation of crack propagation at W and SiC joining interface will be also presented. (authors)

  5. 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.

  6. Helium Gas Permeability of SiC/SiC Composite Developed for Blanket Component

    International Nuclear Information System (INIS)

    To employ SiC/SiC composite as blanket components of a fusion reactor, permeation behavior of helium gas has to be investigated since the helium is used as the coolant. For this purpose, a vacuum system consisting of upstream and downstream chambers was fabricated for the measurement of permeability, and the permeability was measured for several SiC/SiC composite materials recently developed. For the pressure range from 102 to 105 Pa in the upstream chamber, the pressure rise due to the permeation of helium in the downstream chamber linearly increased with the pressure of the upstream chamber. Then, the permeability was roughly constant for the pressure range of the upstream chamber.The permeabilities of SiC/SiC composites produced by polymer impregnation and pyrolysis (PIP), hot pressing (HP) and melt-infiltration-finished PIP were 5 x 10-5, 4 x 10-6, and 9 x 10-7 m2/s, respectively. In the matrix structure of the SiC/SiC composite made by the PIP method with a high permeability, cracking in the matrix and pores of micron size were observed. Compared to these materials, SiC/SiC composites produced by liquid phase sintering using submicron or nanopowder of β-SiC and the HP method had extremely low permeabilities. The permeability of the SiC/SiC composite made by using submicron or nanopowder of β-SiC became 1.5 x 10-9 or 4 x 10-11 m2/s.Based upon the present data, the helium gas flow was analyzed for a blanket module consisting of only SiC/SiC composite. If a vacuum pump is attached to the module, the helium leak into a plasma can be ignored, compared to the heliums produced by fusion reactions. Hence, the entire module can be made by only SiC/SiC composite, from a viewpoint of helium permeation

  7. 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}.

  8. Three-dimensional analysis of SiC/SiC composite structures for fusion reactors

    International Nuclear Information System (INIS)

    The structural analysis of a SiC/SiC composite first wall in a tokamak fusion reactor is explored using the finite element method. The analysis is done in three dimensions under thermal and pressure loads. The effect of the three-dimensional analysis on the results is compared with that for the two-dimensional analysis. The comparison indicates that for laminated SiC/SiC composite structures, the two-dimensional analysis, which ignores the effect of the stacking sequence of the laminate and the effect of the interlaminar shear stress, is insufficient for reactor design. 9 refs., 14 refs., 2 tabs

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

    International Nuclear Information System (INIS)

    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 mm3

  10. 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%.

  11. On the formation and bonding of a surface carbonate on Ni(100)

    Science.gov (United States)

    Behm, R. J.; Brundle, C. R.

    1991-09-01

    The formation, stability, adsorption geometry and electronic structure of a surface carbonate on Ni(100) have been investigated by photoemission (XPS, UPS) and temperature-programmed reaction (TPR). The core level binding energies of 531.2 eV for 0(1s) and 289.0 eV for C(1s) are comparable to those of bulk carbonates. The He(II) spectrum of the carbonate valence levels is not well defined because of the coexisting adsorbed and oxidic oxygen. The angular dependence of the carbonate core level intensities is characteristic of the carbonate being present as an overlayer species rather than a thicker surface phase. The XPS data and isotope labelled TPR experiments indicate the oxygen atoms of the carbonate to be electronically and chemically equivalent, and on this basis we favor a structure in which the carbonate is attached to the metal via all three oxygen atoms. This is supported by comparision with the core level binding energies of HCOO ab and chemisorbed CO 2,ad, which are similarly attached to the surface. From the core level angular behavior, the close similarity of core level binding energies and available vibrational spectroscopic data, a (nearly) planar geometry of the CO 3,ad on Ni(100) is concluded, which is comparable to the planar bulk carbonate anion and the planar carbonate species on Ag(110). The activation barrier for decomposition is estimated from the observed maximum in TPR at 420 K to be 25 ± 2 kcal/mol. CO 2 does not accumulate on the clean or O ad-precovered Ni(100) surface at 130 K. The stabilized, chemisorbed CO 2,ad species often observed on other metal surfaces therefore does not play a critical role for carbonate formation on Ni(100). Also a mechanism involving the disproportionation of a CO 2… CO 2,ad- dimer anion can be ruled out from TPR data. The evidence of the experiments discussed in this paper suggests that the carbonate is predominantly formed by reaction of CO 2,ad with a less stable, defect (disordered) O ad species rather

  12. 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

  13. 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.

  14. 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.

  15. 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).

  16. Theoretical prediction of the structural and electronic properties of pseudocubic X3As4 (X=C, Si, Ge and Sn) compounds

    International Nuclear Information System (INIS)

    The structural and electronic properties of X3As4 (X=C, Si, Ge and Sn) compounds were investigated using density functional theory (DFT) calculations. We employed both the generalized-gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total energy and the Engel-Vosko (EV-GGA) formalism, which optimizes the corresponding potential for band structure calculations. The calculated lattice constant, bulk modulus and electronic band structure of pseudocubic X3As4 (X=C, Si, Ge and Sn) compounds are in good agreement with other theoretical results. The analysis shows that the hardest material is C3As4 compound with a bulk modulus B0=106.5 GPa, while Si3As4, Ge3As4 and Sn3As4 have almost the same bulk modulus ranging from 51 to 68.5 GPa. Also we have presented the results of cohesive energies and we have given a detail discussion of the bond lengths and bond angles in the pseudocubic phase of group IV arsenides. Furthermore, band structure and density of states calculations show that Si3As4, Ge3As4 and Sn3As4 exhibit a semiconductor behavior with indirect gaps while C3As4 exhibit a metallic behavior using both GGA and EV-GGA.

  17. Physical aspects of a-Si:H/c-Si hetero-junction solar cells

    International Nuclear Information System (INIS)

    We report on the basic properties of amorphous/crystalline hetero-junctions (a-Si:H/c-Si), their effects on the recombination of excess carriers and its influence on the a-Si:H/c-Si hetero-junction solar cells. For that purpose we measured the gap state density distribution of thin a-Si:H layers and determined its dependence on deposition temperature and doping by an improved version of near-UV-photoelectron spectroscopy. Furthermore, the Fermi level position in the a-Si:H and the valence band offset were directly measured. In combination with interface sensitive methods such as surface photovoltage analysis and our numerical simulation program AFORS-HET, we found an optimum in wafer pretreatment, doping and deposition temperature for efficient a-Si:H/c-Si solar cells without an i-type a-Si:H buffer layer. We reached at maximum 19.8% certified efficiency by a deposition at 210 deg. C with an emitter doping of 2000 ppm of B2H6 on a well cleaned pyramidally structured c-Si(n) wafer

  18. 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 ...

  19. 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.

  20. 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.

  1. 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

    The need of higher energy efficiency in hydrogen production has promoted the research on improved catalysts for water electrolysis. In this work, a novel supported catalyst for oxygen evolution electrodes was prepared and characterized with different techniques. IrO2 supported on a SiC/Si composi...

  2. Heteroepitaxial 3C-SiC on Si with Various Carbonization Process Conditions

    Science.gov (United States)

    Kim, Byeung C.; Coy, John; Kim, Sangho; Capano, Michael A.

    2009-04-01

    The surface morphology and crystallinity of cubic silicon carbide (3C-SiC) films are the most important factors to affect performance of 3C-SiC-based electronic devices. This article presents the effect of carbonization condition, such as the process temperature and the source gas flow rate, on the surface roughness and crystalline quality of heteroepitaxial 3C-SiC films grown on Si(001) substrates. Morphological analysis using scanning electron microscopy (SEM), optical microscopy, and atomic force microscopy (AFM) reveals that decreasing the carbon-based precursor gas-on temperature from 1100°C to 700°C after in situ cleaning significantly improves the surface morphology of subsequent 3C-SiC films. Also, decreasing the carbonization temperature from 1250°C to 1150°C reduces the protrusion defect density from >400/mm2 to gas flow rates of 3 sccm and 15 sccm during carbonization, using x-ray diffractometry and scanning probe microscopy, indicates little influence on crystalline quality as flow rate changes.

  3. 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

  4. 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.

  5. Structural investigation of nC-Si/SiOx:H thin films from He diluted (SiH4 + CO2) plasma at low temperature

    Science.gov (United States)

    Samanta, Arup; Das, Debajyoti

    2012-10-01

    Detail structural characterizations of the nC-Si/SiOx:H films prepared from low temperature (300 °C) SiH4 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/SiOx:H structure, activated by chemical reactions occurring in the He diluted (SiH4 + CO2) plasma has been investigated.

  6. 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.

  7. 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.)

  8. Elevated Temperature Properties of Commercially Available NITE-SiC/SiC Composites

    International Nuclear Information System (INIS)

    Full text of publication follows: Continuous fiber-reinforced ceramic matrix composites (CMCs) have been expected as a new type of material having high fracture resistance up to a high temperature. In recent years, there have been extensive efforts in our research group to develop high performance SiC/SiC composites for energy applications, where improvements in mechanical properties and damage resistance by innovative new fabrication process with emphasis on interface improvement have been greatly accomplished. One of the most outstanding accomplishments is the Nano-powder Infiltration and Transient Eutectic (NITE) process using PyC coated Tyranno-SA fibers. For making SiC/SiC composites more attractive and competitive for high temperature structural components and for other industrial applications, one of the key issues is to demonstrate its reliability and safety under severe environments. Also to demonstrate the potential to produce SiC/SiC by NITE process from large scale production line at industries is very important. This paper provides fundamental database of mechanical properties and microstructure of Cera-NITE, the trade name of NITE-SiC/SiC composites. The mechanical properties were evaluated by uni-axial tensile test from room temperature to high temperatures. The tensile properties, including elastic modulus, PLS and ultimate tensile strength, are superior to those of other conventional SiC/SiC composites. The macroscopic observation of Cera-NITE indicated high density as planned with almost no-porosity and cracks. Furthermore, Cera-NITE showed outstanding microstructural uniformity. The characteristic variation coming from the sampling location was hardly observed.. Further information about database of properties and microstructure at evaluated temperature will be provided. (authors)

  9. The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas

    Directory of Open Access Journals (Sweden)

    Jones Charlotte ES

    2007-09-01

    Full Text Available Abstract Intramolecular carbonyl ene reactions of highly activated enophiles can be catalysed by H-bonding thio-ureas to give tertiary alcohols in high yields without extensive isomerisation side products. An asymmetric variant of this reaction was realised using a chiral thiourea but was limited by low enantioselectivity (up to 33% e.e. and low turnover frequencies.

  10. Possible evidence of amide bond formation between sinapinic acid and lysine-containing bacterial proteins by matrix-assisted laser desorption/ionization (MALDI) at 355 nm

    Science.gov (United States)

    We previously reported the apparent formation of matrix adducts of 3,5-dimethoxy-4-hydroxy-cinnamic acid (sinapinic acid or SA) via covalent attachment to disulfide bond-containing proteins (HdeA, HdeB and YbgS) from bacterial cell lysates ionized by matrix-assisted laser desorption/ionization (MALD...

  11. 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, ...

  12. 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.

  13. 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.

  14. 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

  15. Ab-initio modeling of oxygen on the surface passivation of 3C-SiC nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Cuevas, J.L.; Trejo, A.; Calvino, M.; Carvajal, E. [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, 04430, D.F. (Mexico); Cruz-Irisson, M., E-mail: irisson@ipn.mx [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, 04430, D.F. (Mexico)

    2012-08-15

    In this work the effect of OH on the electronic states of H-passivated 3C-SiC nanostructures, was studied by means of Density Functional Theory. We compare the electronic band structure for a [1 1 1]-oriented nanowire with total H, OH passivation and a combination of both. Also the electronic states of a porous silicon carbide case (PSiC) a C-rich pore surface in which the dangling bonds on the surface are saturated with H and OH was studied. The calculations show that the surface replacement of H with OH radicals is always energetically favorable and more stable. In all cases the OH passivation produced a similar effect than the H passivation, with electronic band gap of lower energy value than the H-terminated phase. When the OH groups are attached to C atoms, the band gap feature is changed from direct to indirect. The results indicate the possibility of band gap engineering on SiC nanostructures through the surface passivation species.

  16. 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. PMID:27158901

  17. Role of covalent Fe-As bonding in the magnetic moment formation and exchange mechanisms in iron-pnictide superconductors

    OpenAIRE

    Belashchenko, K. D.; Antropov, V. P.

    2008-01-01

    The electronic origin of the huge magnetostructural effect in layered Fe-As compounds is elucidated using LiFeAs as a prototype. The crucial feature of these materials is the strong covalent bonding between Fe and As, which tends to suppress the exchange splitting. The bonding-antibonding splitting is very sensitive to the distance between Fe and As nuclei. We argue that the fragile interplay between bonding and magnetism is universal for this family of compounds. The exchange interaction is ...

  18. 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)

  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. Incubation time for sub-critical crack propagation in SiC-SiC composites

    Energy Technology Data Exchange (ETDEWEB)

    El-Azab, A.; Ghoniem, N.M. [Univ. of California, Los Angeles, CA (United States)

    1995-04-01

    The objective of this work is to investigate the time for sub-critical crack propagation is SiC-SiC composites at high temperatures. The effects of fiber thermal creep on the relaxation of crack bridging tractions in SiC-SiC ceramic matrix composites (CMCs) is considered in the present work, with the objective of studying the time-to propagation of sub-critical matrix cracks in this material at high temperatures. Under the condition of fiber stress relaxation in the bridiging zone, it is found that the crack opening and the stress intensity factor increase with time for sub-critical matrix cracks. The time elapsed before the stress intensity reaches the critical value for crack propagation is calculated as a function of the initial crack length, applied stress and temperature. Stability domains for matrix cracks are defined, which provide guidelines for conducting high-temperature crack propagation experiments.

  1. 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

  2. Crack initiation and growth characteristics in SiC/SiC under indentation test

    International Nuclear Information System (INIS)

    The mechanical behavior of ceramic matrix composites (CMC) is known to be strongly influenced by fiber-matrix interfacial properties and there have been many efforts to clarify the interfacial characteristics. To understand the fracture mechanism of the materials it is necessary to clarify how the cracks initiate and propagate among fibers, interphase (coating) and matrix. The objective of this study is to investigate crack initiation and growth characteristics in SiC/SiC composites with variations in coating thickness and coating methods by means of micro-indentation technique. Micro-indentation tests and hardness tests were carried out on SiC/SiC composites produced by the chemical vapour infiltration (CVI) process. The intrinsic catastrophic mode of failure of the brittle composite was prevented by application of single carbon and multiple coatings on fibers. Thinner coatings are sensitive to make fibers debonded and may improve the toughness of the composites. (orig.)

  3. Optimization of laser fired contact processes in c-Si solar cells

    Science.gov (United States)

    Sánchez-Aniorte, I.; Colina, M.; Perales, F.; Molpeceres, C.

    In this work, we study the optimization of aluminium laser-fired contacts (LFC) [1] in combination with c-Si passivated solar cell [2,3]. The samples consist in p-type Fz c-Si wafers with two different passivating configurations; both thermally-grown silicon oxide (SiO2) and plasma deposited silicon carbide (SiCx) were used as the passivating rear layer. Finally, a 2 μ m Aluminum layer was deposited at the front and rear surface. A nanosecond Nd:YAG laser operating at 532 nm was used to fire the aluminum locally through the thin passivating layer. Green lasers offer the possibility to obtain a selective removal of the passivating layer, since the underlying silicon results typically less affected than when using IR radiation. Morphological and electrical analysis permitted to identify the optimal laser parameters to achieve good ohmic contacts and to reduce the laser-damaged area.

  4. 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)

  5. 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.

  6. Characterization of SiC-SiC composites for accident tolerant fuel cladding

    Science.gov (United States)

    Deck, C. P.; Jacobsen, G. M.; Sheeder, J.; Gutierrez, O.; Zhang, J.; Stone, J.; Khalifa, H. E.; Back, C. A.

    2015-11-01

    Silicon carbide (SiC) is being investigated for accident tolerant fuel cladding applications due to its high temperature strength, exceptional stability under irradiation, and reduced oxidation compared to Zircaloy under accident conditions. An engineered cladding design combining monolithic SiC and SiC-SiC composite layers could offer a tough, hermetic structure to provide improved performance and safety, with a failure rate comparable to current Zircaloy cladding. Modeling and design efforts require a thorough understanding of the properties and structure of SiC-based cladding. Furthermore, both fabrication and characterization of long, thin-walled SiC-SiC tubes to meet application requirements are challenging. In this work, mechanical and thermal properties of unirradiated, as-fabricated SiC-based cladding structures were measured, and permeability and dimensional control were assessed. In order to account for the tubular geometry of the cladding designs, development and modification of several characterization methods were required.

  7. Synthesis and optical properties of amorphous C-Si-O particles

    International Nuclear Information System (INIS)

    Amorphous C-Si-O particles, prepared by pyrolyzing PDMS in a horizontal furnace using the carrier gas N2/H2 at 900 oC, were characterized by electron microscopy, X-ray diffraction, FTIR spectroscopy, X-ray photoelectron spectroscopy and fluorescence spectroscopy. The particles possess four luminescence peaks at 440, 465, 533 and 620 nm, and produce stable red, green or blue light emissions at room temperature when irradiated with appropriate wavelengths, the four peaks attribute to different defect centers in the particles. And the particles exhibit the highest photoluminescence intensity when annealed at 600 oC. - graphical abstract: The figures are the fluorescence microscopy images of the amorphous C-Si-O particles, which show that the particles produce stable red, green or blue light emissions at room temperature when irradiated with appropriate wavelengths.

  8. 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.

  9. 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

    2016-06-24

    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. PMID:27184338

  10. Defects and structure of {mu}c-SiO{sub x}:H deposited by PECVD

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Lihong; Astakhov, Oleksandr; Carius, Reinhard; Lambertz, Andreas; Grundler, Thomas; Finger, Friedhelm [Forschungszentrum Juelich, IEF-5, 52425 Juelich (Germany)

    2010-04-15

    Electronic transport and paramagnetic defects detected by Electron Spin Resonance (ESR) in both intrinsic and -type silicon oxide prepared by PECVD were investigated. The structure and alloy composition of the material were varied all the way from microcrystalline silicon ({mu}c-Si:H) to amorphous silicon oxide (a-SiO{sub X}:H). The transition-phase-mixture material is called ''microcrystalline silicon oxide'' ({mu}c-SiO{sub X}:H). In undoped samples we find a strong reduction of the dark conductivity from 10{sup -3}to 10{sup -12} S/cm and an increase of the spin density from10{sup 17} to 3 x 10{sup 19} cm{sup -3} as the crystallinity decreases from 80% to 0%. The variation of the dark conductivity in phosphorous doped samples was even higher from 10{sup 1} to 10{sup -12} S/cm. ESR spectra of intrinsic material consist of a single featureless line with g-values in the range of 2.0043..2.005 depending on the structure and alloying. The spectra of -type material exhibit a broader range of g-values of 1.998..2.0043 due to strong variations of the Fermi level over the entire crystallinity range. The results are discussed within the frame of current understanding of {mu}c-SiO{sub X}:H as a phase mixture of {mu}c-Si:H crystallites embedded in a-SiO{sub X}:H matrix (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Microscopic thermal characterization of C/C and C/C-SiC composites

    Science.gov (United States)

    Jumel, J.; Krapez, J. C.; Lepoutre, F.; Enguehard, F.; Rochais, D.; Neuer, G.; Cataldi, M.

    2002-05-01

    To measure the thermal properties of C/C and C/C-SiC composites constituents, photoreflectance microscopy is used. Specific methods are developed to cope with experimental artefacts (material semi-transparency, convolution effects), so as with fibers and matrix specificities (strong thermal anisotropy, geometric effects…). Experimental results are presented demonstrating the interest of photoreflectance microscopy for a quantitative determination of the microscopic thermal properties of these complex graphite materials.

  12. 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.

  13. 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...

  14. 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

  15. Gas permeability of SiC/SiC composite as blanket material of fusion reactor

    International Nuclear Information System (INIS)

    Gas permeability of SiC/SiC composite materials, which is one of the most important properties in application of SiC/SiC composite for first wall and blanket of fusion reactors, was measured by using a vacuum apparatus. The cylindrical SiC/SiC composite specimens were prepared by three different processes. The measurement on permeability for three materials was carried out with helium gas pressure ranging from 102 to 105 Pa at room temperature. The pressure in bottom chamber down stream of specimens increased with the helium gas pressure within the applied pressure range. The helium gas flow through the material is regarded as molecular flow. The material made by PIP method showed the highest permeability. The lowest permeability was observed in the one made by PIP followed by RS method. The material, SA-TyrannoHexTM made by hot pressing was in the second position. The difference of the permeability can be related with the macroscopic structure represented by pores and cracks. (author)

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. Heteroepitaxy of 3C-SiC on different on-axis oriented silicon substrates

    Science.gov (United States)

    Anzalone, R.; Severino, A.; D'Arrigo, G.; Bongiorno, C.; Abbondanza, G.; Foti, G.; Saddow, S.; La Via, F.

    2009-04-01

    The heteroepitaxial growth of 3C-SiC films on on-axis (100), (110), and (111) Si oriented substrates has been investigated. A multistep growth process using low-pressure chemical vapor deposition with trichlorosilane as the silicon precursor was conducted at a growth temperature of 1350 °C. X-ray diffraction analysis (θ-2θ and polar figure) and numerical simulation have been shown to be a suitable method to investigate and understand the SiC film structural properties for each substrate orientation. Epitaxial SiC films with first order twins, at least for growth on (100) and (111) Si, were obtained. SiC growth on (110) Si, on the other hand, showed a change in the growth direction by the observation of first and second order twins from the ⟨110⟩ to ⟨111⟩ direction. This is due to the high growth rate of (110) 3C-SiC/(110) Si heteroepitaxial system which encourages the SiC film to grow in a direction with a higher packing density. It was observed that the 3C-SiC surface morphology and average residual stress depends strongly on the silicon substrate orientation, as confirmed by atomic force microscopy analysis and radius of curvature measurements.

  1. Effects of Ni+ and Ar+ ions implantation on magnetic properties of C/Si thin film

    International Nuclear Information System (INIS)

    The study of Ni+ and Ar+ ions effects on the magnetic properties of C/Si thin film was carried out. The Ni+ and Ar+ ions were implanted on C/Si thin up to the doses of 5 x 1016 ion/cm2 Identification by XRD indicates Ni+ and Ar+ ion intensity of diffraction peaks for C (002) and Ni (010). The ion implantation could cause the decline in the peak intensity of C (002). The peak intensity of C (002) decreases with the increasing of dose, whereas, the peak intensity of Ni (010) increases with increasing of ion dose. These results indicate the occurrence of distribution of Ni atoms on the surface of C/Si thin film. Measurement of magnetic properties by VSM (Vibrating Sample Magnetometer) indicates a change in magnetic properties of carbon nano structures on a thin film with addition of implantation dose. These magnetic properties increase with the addition of Ni+ ion dose, as indicated by the increase in the values of Ms (saturated magnetization), Mr (remanent magnetization) and Hc (coercive field), i.e 28%, 21% and 42% respectively. Measurement of GMR with Four Point Probe also shows an increase in the value of MR of about 26% at 7.5 kOe magnetic field with increasing ion dose. (author)

  2. 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.

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

    Science.gov (United States)

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

    2016-01-01

    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 nanometres 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 the 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. This unusual behaviour could be associated with irradiation-induced grain nucleation and growth in amorphous SiC matrix in which the 3C-SiC grains are embedded. The results could potentially have a positive impact on structural components of advanced nuclear energy systems.

  4. 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.

  5. 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 ...

  6. S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH3S(O)nOO (n=0,1,2)

    International Nuclear Information System (INIS)

    Optimized geometries, S-OO bond dissociation energies and enthalpies of formation for a series of thiomethyl peroxyl radicals are investigated using high level ab initio and density functional theory methods. The results show that the S-OO bond dissociation energy is largest in the methylsulfonyl peroxyl radical, CH3S(O)2OO, which contains two sulfonic type oxygen atoms followed by the methylthiyl peroxyl radical, CH3SOO. The methylsulfinyl peroxyl radical, CH3S(O)OO, which contains only one sulfonic type oxygen shows the least stability with regard to dissociation to CH3S(O)+O2. This stabilization trend is nicely reflected in the variations of the S-OO bond distance which is found to be shortest in CH3S(O)2OO and longest in CH3S(O)OO

  7. LAMMPS Framework for Directional Dynamic Bonding

    DEFF Research Database (Denmark)

    2012-01-01

    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 li...

  8. The 1,400 C-oxidation effect on microstructure, strength and cyclic life of SiC/SiC composites

    International Nuclear Information System (INIS)

    Relatively high strength and excellent oxidation resistance make silicon carbide (SiC) an attractive candidate for use in high temperature oxidizing environments. However, its application in monolithic form is very much limited due to its brittle nature. Therefore, it is often produced and used in reinforced form. A typical example which has drawn much attention in recent years is continuous SiC fiber reinforced SiC matrix composites produced by chemical vapor infiltration (CVI). Since toughness is directly related to the level of bonding at the fiber/matrix interface, carbon or boron nitride was found to be effective in this regard and is widely used in SiC/SiC composites. A major concern for this class of material, however, is oxidation. Although SiC forms a protective silica (SiO2), carbon and boron nitride oxidize at temperatures well below the projected use temperatures. Since the primary use of SiC/SiC composites has been in structural applications at elevated temperature, it is of interest to study the oxidation effect on mechanical properties. In this paper, the authors will present results regarding the changes taking place in microstructure, strength and cyclic fatigue properties as a result of the oxidizing heat-treatment at 1,400 C

  9. 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.

  10. Isotopic studies of trans- and cis-HOCO using rotational spectroscopy: Formation, chemical bonding, and molecular structures.

    Science.gov (United States)

    McCarthy, Michael C; Martinez, Oscar; McGuire, Brett A; Crabtree, Kyle N; Martin-Drumel, Marie-Aline; Stanton, John F

    2016-03-28

    HOCO is an important intermediate in combustion and atmospheric processes because the OH + CO → H + CO2 reaction represents the final step for the production of CO2 in hydrocarbon oxidation, and theoretical studies predict that this reaction proceeds via various intermediates, the most important being this radical. Isotopic investigations of trans- and cis-HOCO have been undertaken using Fourier transform microwave spectroscopy and millimeter-wave double resonance techniques in combination with a supersonic molecular beam discharge source to better understand the formation, chemical bonding, and molecular structures of this radical pair. We find that trans-HOCO can be produced almost equally well from either OH + CO or H + CO2 in our discharge source, but cis-HOCO appears to be roughly two times more abundant when starting from H + CO2. Using isotopically labelled precursors, the OH + C(18)O reaction predominately yields HOC(18)O for both isomers, but H(18)OCO is observed as well, typically at the level of 10%-20% that of HOC(18)O; the opposite propensity is found for the (18)OH + CO reaction. DO + C(18)O yields similar ratios between DOC(18)O and D(18)OCO as those found for OH + C(18)O, suggesting that some fraction of HOCO (or DOCO) may be formed from the back-reaction H + CO2, which, at the high pressure of our gas expansion, can readily occur. The large (13)C Fermi-contact term (aF) for trans- and cis-HO(13)CO implicates significant unpaired electronic density in a σ-type orbital at the carbon atom, in good agreement with theoretical predictions. By correcting the experimental rotational constants for zero-point vibration motion calculated theoretically using second-order vibrational perturbation theory, precise geometrical structures have been derived for both isomers. PMID:27036445

  11. Isotopic studies of trans- and cis-HOCO using rotational spectroscopy: Formation, chemical bonding, and molecular structures

    Science.gov (United States)

    McCarthy, Michael C.; Martinez, Oscar; McGuire, Brett A.; Crabtree, Kyle N.; Martin-Drumel, Marie-Aline; Stanton, John F.

    2016-03-01

    HOCO is an important intermediate in combustion and atmospheric processes because the OH + CO → H + CO2 reaction represents the final step for the production of CO2 in hydrocarbon oxidation, and theoretical studies predict that this reaction proceeds via various intermediates, the most important being this radical. Isotopic investigations of trans- and cis-HOCO have been undertaken using Fourier transform microwave spectroscopy and millimeter-wave double resonance techniques in combination with a supersonic molecular beam discharge source to better understand the formation, chemical bonding, and molecular structures of this radical pair. We find that trans-HOCO can be produced almost equally well from either OH + CO or H + CO2 in our discharge source, but cis-HOCO appears to be roughly two times more abundant when starting from H + CO2. Using isotopically labelled precursors, the OH + C18O reaction predominately yields HOC18O for both isomers, but H18OCO is observed as well, typically at the level of 10%-20% that of HOC18O; the opposite propensity is found for the 18OH + CO reaction. DO + C18O yields similar ratios between DOC18O and D18OCO as those found for OH + C18O, suggesting that some fraction of HOCO (or DOCO) may be formed from the back-reaction H + CO2, which, at the high pressure of our gas expansion, can readily occur. The large 13C Fermi-contact term (aF) for trans- and cis-HO13CO implicates significant unpaired electronic density in a σ-type orbital at the carbon atom, in good agreement with theoretical predictions. By correcting the experimental rotational constants for zero-point vibration motion calculated theoretically using second-order vibrational perturbation theory, precise geometrical structures have been derived for both isomers.

  12. 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

  13. 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

  14. 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...

  15. 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

  16. 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.

  17. Covalent bonding and bandgap formation in transition-metal aluminides: di-aluminides of group VIII transition metals

    International Nuclear Information System (INIS)

    In this paper we study the electronic structure, electron density distribution and bonding mechanism in transition-metal (TM) di-aluminides Al2TM formed by metals of group VIII (TM=Fe,Ru,Os) and crystal structures of TM di-silicides C11b (MoSi2), C40 (CrSi2) and C54 (TiSi2). A peculiar feature of the electronic structure of these TM di-aluminides is the existence of a semiconducting gap at the Fermi level. A substitution of a 3d TM by 4d or 5d metal enhances the width of the gap. From the analysis of the charge-density distribution and the crystal-orbital overlap population we conclude that the bonding between atoms has strong covalent character. This is confirmed not only from the enhanced charge density halfway between atoms, but also by a clear bonding-antibonding splitting of the electronic states. Groups of bonding and antibonding states corresponding to a particular bonding configuration of atoms are separated by a gap. As such a gap is observed in all bonding configurations among atoms in the unit cell it results in a gap in the total density of states. The bandgap exists at a certain electron per atom ratio e/A∼4.67 and also occurs in TM di-aluminides of groups VII and IX. For group VIII TM di-aluminides the Fermi level falls just in the gap. (author)

  18. 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.

  19. Physico-chemical stability of SiC/SiC fiber ceramic composites after exposure to fusion-relevant conditions

    International Nuclear Information System (INIS)

    The physico-chemical stability of SiC/SiC fiber ceramic composite (SiC/SiCf) in contact with Li2O in fusion-relevant conditions has been experimentally studied at 800 C in flowing helium (0.1 L/min) containing either 0.1% H2 or 100 ppm H2O and for exposure times of up to 4,032 h. The exposed SiC/SiC specimens have been characterized. The results obtained demonstrate that although the surface coating of the specimens is strongly attacked through chemical corrosion processes, the main physico-chemical characteristics of SiC/SiCf are affected to a limited extent only in the case of He + 0.1% H2 flowing gas, the bulk material not being attacked

  20. Influence of remaining C on hardness and emissivity of SiC/SiO{sub 2} nanocomposite coating

    Energy Technology Data Exchange (ETDEWEB)

    Yi, J. [Center for Composite Materials, Harbin Institute of Technology, P.O. Box 3010, Harbin 150001 (China)]. E-mail: yj_hit@163.com; He, X.D. [Center for Composite Materials, Harbin Institute of Technology, P.O. Box 3010, Harbin 150001 (China); Sun, Y. [Center for Composite Materials, Harbin Institute of Technology, P.O. Box 3010, Harbin 150001 (China); Li, Y. [Center for Composite Materials, Harbin Institute of Technology, P.O. Box 3010, Harbin 150001 (China); Li, M.W. [School of Materials Science and Engineering, Harbin Institute of Technology, P.O. Box 428, Harbin 150001 (China)

    2007-06-30

    SiC/SiO{sub 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{sub 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{sub 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{sub 2} nanocomposite coating.

  1. 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.

  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. 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.

  4. 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)

  5. 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

  6. 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.

  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. A novel microwave route for the preparation of ZrC-SiC composites

    Science.gov (United States)

    Das, Bharat. P.; Panneerselvam, M.; Rao, K. J.

    2003-06-01

    A novel microwave-assisted carbothermal reduction and carburization route has been used to prepare ZrC-SiC composite powders. Both zircon and mixtures of ZrO 2 and SiO 2 were used as starting materials along with amorphous carbon. Carbothermal reduction and carburization were examined in both argon and nitrogen atmospheres. Reaction kinetics in microwave field was found to exhibit notable differences for the two different starting materials. However, a complete oxide to carbide conversion was achieved in less than 30 min in both cases when argon was used as an ambient gas. The possible structural mechanism involved in the reactions has been discussed.

  9. A novel microwave route for the preparation of ZrC-SiC composites

    International Nuclear Information System (INIS)

    A novel microwave-assisted carbothermal reduction and carburization route has been used to prepare ZrC-SiC composite powders. Both zircon and mixtures of ZrO2 and SiO2 were used as starting materials along with amorphous carbon. Carbothermal reduction and carburization were examined in both argon and nitrogen atmospheres. Reaction kinetics in microwave field was found to exhibit notable differences for the two different starting materials. However, a complete oxide to carbide conversion was achieved in less than 30 min in both cases when argon was used as an ambient gas. The possible structural mechanism involved in the reactions has been discussed

  10. 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...

  11. Laser-fired contact optimization in c-Si solar cells

    OpenAIRE

    P. Ortega; Orpella, A.; Martin, I.; Lopez, G.; Voz, C.; Sanchez Aniorte, Maria Isabel; Molpeceres Alvarez, Carlos Luis; Alcubilla, R.

    2011-01-01

    In this work we study the optimization of laser-fired contact (LFC) processing parameters, namely laser power and number of pulses, based on the electrical resistance measurement of an aluminum single LFC point. LFC process has been made through four passivation layers that are typically used in c-Si and mc-Si solar cell fabrication: thermally grown silicon oxide (SiO2), deposited phosphorus-doped amorphous silicon carbide (a-SiCx/H(n)), aluminum oxide (Al2O3) and silicon nitride (SiNx/H) fil...

  12. Ac Impedance Spectroscopy Of Al/A-Sic/C-Si(P)/Al Heterostructure under Illumination

    Science.gov (United States)

    Perný, Milan; Šály, Vladimír; Váry, Michal; Mikolášek, Miroslav; Huran, Jozef; Packa, Juraj

    2014-05-01

    The amorphous silicon carbide/crystalline silicon heterojunction was prepared and analyzed. The current-voltage (I - V ) measurements showed the barrier properties of prepared sample. Biased impedance spectra of Al/a-SiC/c-Si(p)/Al heterojunction under the standard illumination are reported and analyzed. AC measurements in the illuminated conditions were processed in order to identify electronic behavior using equivalent AC circuit which was suggested and obtained by fitting the measured impedance data. A phenomenon of negative capacitance/resistance in certain frequency range has been observed.

  13. 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...

  14. Photoelectric phenomena in ZnO(ITO)/α-Si:H(n)/c-Si(p)/Al solar cells

    International Nuclear Information System (INIS)

    Solar cells (Sc) AlZnO/α-Si:H(n)/c-Si(p)/Al and Al/ITO/α-Si:H(n)/c-Si(p)/Al on silicon substrate have been obtained. Photoelectrical properties of SC under natural and linearly polarized light (LPL) at 300 K were investigated. The polarized photosensitivity of SC arising under inclined linearly polarized irradiation was detected. The nature of induced photopleochroism of SC with ZnO and ITO coatings was established

  15. 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.

  16. 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)

  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. Synthesis of beta-SiC/SiO2 core-sheath nanowires by CVD technique using Ni as catalyst.

    Science.gov (United States)

    Panda, S K; Sengupta, J; Jacob, C

    2010-05-01

    Cubic silicon carbide (beta-SiC)/SiO2 nanowires with uniform and knotted-core structures have been synthesized on nickel-coated Si(111) substrates at 1150 degrees C by using hexamethyldisilane (HMDS) as the source material in a hot wall atmospheric pressure chemical vapor deposition (APCVD) system. The nanowires consist of a single crystalline beta-SiC core wrapped with an amorphous SiO2 shell. The as-prepared SiC nanowires and the deposited Ni films were characterized by field emission scanning electron microscopy, X-ray diffraction, high resolution transmission electron microscopy, energy dispersive X-ray spectroscopy, micro-Raman spectroscopy, infrared spectroscopy and atomic force microscopy. The results show that the nanowires are random in direction and have diameter ranges from 25 nm to 70 nm. The core of the nanowires has a cubic zinc blend structure and a high density of planar defects is often found. The twin plane defects are suspected to be the main reason for the formation of the knotted-core SiC nanowires. A possible growth mechanism based on vapor-liquid-solid (VLS) by base growth technique is proposed. PMID:20358897

  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. 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.

  1. 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.

  2. Thermomechanical and thermophysical properties of liquid siliconized C/C-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Arendts, F.J.; Theuer, A. [Stuttgart Univ. (Germany). Inst. fuer Flugzeugbau; Maile, K.; Kuhnle, J. [Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt; Neuer, G.; Brandt, R. [Stuttgart Univ. (Germany). Inst. fuer Kernenergetik und Energiesysteme

    1995-06-01

    Mechanical properties (strength, stiffness and stress-strain behaviour) and physical properties (thermal expansion and conductivity, heat capacity and emissivity) of C/C-SiC (manufactured at DLR Stuttgart by liquid siliconization process) have been investigated at temperatures up to 1600 C. Sophisticated facilities have been developed and established for the thermomechanical testing of flat and tubular C/C-SiC-specimens under tension, compression and torsion loading (static and dynamic) and also for combined multiaxial loading. A non-linear stress-strain behaviour from the beginning of the load was observed. This nonlinearity is independent of the parameters specimen geometry, size and temperature. The test results have been correlated with analytical approaches. Thermophysical properties of samples with different types of woven (Atlas, Leinwand, Koeper) fibres (Toray T 300, Toray M 40) and varying volume content of fibres were measured and the results have been used to apply theoretical models available from the literature to calculate the properties of the material components. (orig.) 13 refs.

  3. 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.

  4. 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.

  5. Evaluation of Damage Tolerance of Advanced SiC/SiC Composites after Neutron Irradiation

    International Nuclear Information System (INIS)

    Silicon carbide composites (SiC/SiC) are attractive candidate materials for structural and functional components in fusion energy systems. The effect of neutron irradiation on damage tolerance of the nuclear grade SiC/SiC composites (plain woven Hi-NicalonTM Type-S reinforced CVI matrix composites multilayer interphase and unidirectional TyrannoTM-SA3 reinforced NITE matrix with carbon mono-layer interphase) was evaluated by means of miniaturized single-edged notched beam test. No significant changes in crack extension behavior and in the load-loadpoint displacement characteristics such as the peak load and hysteresis loop width were observed after irradiation to 5.9 x 1025 n/m2 (E > 0.1 MeV) at 800 deg. C and to 5.8 x 1025 n/m2 at 1300 deg. C. By applying a global energy balance analysis based on non-linear fracture mechanics, the energy release rate for these composite materials was found to be unchanged by irradiation with a value of 3±2 kJ/m2. This has led to the conclusion that, for these fairly aggressive irradiation conditions, the effect of neutron irradiation on the fracture resistance of these composites appears insignificant.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. An alternative synthesis of the breast cancer drug fulvestrant (Faslodex®): catalyst control over C-C bond formation.

    Science.gov (United States)

    Caprioglio, Diego; Fletcher, Stephen P

    2015-10-14

    Fulvestrant (Faslodex®) was synthesized in four steps (35% overall yield) from 6-dehydronandrolone acetate. Catalyst controlled, room temperature, diastereoselective 1,6-addition of the zirconocene derived from commercially available 9-bromonon-1-ene was used in the key C-C bond forming step. PMID:26300021

  11. Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi holes in Momentum Space

    Czech Academy of Sciences Publication Activity Database

    Ponec, Robert; Cooper, D.L.

    2010, s. 27. ISBN N. [Girona Seminar Electron Density, Density Matrices and Density Functional Theory /9./. Girona (ES), 05.07.2010-08.07.2010] R&D Projects: GA ČR GA203/09/0118 Institutional research plan: CEZ:AV0Z40720504 Keywords : chemical bonding * fermi holes * momentum space Subject RIV: CF - Physical ; Theoretical Chemistry

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. XPS characterization and photoelectrochemical behaviour of p-type 3C-SiC films on p-Si substrates for solar water splitting

    Science.gov (United States)

    Ma, Quan-Bao; Kaiser, Bernhard; Ziegler, Jürgen; Fertig, Dominic; Jaegermann, Wolfram

    2012-08-01

    The electrochemical (EC) properties of single-crystalline p-type 3C-SiC films on p-Si substrates were investigated as electrodes in H2SO4 aqueous solutions in dark and under white light illumination. Before EC tests, the SiC films were etched by HF solution and aqua-regia-HF solution, respectively, and then investigated by x-ray photoelectron spectroscopy (XPS) including one untreated SiC sample. After EC tests, XPS was also applied to investigate the surface chemical state changes. The EC measurements indicate that the p-type 3C-SiC films on p-Si substrates can generate a cathodic photocurrent as the photocathode, which corresponds to hydrogen production, and generate an anodic photocurrent as the photoanode, which corresponds to oxygen evolution. XPS shows the surface of all the SiC films was oxidized due to anodic oxidation applied by a positive bias during the EC test, which indicates the formation of silicon oxides, CO2 or CO and carbonates.

  17. XPS characterization and photoelectrochemical behaviour of p-type 3C-SiC films on p-Si substrates for solar water splitting

    International Nuclear Information System (INIS)

    The electrochemical (EC) properties of single-crystalline p-type 3C-SiC films on p-Si substrates were investigated as electrodes in H2SO4 aqueous solutions in dark and under white light illumination. Before EC tests, the SiC films were etched by HF solution and aqua-regia-HF solution, respectively, and then investigated by x-ray photoelectron spectroscopy (XPS) including one untreated SiC sample. After EC tests, XPS was also applied to investigate the surface chemical state changes. The EC measurements indicate that the p-type 3C-SiC films on p-Si substrates can generate a cathodic photocurrent as the photocathode, which corresponds to hydrogen production, and generate an anodic photocurrent as the photoanode, which corresponds to oxygen evolution. XPS shows the surface of all the SiC films was oxidized due to anodic oxidation applied by a positive bias during the EC test, which indicates the formation of silicon oxides, CO2 or CO and carbonates. (paper)

  18. 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.)

  19. Effect of propane/silane ratio on the growth of 3C-SiC thin films on Si(1 0 0) substrates by APCVD

    International Nuclear Information System (INIS)

    Highlights: ► 3C-SiC films were grown on Si(1 0 0) substrates at 1200 °C by atmospheric pressure CVD. ► The C/Si was varied from 2.0 to 3.6 and its effect was investigated. ► 3C-SiC films exhibit epitaxial nature with pyramid-like morphology for C/Si < 2.8. ► 3C-SiC films showed polycrystalline columnar grains with rounded shape for C/Si ≥ 2.8. ► The difference in crystalline properties is attributed to secondary nucleation rate. - Abstract: 3C-SiC thin films were grown on Si(1 0 0) substrates at 1200 °C by atmospheric pressure chemical vapor deposition. We performed an in-depth study on the effect of propane/silane ratio (it is expressed by C/Si which means the ratio of C atom to Si atom in propane and silane) on crystalline quality and microstructure of 3C-SiC thin films. The 3C-SiC thin films exhibit epitaxial nature with pyramid-like morphology or polycrystalline columnar grains with rounded shape, which are dependent on C/Si ratio. The growth mechanism of 3C-SiC film with different C/Si ratios is discussed based on the cross-sectional transmission electron microscopy characterization. The changes in crystalline and microstructure with increasing C/Si ratio are attributed to high secondary nucleation rate.

  20. Grafting of diazonium salts on oxides surface: formation of aryl-O bonds on iron oxide nanoparticles

    International Nuclear Information System (INIS)

    Combining ab initio modeling and 57Fe 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

  1. 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.

  2. Surface passivation effects on the electronic and optical properties of 3C-SiC nanocrystals

    International Nuclear Information System (INIS)

    Using time-dependent density functional theory the optical absorption spectrum of SiC nanocrystals was studied with changes in their surface structures as they are passivated with some functional groups such as amine (–NH2), amide (–CONH2), hydroxyl (–OH), carboxylic acid (–CO2H) and thiol (–SH) groups. The variations of some quantities such as formation energy, optical gap, single particle energy gap and lowest exciton binding energy of SiC nanocrystals are discussed with changes in their surface structure. Results indicate that in all cases the silicon dangling bonds on the surface of SiC nanocrystals are favorable for constructing stable structures with attached functional groups as in some cases their stability is more than pure hydrogenated SiC nanocrystal as an ideal structure. Also the functional groups attached to the surface of SiC nanocrystals change the optical properties of the SiC nanocrystals as the changes are remarkable for amide and thiol passivated nanocrystals

  3. Surface passivation effects on the electronic and optical properties of 3C-SiC nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Javan, Masoud Bezi, E-mail: javan.masood@gmail.com

    2015-01-01

    Using time-dependent density functional theory the optical absorption spectrum of SiC nanocrystals was studied with changes in their surface structures as they are passivated with some functional groups such as amine (–NH{sub 2}), amide (–CONH{sub 2}), hydroxyl (–OH), carboxylic acid (–CO{sub 2}H) and thiol (–SH) groups. The variations of some quantities such as formation energy, optical gap, single particle energy gap and lowest exciton binding energy of SiC nanocrystals are discussed with changes in their surface structure. Results indicate that in all cases the silicon dangling bonds on the surface of SiC nanocrystals are favorable for constructing stable structures with attached functional groups as in some cases their stability is more than pure hydrogenated SiC nanocrystal as an ideal structure. Also the functional groups attached to the surface of SiC nanocrystals change the optical properties of the SiC nanocrystals as the changes are remarkable for amide and thiol passivated nanocrystals.

  4. 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

  5. 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

  6. 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

  7. Ion beam synthesis and characterization of large area 3C-SiC pseudo substrates for homo- and heteroepitaxy

    International Nuclear Information System (INIS)

    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 C60-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.)

  8. 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.

  9. 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.

  10. 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.

  11. 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.)

  12. 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).

  13. 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.

  14. 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.

  15. 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.

  16. 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. PMID:25556299

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Surface acoustic wave devices on AlN/3C–SiC/Si multilayer structures

    International Nuclear Information System (INIS)

    Surface acoustic wave (SAW) propagation characteristics in a multilayer structure including a piezoelectric aluminum nitride (AlN) thin film and an epitaxial cubic silicon carbide (3C–SiC) layer on a silicon (Si) substrate are investigated by theoretical calculation in this work. Alternating current (ac) reactive magnetron sputtering was used to deposit highly c-axis-oriented AlN thin films, showing the full width at half maximum (FWHM) of the rocking curve of 1.36° on epitaxial 3C–SiC layers on Si substrates. In addition, conventional two-port SAW devices were fabricated on the AlN/3C–SiC/Si multilayer structure and SAW propagation properties in the multilayer structure were experimentally investigated. The surface wave in the AlN/3C–SiC/Si multilayer structure exhibits a phase velocity of 5528 m s−1 and an electromechanical coupling coefficient of 0.42%. The results demonstrate the potential of AlN thin films grown on epitaxial 3C–SiC layers to create layered SAW devices with higher phase velocities and larger electromechanical coupling coefficients than SAW devices on an AlN/Si multilayer structure. Moreover, the FWHM values of rocking curves of the AlN thin film and 3C–SiC layer remained constant after annealing for 500 h at 540 °C in air atmosphere. Accordingly, the layered SAW devices based on AlN thin films and 3C–SiC layers are applicable to timing and sensing applications in harsh environments. (paper)

  2. 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.

  3. 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.

  4. 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.

  5. 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%.

  6. 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

  7. 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

  8. Intramolecular electron density redistribution upon hydrogen bond formation in the anion methyl orange at the water/1,2-dichloroethane interface probed by phase interference second harmonic generation

    Science.gov (United States)

    Rinuy; Piron; Brevet; Blanchard-Desce; Girault

    2000-09-15

    Surface second harmonic generation (SSHG) studies of the azobenzene derivative p-dimethylaminoazobenzene sulfonate, often referred as Methyl Orange (MO), at the neat water/1,2-dichloroethane (DCE) interface is reported. The two forms of the anionic MO dye, which are usually observed in bulk solution, with one form being hydrogen bonded to a water molecule through the azo nitrogens (MO/H2O) and the other form not being hydrogen bonded (MO) have also been observed at the water/DCE interface. Their equilibrium constant has been compared with the corresponding bulk solution and found to be identical. The adsorption equilibrium of the two forms has been determined and the Gibbs energy of adsorption measured to be -30 kJmol(-1) for both forms. From a light polarisation analysis of the SH signal, the angle of orientation of the MO transition dipole moment was found to be 34 +/- 2 degrees for MO and 43 +/- 2 degrees for MO/H2O under the assumption of a Dirac delta function for the angle distribution, a difference explained by the different solvation properties of the two forms. Furthermore, the wavelength dependence analysis of these data revealed an interference pattern resulting from the electronic density redistribution within the hydrated anionic form occurring upon the formation of the hydrogen bond with a water molecule. This interference pattern was clearly evidenced with the use of another dye at the interface in order to define a phase reference to both forms of Methyl Orange. PMID:11039537

  9. 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

  10. Wide-range (0.33%-100%) 3C-SiC resistive hydrogen gas sensor development

    Science.gov (United States)

    Fawcett, Timothy J.; Wolan, John T.; Myers, Rachael L.; Walker, Jeremy; Saddow, Stephen E.

    2004-07-01

    Silicon carbide (SiC) resistive hydrogen gas sensors have been fabricated and tested. NiCr planar ohmic contacts were deposited on both a 4μm 3C-SiC epitaxial film grown on n-type Si(001) and directly on Si to form the resistive sensor structures. Detection at concentrations as low as 0.33% and as high as 100% (H2 in Ar) was observed with the 3C-SiC sensor while the Si sensor saturated at 40%. The 3C-SiC sensors show a remarkable range of sensitivity without any saturation effects typically seen in other solid-state hydrogen gas sensors. Under a constant 2V bias, these sensors demonstrated an increase in current up to 17mA upon exposure to pure H2. Preliminary experiments aimed at determining the gas sensing mechanism of these devices have been conducted and are also reported.

  11. 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.

  12. 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. PMID:26685710

  13. Interaction of 1,2,5-chalcogenadiazole derivatives with thiophenolate: hypercoordination with formation of interchalcogen bond versus reduction to radical anion.

    Science.gov (United States)

    Suturina, Elizaveta A; Semenov, Nikolay A; Lonchakov, Anton V; Bagryanskaya, Irina Yu; Gatilov, Yuri V; Irtegova, Irina G; Vasilieva, Nadezhda V; Lork, Enno; Mews, Rüdiger; Gritsan, Nina P; Zibarev, Andrey V

    2011-05-12

    According to the DFT calculations, [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (4), [1,2,5]selenadiazolo[3,4-c][1,2,5]thiadiazole (5), 3,4-dicyano-1,2,5-thiadiazole (6), and 3,4-dicyano-1,2,5-selenadiazole (7) have nearly the same positive electron affinity (EA). Under the CV conditions they readily produce long-lived π-delocalized radical anions (π-RAs) characterized by EPR. Whereas 4 and 5 were chemically reduced into the π-RAs with thiophenolate (PhS(-)), 6 did not react and 7 formed a product of hypercoordination at the Se center (9) isolated in the form of the thermally stable salt [K(18-crown-6)][9] (10). The latter type of reactivity has never been observed previously for any 1,2,5-chalcogenadiazole derivatives. The X-ray structure of salt 10 revealed that the Se-S distance in the anion 9 (2.722 Å) is ca. 0.5 Å longer than the sum of the covalent radii of these atoms but ca. 1 Å shorter than the sum of their van der Waals radii. According to the QTAIM and NBO analysis, the Se-S bond in 9 can be considered a donor-acceptor bond whose formation leads to transfer of ca. 40% of negative charge from PhS(-) onto the heterocycle. For various PhS(-)/1,2,5-chalcogenadiazole reaction systems, thermodynamics and kinetics were theoretically studied to rationalize the interchalcogen hypercoordination vs reduction to π-RA dichotomy. It is predicted that interaction between PhS(-) and 3,4-dicyano-1,2,5-telluradiazole (12), whose EA slightly exceeds that of 6 and 7, will lead to hypercoordinate anion (17) with the interchalcogen Te-S bond being stronger than the Se-S bond observed in anion 9. PMID:21500829

  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. Paramagnetic states in {mu}c-SiC:H thin films prepared by Hot-Wire CVD at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Lihong; Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm [IEF-5 Photovoltaik, Forschungszentrum Juelich (Germany); Chen, Tao [IEF-5 Photovoltaik, Forschungszentrum Juelich (Germany); State Key Lab of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang (China); Wang, Haiyan [IEF-5 Photovoltaik, Forschungszentrum Juelich (Germany); School of Physical Engineering, Zhengzhou University, Henan (China); Stutzmann, Martin [Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany)

    2010-04-15

    The relationship between the structure, electrical conductivity and paramagnetic states in microcrystalline hydrogenated silicon carbide ({mu}c-SiC:H) prepared by HWCVD is investigated. The study includes undoped and Al-doped (p -type) {mu}c-SiC:H of different crystalline volume fraction (I{sub C}{sup IR}). High densities of paramagnetic states are observed in undoped material over a wide range of crystallinity whereas the conductivity increases by 10 orders of magnitude up to 10{sup -2} S/cm as the material becomes more crystalline. This dramatic increase of the conductivity attributed to unintentional n -type doping has a clear effect on the ESR spectrum which changes from a broad featureless resonance in the low crystallinity material to a sharp line with a pair of distinct satellites in highly crystalline n -type {mu}c-SiC:H. Al-doping results in compensation and then effective p -type doping in {mu}c-SiC:H at higher doping concentration. Al-doping seems to hinder the crystalline growth in p -type {mu}c-SiC:H. For I{sub C}{sup IR} {<=} 20% the spin resonance signature is a broad (peak-to-peak linewidth {delta}H{sub pp}{approx}30 G) featureless slightly asymmetric line at g {approx} 2.01. The nature and behavior of the ESR spectra in different types of {mu}c-SiC:H are investigated with respect to the Fermi level position and crystalline volume fraction (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. 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

  18. 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.

  19. Celsian/yttrium silicate protective coating prepared by microwave sintering for C/SiC composites against oxidation

    International Nuclear Information System (INIS)

    A novel celsian/yttrium silicate coating was prepared by microwave sintering on the surface of C/SiC composites. During sintering process, celsian crystallized from BaO-Al2O3-SiO2 (BAS) glass in the coating and yttrium silicate was formed through the reaction of yttrium oxide and molten BAS glass. The composition and microstructure of the coatings were investigated and the efficiency of the composite coating against oxidation was characterized. The result showed the coating was dense and pore-free. The celsian/yttrium silicate coating can protect C/SiC composites for no less than 90 min at 1773 K in air

  20. The cheap preparation technology of A-, μC-SiC:H films for thin film solar cells

    International Nuclear Information System (INIS)

    We propose the use of a cheap liquid methyltrichlorosilane (MTCS) as a precursor in the modified plasma enhanced- chemical-vapor-deposition (PECVD) system with a very high frequency (VHF) discharge for preparing high quality hydrogenated amorphous silicon carbide (αSi1-xCx:H) films with the large carbon content. This method allows to control the composition and the morphology of the films in the region of 0.3< x<0.7. The monocrystalline fraction, consisting of 3C-SiC crystallites in an amorphous network (μc-SiC:H), is revealed in the films with the composition of about 0.5. (Author)

  1. Variation of carrier concentration and interface trap density in 8MeV electron irradiated c-Si solar cells

    International Nuclear Information System (INIS)

    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

  2. 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

  3. 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.

  4. 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.

  5. Advanced SiC/SiC Ceramic Composites For Gas-Turbine Engine Components

    Science.gov (United States)

    Yun, H. M.; DiCarlo, J. A.; Easler, T. E.

    2004-01-01

    NASA Glenn Research Center (GRC) is developing a variety of advanced SiC/SiC ceramic composite (ASC) systems that allow these materials to operate for hundreds of hours under stress in air at temperatures approaching 2700 F. These SiC/SiC composite systems are lightweight (approximately 30% metal density) and, in comparison to monolithic ceramics and carbon fiber-reinforced ceramic composites, are able to reliably retain their structural properties for long times under aggressive gas-turbine engine environments. The key for the ASC systems is related first to the NASA development of the Sylramic-iBN Sic fiber, which displays higher thermal stability than any other SiC- based ceramic fibers and possesses an in-situ grown BN surface layer for higher environmental durability. This fiber is simply derived from Sylramic Sic fiber type that is currently produced at ATK COI Ceramics (COIC). Further capability is then derived by using chemical vapor infiltration (CVI) and/or polymer infiltration and pyrolysis (PIP) to form a Sic-based matrix with high creep and rupture resistance as well as high thermal conductivity. The objectives of this study were (1) to optimize the constituents and processing parameters for a Sylramic-iBN fiber reinforced ceramic composite system in which the Sic-based matrix is formed at COIC almost entirely by PIP (full PIP approach), (2) to evaluate the properties of this system in comparison to other 2700 F Sylramic-iBN systems in which the matrix is formed by full CVI and CVI + PIP, and (3) to examine the pros and cons of the full PIP approach for fabricating hot-section engine components. A key goal is the development of a composite system with low porosity, thereby providing high modulus, high matrix cracking strength, high interlaminar strength, and high thermal conductivity, a major property requirement for engine components that will experience high thermal gradients during service. Other key composite property goals are demonstration at

  6. 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

  7. 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

    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. The...

  8. 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.

  9. Nondestructive investigation of density defect in C/SiCs and its effect on the mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Hui, E-mail: phdhuimei@yahoo.com [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Li, Haiqing; Deng, Xiaodong; Cheng, Laifei [Science and Technology on Thermostructure Composite Materials Laboratory, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

    2012-09-15

    Density defect in a 3D needled C/SiC composite was successfully prepared by chemical vapor infiltration. Infrared thermal wave imaging, X-ray radiographic methods were used to examine the sensibility to the density defect in the C/SiC composite. Mechanical properties of the C/SiC composite containing the density defects were investigated by the three-point bending tests. Results show that both thermography and radiography methods can detect the density defect of the C/SiC composites, and the former is more effective than the latter especially with respect to detecting the superficial gas pores and delamination. There exists a critical defect ration R{sub d} of 30% (i.e., ration of defect volume to the whole specimen volume) about the effect of the density defect on the flexural strength of composites. With the increase of the defect length, the material strength decreased when the density defect ration R{sub d} < 30%, and then the material strength slightly recovered when the R{sub d} > 30%.

  10. Microstructural stability of SiC and SiC/SiC composites under high temperature irradiation environment

    International Nuclear Information System (INIS)

    Silicon carbide continuous fiber-reinforced silicon carbide matrix composites (SiC/SiC composite) are attractive as the structural material of advanced energy systems, including nuclear fusion. The irradiation may affect the fiber/matrix interphases which are responsible for the pseudo-ductile fracture behavior of SiC/SiC composites. In this work, the investigation of the microstructural evolution of SiC/SiC composites in a fusion environment is performed by the dual-ion irradiation method. Reinforcements were Tyranno-SA and Hi-Nicalon Type-S. The displacement damage rate was up to 100 dpa. The irradiation temperature and He/dpa ratio were up to 1673 K and 60 appm, respectively. The microstructural modification induced by the dual-ion irradiation especially occurred in the interphase. The advanced SiC fiber did not shrink and the C/SiC multilayer interphase showed a superior microstructural stability against the dual-ion irradiation at high temperatures

  11. 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.

  12. 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.

  13. Increasing the thermal conductivity of 2D SiC/SiC composites by heat-treatment

    International Nuclear Information System (INIS)

    Highlights: • Improved TC of SiC/SiC from 9.8 to 138.4 W/(m K) by heat-treatment. • Analyzed the change of grain size, crystallinity and interface bounding status. • Explained the effects of these changes on thermal conductivity of composites. • Discussed the relationship between heat treatment and TC of SiC/SiC. - Abstract: Effect of heat-treatment on the thermal conductivity of 2D SiC/SiC composites was investigated. Results showed that the thermal conductivity of SiC/SiC (9.8 W/(m K) at room temperature) increased by 194% as increasing the heat-treatment temperature from room temperature to 1700°C. After treated at 1900°C, the thermal conductivity increased 14 times from 9.8 W/(m K) (untreated) to 138.4 W/(m K). X-ray diffraction analysis and microstructural observation confirmed grain size of SiC matrix and SiC fiber were increased, meanwhile, with the increase of heat-treatment temperature, the distance between fiber and matrix enlarged from 0.5 μm (1300°C) to ∼1.4 μm (1700°C). The heat-treatment mainly influenced grain size of SiC matrix, the crystallinity of SiC fiber and the bounding status between fibers and matrix, which were very critical to the thermal conductivity of composites

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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...

  1. Atomic mixing and chemical bond formation in MoSx/Fe thin-film system deposited from a laser plume in a high-intensity electrostatic field

    International Nuclear Information System (INIS)

    The potential of pulsed laser deposition in an applied uniform electrostatic field was investigated. A flat, positively charged, fine-celled-grid counter electrode was used to provide bias voltage of up to +50 kV with respect to the substrate. This enabled control of the atomic mixing and made it possible to initiate chemical bond formation at the interfaces of the films formed by deposition from the laser-induced plume. As an example, the results of multilayer 56Fe/MoSx/57Fe film deposition are presented. At first, a bilayer MoSx/57Fe film was grown in the absence of the electric field. This was followed by 56Fe film deposition in an applied field. A relatively sharp interface between the MoSx and 57Fe films was observed. In contrast, after 56Fe deposition, effective atom mixing was observed and new chemical bonds between Fe, S and Mo were detected. By penetrating through the interface, accelerated 56Fe ions gave rise to the growth of an amorphous layer of up to 50 nm in thickness. It consisted of rather evenly distributed Fe, S and Mo atoms (at total ion dose of 2.5x1016 cm-2). The ion flux destroyed Mo-S chemical bonds, and the S atoms released preferably bound Fe atoms, thus forming a FeS2-type phase. The Mo atoms, as a lower-oxidation-state species (apparently together with S atoms), were localized in the vicinity of Fe atoms and affected the hyperfine magnetic fields. The technique developed has made it possible to study the ion-induced processes occurring at the interfaces of multilayer films. It can also be applied to improve the tribological functionality of thin films

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Palladium-catalyzed C–N and C–O bond formation of N-substituted 4-bromo-7-azaindoles with amides, amines, amino acid esters and phenols

    Directory of Open Access Journals (Sweden)

    Rajendra Surasani

    2012-11-01

    Full Text Available Simple and efficient procedures for palladium-catalyzed cross-coupling reactions of N-substituted 4-bromo-7-azaindole (1H-pyrrole[2,3-b]pyridine, with amides, amines, amino acid esters and phenols through C–N and C–O bond formation have been developed. The C–N cross-coupling reaction of amides, amines and amino acid esters takes place rapidly by using the combination of Xantphos, Cs2CO3, dioxane and palladium catalyst precursors Pd(OAc2/Pd2(dba3. The combination of Pd(OAc2, Xantphos, K2CO3 and dioxane was found to be crucial for the C–O cross-coupling reaction. This is the first report on coupling of amides, amino acid esters and phenols with N-protected 4-bromo-7-azaindole derivatives.

  7. Formation of C═C bond via knoevenagel reaction between aromatic aldehyde and barbituric acid at liquid/HOPG and vapor/HOPG interfaces.

    Science.gov (United States)

    Geng, Yanfang; Dai, Hongliang; Chang, Shaoqing; Hu, Fangyun; Zeng, Qingdao; Wang, Chen

    2015-03-01

    Controlling chemical reactions on surface is of great importance to constructing self-assembled covalent nanostructures. Herein, Knoevenagel reaction between aromatic aldehyde compound 2,5-di(5-aldehyde-2-thienyl)-1,4-dioctyloxybenzene (PT2) and barbituric acid (BA) has been successfully performed for the first time at liquid/HOPG interface and vapor/HOPG interface. The resulting surface nanostructures and the formation of C═C bond are recorded through scanning tunneling microscopy (STM), and confirmed by attenuated total reflectance Fourier-transform infrared (ATR/FT-IR) spectrometer and UV-vis absorption. The obtained results reveal that Knoevenagel condensation reaction can efficiently occur at both interfaces. This surface reaction would be an important step toward further reaction to produce innovative conjugated nanomaterial on the surface. PMID:25664650

  8. On peptide bond formation, translocation, nascent protein progression and the regulatory properties of ribosomes. Derived on 20 October 2002 at the 28th FEBS Meeting in Istanbul.

    Science.gov (United States)

    Agmon, Ilana; Auerbach, Tamar; Baram, David; Bartels, Heike; Bashan, Anat; Berisio, Rita; Fucini, Paola; Hansen, Harly A S; Harms, Joerg; Kessler, Maggie; Peretz, Moshe; Schluenzen, Frank; Yonath, Ada; Zarivach, Raz

    2003-06-01

    High-resolution crystal structures of large ribosomal subunits from Deinococcus radiodurans complexed with tRNA-mimics indicate that precise substrate positioning, mandatory for efficient protein biosynthesis with no further conformational rearrangements, is governed by remote interactions of the tRNA helical features. Based on the peptidyl transferase center (PTC) architecture, on the placement of tRNA mimics, and on the existence of a two-fold related region consisting of about 180 nucleotides of the 23S RNA, we proposed a unified mechanism integrating peptide bond formation, A-to-P site translocation, and the entrance of the nascent protein into its exit tunnel. This mechanism implies sovereign, albeit correlated, motions of the tRNA termini and includes a spiral rotation of the A-site tRNA-3' end around a local two-fold rotation axis, identified within the PTC. PTC features, ensuring the precise orientation required for the A-site nucleophilic attack on the P-site carbonyl-carbon, guide these motions. Solvent mediated hydrogen transfer appears to facilitate peptide bond formation in conjunction with the spiral rotation. The detection of similar two-fold symmetry-related regions in all known structures of the large ribosomal subunit, indicate the universality of this mechanism, and emphasizes the significance of the ribosomal template for the precise alignment of the substrates as well as for accurate and efficient translocation. The symmetry-related region may also be involved in regulatory tasks, such as signal transmission between the ribosomal features facilitating the entrance and the release of the tRNA molecules. The protein exit tunnel is an additional feature that has a role in cellular regulation. We showed by crystallographic methods that this tunnel is capable of undergoing conformational oscillations and correlated the tunnel mobility with sequence discrimination, gating and intracellular regulation. PMID:12787020

  9. 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

  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. Real-time Monitoring of Intermediates Reveals the Reaction Pathway in the Thiol-Disulfide Exchange between Disulfide Bond Formation Protein A (DsbA) and B (DsbB) on a Membrane-immobilized Quartz Crystal Microbalance (QCM) System*

    Science.gov (United States)

    Yazawa, Kenjiro; Furusawa, Hiroyuki; Okahata, Yoshio

    2013-01-01

    Disulfide bond formation protein B (DsbBS-S,S-S) is an inner membrane protein in Escherichia coli that has two disulfide bonds (S-S, S-S) that play a role in oxidization of a pair of cysteine residues (SH, SH) in disulfide bond formation protein A (DsbASH,SH). The oxidized DsbAS-S, with one disulfide bond (S-S), can oxidize proteins with SH groups for maturation of a folding preprotein. Here, we have described the transient kinetics of the oxidation reaction between DsbASH,SH and DsbBS-S,S-S. We immobilized DsbBS-S,S-S embedded in lipid bilayers on the surface of a 27-MHz quartz crystal microbalance (QCM) device to detect both formation and degradation of the reaction intermediate (DsbA-DsbB), formed via intermolecular disulfide bonds, as a mass change in real time. The obtained kinetic parameters (intermediate formation, reverse, and oxidation rate constants (kf, kr, and kcat, respectively) indicated that the two pairs of cysteine residues in DsbBS-S,S-S were more important for the stability of the DsbA-DsbB intermediate than ubiquinone, an electron acceptor for DsbBS-S,S-S. Our data suggested that the reaction pathway of almost all DsbASH,SH oxidation processes would proceed through this stable intermediate, avoiding the requirement for ubiquinone. PMID:24145032

  12. Real-time monitoring of intermediates reveals the reaction pathway in the thiol-disulfide exchange between disulfide bond formation protein A (DsbA) and B (DsbB) on a membrane-immobilized quartz crystal microbalance (QCM) system.

    Science.gov (United States)

    Yazawa, Kenjiro; Furusawa, Hiroyuki; Okahata, Yoshio

    2013-12-13

    Disulfide bond formation protein B (DsbBS-S,S-S) is an inner membrane protein in Escherichia coli that has two disulfide bonds (S-S, S-S) that play a role in oxidization of a pair of cysteine residues (SH, SH) in disulfide bond formation protein A (DsbASH,SH). The oxidized DsbAS-S, with one disulfide bond (S-S), can oxidize proteins with SH groups for maturation of a folding preprotein. Here, we have described the transient kinetics of the oxidation reaction between DsbASH,SH and DsbBS-S,S-S. We immobilized DsbBS-S,S-S embedded in lipid bilayers on the surface of a 27-MHz quartz crystal microbalance (QCM) device to detect both formation and degradation of the reaction intermediate (DsbA-DsbB), formed via intermolecular disulfide bonds, as a mass change in real time. The obtained kinetic parameters (intermediate formation, reverse, and oxidation rate constants (kf, kr, and kcat, respectively) indicated that the two pairs of cysteine residues in DsbBS-S,S-S were more important for the stability of the DsbA-DsbB intermediate than ubiquinone, an electron acceptor for DsbBS-S,S-S. Our data suggested that the reaction pathway of almost all DsbASH,SH oxidation processes would proceed through this stable intermediate, avoiding the requirement for ubiquinone. PMID:24145032

  13. Manufacturing and optical testing of 800 mm lightweight all C/SiC optics

    Science.gov (United States)

    Kaneda, Hidehiro; Naitoh, Masataka; Nakagawa, Takao; Imai, Tadashi; Katayama, Haruyoshi; Suganuma, Masahiro; Tange, Yoshio; Sato, Ryota; Enya, Keigo; Kotani, Masaki; Maruyama, Kenta; Onaka, Takashi; Kokusho, Takuma

    2013-09-01

    Owing to its high specific stiffness and high thermal stability, silicon carbide is one of the materials most suitable for large space-borne optics. Technologies for accurate optical measurements of large optics in the vacuum or cryogenic conditions are also indispensable. Within the framework of the large SiC mirror study program led by JAXA, we manufactured an 800-mm-diameter lightweight telescope, all of which is made of HB-Cesic, a new type of carbon-fiber-reinforced silicon carbide (C/SiC) material developed jointly by ECM, Germany and MELCO, Japan. We first fabricated an 800-mm HB-Cesic primary mirror, and measured the cryogenic deformation of the mirror mounted on an HB-Cesic optical bench in a liquid-helium chamber. We observed the cryo-deformation of 110 nm RMS at 18 K with neither appreciable distortion associated with the mirror support nor significant residual deformation after cooling. We then integrated the primary mirror and a high-order aspheric secondary mirror into a telescope. To evaluate its optical performance, we established a measurement system, which consists of an interferometer in a pressure vessel mounted on a 5-axis adjustable stage, a 900-mm auto-collimating flat mirror, and a flat mirror stand with mechanisms of 2-axis tilt adjustment and rotation with respect to the telescope optical axis. We installed the telescope with the measurement system into the JAXA 6-m chamber and tested them at a vacuum pressure to verify that the system has a sufficiently high tolerance against vibrations in the chamber environment. Finally we conducted a preliminary study of sub-aperture stitching interferometry, which is needed for telescopes of our target missions in this study, by replacing the 900-mm flat mirror with a rotating 300-mm flat mirror.

  14. 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)

  15. Homogenization of one dimensional SiC/SiC composites in traction condition

    International Nuclear Information System (INIS)

    Full text of publication follows: SiC/SiC composites have long been studied as possible material for fusion structural applications. They are now also studied as cladding material for future nuclear fission reactors. CEA develops a program in order to model their mechanical behavior, and particularly their evolution in reactors, under irradiation and high temperature conditions. The study of such complex materials needs a focus on much simpler objects: micro and mini-composites which are one dimensional (1D). A lot of experiments will be performed on these 1D composites, in order to study the influence of temperature, irradiation, chemical reactions, etc. and to model their effects. This modeling only concerns the 1-D composites, and needs to be reported at a bigger scale on the mechanical behavior model of 2D or 3D composites. This will be done by a homogenization process. From this point of view, the modeling of 1D composites is a key point in this study: - It is helpful for understanding and modeling all the experiments done on 1D composites; - It is the first step of the homogenization process. A lot of 1D composite models have already been developed. All of them share approximately the same physical modeling of the composites elements: fibers and matrix are elastic fragile materials, their cracking assuming a Weibull model, and the interface is modeled by a shear stress τ. The main problem for combining these elements and producing by homogenization a behavior model is to take the random fragmentation process into account. To do this, several approaches are commonly used: Monte Carlo simulations, Random Sequential Addition (RSA), etc. In this paper, we proposed yet another approach, based on the length distribution of a non uniform Poisson process. The main interest of this new approach is that it does not need any approximation and yields finally analytical formulas. This exact solution enables us to give some very close approximations, leading to very

  16. Dielectric passivation schemes for high efficiency n-type c-si solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Saynova, D.S.; Romijn, I.G.; Cesar, I.; Lamers, M.W.P.E.; Gutjahr, A. [ECN Solar Energy, P.O. Box 1, NL-1755 ZG Petten (Netherlands); Dingemans, G. [ASM, Kapeldreef 75, B-3001 Leuven (Belgium); Knoops, H.C.M.; Van de Loo, B.W.H.; Kessels, W.M.M. [Eindhoven University of Technology, Department of Appl. Physics, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Siarheyeva, O.; Granneman, E. [Levitech BV, Versterkerstraat 10, 1322AP Almere (Netherlands); Venema, P.R.; Vlooswijk, A.H.G. [Tempress Systems BV, Radeweg 31, 8171 Vaassen (Netherlands); Gautero, L.; Borsa, D.M.

    2013-10-15

    We investigate the impact of different dielectric layers and stacks on the passivation properties of boron doped p{sup ++}-emitters and phosphorous doped n{sup +}-BSFs which are relevant for competitive n-type cell conversion efficiencies. The applied passivation schemes are associated with specific properties at c-Si/dielectric interface and functional mechanisms. In this way we aim to gain a deeper understanding of the passivation mechanism of the differently doped fields within the n-type cells and identify options to further improve the efficiency. The deposition technologies in our study comprise industrial PECVD systems and/or ALD both in industrial and lab scale configurations. In case of p{sup ++}-emitters the best results were achieved by combining field effect and chemical passivation using stacks of low temperature wet chemical oxide and thin ALD-AlOx capped with PECVD-SiNx. The corresponding Implied Voc values were of about (673{+-}2) mV and J{sub 0} of (68{+-}2) fA/cm{sup 2}. For the n{sup +}-BSF passivation the passivation scheme based on SiOx with or without additional AlOx film deposited by a lab scale temporal ALD processes and capped with PECVD-SiNx layer yielded a comparable Implied Voc of (673{+-}2) mV, but then corresponding to J{sub 0} value of (80{+-}15) fA/cm{sup 2}. This passivation scheme is mainly based on the chemical passivation and was also suitable for p{sup ++} surface. This means that we have demonstrated that for n-Pasha cells both the emitter and BSF can be passivated with the same type of passivation that should lead to > 20% cell efficiency. This offers the possibility for transfer this passivation scheme to advanced cell architectures, such as IBC.

  17. 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.

  18. 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

  19. 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.)

  20. 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

  1. Suppression of Boride Formation in Transient Liquid Phase Bonding of Pairings of Parent Superalloy Materials with Different Compositions and Grain Structures and Resulting Mechanical Properties

    Science.gov (United States)

    Steuer, Susanne; Singer, Robert F.

    2014-07-01

    Two Ni-based superalloys, columnar grained Alloy 247 and single-crystal PWA1483, are joined by transient liquid phase bonding using an amorphous brazing foil containing boron as a melting point depressant. At lower brazing temperatures, two different morphologies of borides develop in both base materials: plate-like and globular ones. Their ratio to each other is temperature dependent. With very high brazing temperatures, the deleterious boride formation in Alloy 247 can be totally avoided, probably because the three-phase-field moves to higher alloying element contents. For the superalloy PWA1483, the formation of borides cannot be completely avoided at high brazing temperatures as incipient melting occurs. During subsequent solidification of these areas, Chinese-script-like borides precipitate. The mechanical properties (tensile tests at room and elevated temperatures and short-term creep rupture tests at elevated temperatures) for brazed samples without boride precipitation are very promising. Tensile strengths and creep times to 1 pct strain are comparable, respectively, higher than the ones of the weaker parent material for all tested temperatures and creep conditions (from 90 to 100 pct rsp. 175 to 250 pct).

  2. 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.

  3. H-initiated extended defects from plasma treatment: Comparison between c-Si and mc-Si

    Energy Technology Data Exchange (ETDEWEB)

    Nordmark, Heidi; Walmsley, John C; Holmestad, Randi [SINTEF Materials and Chemistry, NO-7465 Trondheim (Norway); Ulyashin, Alexander G, E-mail: Heidi.Nordmark@sintef.no [SINTEF Materials and Chemistry, PO Box 124 Blindern NO-0314 Oslo (Norway)

    2011-02-01

    In this study n- and p-type polished Czochralski-grown Si (Cz-Si) and p-type polished and as-cut multi-crystalline (mc) Si wafers have been directly H plasma treated in a plasma enhanced chemical vapour system in order to study H subsurface defect formation. Raman spectroscopy, secondary ion mass spectroscopy, scanning electron microscopy and transmission electron microscopy have been used to characterise the samples. In polished Cz-Si wafers, H induced defects were only observed up to 1 {mu}m below the surface, while in similarly treated mc samples H induced defects were observed on grain boundaries and dislocations up to several {mu}m below the surface. It is also established that the distribution of H in the subsurface regions of the Cz-Si substrates after hydrogenation as well as the formation of structural defects depend on the type of doping. Evolution of Si-H{sub x} bonds in hydrogenated Cz Si samples starts at 400 deg. C, while evolution of H initiated structural defects starts at 600 deg. C, when SiH{sub x} bonds are mostly dissolved.

  4. H-initiated extended defects from plasma treatment: Comparison between c-Si and mc-Si

    International Nuclear Information System (INIS)

    In this study n- and p-type polished Czochralski-grown Si (Cz-Si) and p-type polished and as-cut multi-crystalline (mc) Si wafers have been directly H plasma treated in a plasma enhanced chemical vapour system in order to study H subsurface defect formation. Raman spectroscopy, secondary ion mass spectroscopy, scanning electron microscopy and transmission electron microscopy have been used to characterise the samples. In polished Cz-Si wafers, H induced defects were only observed up to 1 μm below the surface, while in similarly treated mc samples H induced defects were observed on grain boundaries and dislocations up to several μm below the surface. It is also established that the distribution of H in the subsurface regions of the Cz-Si substrates after hydrogenation as well as the formation of structural defects depend on the type of doping. Evolution of Si-Hx bonds in hydrogenated Cz Si samples starts at 400 deg. C, while evolution of H initiated structural defects starts at 600 deg. C, when SiHx bonds are mostly dissolved.

  5. Epitaxially grown L10-FePt/(C, SiO2, and Al2O3) granular films

    International Nuclear Information System (INIS)

    Additive effects of C, SiO2, and Al2O3 on L10-FePt epitaxial thin film were studied. Samples were fabricated by co-sputtering of FePt and (C, SiO2, and Al2O3) on MgO (1 0 0) substrate at 973 K. These additives effectively reduce the particle size of FePt. C additive deteriorates the crystal orientation, while Al2O3 additive gradually degrades the L10 ordering. On the other hand, SiO2 additive can reduce the particle size while keeping the high c-axis orientation and higher degree of L10 ordering

  6. Celsian/yttrium silicate protective coating prepared by microwave sintering for C/SiC composites against oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Xiaohui [College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China)], E-mail: zheng_nudt@163.com; Du Yongguo; Xiao Jiayu; Lu Yufeng; Liang Chiyong [College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China)

    2009-04-15

    A novel celsian/yttrium silicate coating was prepared by microwave sintering on the surface of C/SiC composites. During sintering process, celsian crystallized from BaO-Al{sub 2}O{sub 3}-SiO{sub 2} (BAS) glass in the coating and yttrium silicate was formed through the reaction of yttrium oxide and molten BAS glass. The composition and microstructure of the coatings were investigated and the efficiency of the composite coating against oxidation was characterized. The result showed the coating was dense and pore-free. The celsian/yttrium silicate coating can protect C/SiC composites for no less than 90 min at 1773 K in air.

  7. Apparent activation energy of subcritical crack growth of SiC/SiC composites at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Y.S.; Stackpoole, M.M.; Bordia, R. [Univ. of Washington, Seattle, WA (United States)] [and others

    1995-04-01

    The purpose of this study is to investigate the environmental effect of oxygen-containing gases on the subcritical crack growth of continuous fiber (Nicalon {open_quotes}SiC{close_quotes}) reinforced ceramic matrix (SiC) composites at elevated temperatures. This is a continuing project and the primary goal for this time period is to obtain an apparent activation energy for SiC/SiC materials with two different interfaces: carbon and boron nitride coatings. In the past six months, the authors have conducted studies of subcritical crack growth on SiC/SiC composite materials in a corrosive (O{sub 2}) as well as an inert (Ar) atmosphere for temperatures ranging from 800 to 1100{degree}C.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Progress in the development of SiC/SiC composites for Advanced Energy Systems: CREST-ACE program

    International Nuclear Information System (INIS)

    Under the title of 'R and D of Environment Conscious Multi-Functional Structural Materials for Advanced Energy Systems', a new R and D activity to establish high efficiency and environmental conscious energy conversion systems, as one of the programs of Core Research for Evolutional Science and Technology (CREST), has been initiated from October 1997 to September 2002. This program cares for R and D of high performance materials and materials systems for severe environments and production of model components for energy conversion systems is carried out. The emphasis is on R and D of SiC/SiC, W/W with their system studies to establish sound material life cycles. The program outline and preliminary results on SiC/SiC are provided. (author)

  14. Rim region growth and its composition in reaction bonded boron carbide composites with core-rim structure

    International Nuclear Information System (INIS)

    Aluminum was detected in reaction-bonded boron carbide that had been prepared by pressureless infiltration of boron carbide preforms with molten silicon in a graphite furnace under vacuum. The presence of Al2O3 in the heated zone, even though not in contact with the boron carbide preform, stands behind the presence of aluminium in the rim region that interconnects the initial boron carbide particles. The composition of the rim corresponds to the Bx(C,Si,Al)y quaternary carbide phase. The reaction of alumina with graphite and the formation of a gaseous aluminum suboxide (Al2O) accounts for the transfer of aluminum in the melt and, subsequently in the rim regions. The presence of Al increases the solubility of boron in liquid silicon, but with increasing aluminum content the activity of boron decreases. These features dominate the structural evolution of the rim-core in the presence of aluminum in the melt.

  15. Rim region growth and its composition in reaction bonded boron carbide composites with core-rim structure

    Science.gov (United States)

    Hayun, S.; Weizmann, A.; Dilman, H.; Dariel, M. P.; Frage, N.

    2009-06-01

    Aluminum was detected in reaction-bonded boron carbide that had been prepared by pressureless infiltration of boron carbide preforms with molten silicon in a graphite furnace under vacuum. The presence of Al2O3 in the heated zone, even though not in contact with the boron carbide preform, stands behind the presence of aluminium in the rim region that interconnects the initial boron carbide particles. The composition of the rim corresponds to the Bx(C,Si,Al)y quaternary carbide phase. The reaction of alumina with graphite and the formation of a gaseous aluminum suboxide (Al2O) accounts for the transfer of aluminum in the melt and, subsequently in the rim regions. The presence of Al increases the solubility of boron in liquid silicon, but with increasing aluminum content the activity of boron decreases. These features dominate the structural evolution of the rim-core in the presence of aluminum in the melt.

  16. 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...

  17. n-type emitter surface passivation in c-Si solar cells by means of antireflective amorphous silicon carbide layers

    OpenAIRE

    Ferré Tomas, Rafel; Martín García, Isidro; Ortega Villasclaras, Pablo Rafael; Vetter, Michael; Torres, I.; Alcubilla González, Ramón

    2006-01-01

    Emitter saturation current densities (JOe) of phosphorus-diffused planar c-Si solar cell emitters passivated by silicon carbide (SiCx) layers have been determined in a wide sheet resistance range (20-500 Ω/sp). Phosphorus diffusions were performed using solid planar diffusion sources without employing any drive-in step. Stacks of two SiCx layers were deposited by plasma enhanced chemical vapor deposition: first a thin silicon rich layer with excellent passivating properties and th...

  18. 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

  19. 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

  20. Effect of sintering temperature on structure of C-B4C-SiC composites with silicon additive

    International Nuclear Information System (INIS)

    Carbon materials possess good electric conductivity, heat conductivity, corrosion-resistance, self-lubrication and hot-shocking resistance, and are easily machined. However, they have low mechanical strength, and are easily oxidized in air at high temperature. On the contrary, ceramic materials have high mechanical strength and hardness, and have good wear-resistance and oxidation-resistance. However, they have the shortages of poor thermal-shock resistance lubrication, and are difficult to machine. Therefore, carbon/ceramic composites with the advantages of both carbon and ceramic materials have been widely studied in the recent years. Huang prepared C-B4C-SiC composites with the free sintering method and the hot pressing method, and studied the effects of Si, Al, Al2O3, Ni and Ti additives on the properties of the composites. The results showed that these additives could improve the properties of the composites. Zhao et al. studies the structure of C-B4C-SiC composites with Si additive sintered at 2,000 C and found two c-center monoclinic phases. In this paper, the authors discussed the effect of the sintering temperature on the structure of C-B4C-SiC composites with Si additive by means of transmission electron microscope (TEM) and x-ray diffractometer (XRD)

  1. Substrate dependent stability and interplay between optical and electrical properties in {mu}-c:SiH single junction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Boccard, M.; Cuony, P.; Despeisse, M.; Domine, D.; Feltrin, A.; Wyrsch, N.; Ballif, C. [Ecole Polytechnique Federale de Lausanne (EPFL), Photovoltaics and Thin Film Electronics Laboratory, Rue A.-L. Breguet 2, CH-2000 Neuchatel (Switzerland)

    2011-01-15

    In this work, we analyze the effect of rough ZnO front electrodes developed in-house favoring high current versus ''smoother'' substrates favoring good V{sub oc} and FF on the properties of microcrystalline silicon ({mu}-c:SiH) cells. Complete {mu}-c:SiH p-i-n solar cells with intrinsic layer thicknesses varying from 1 to 6{mu}m were deposited using very high frequency plasma-enhanced chemical vapor deposition. The better scattering capabilities of rough substrates induce a significantly higher cell current in comparison to the smooth one for all the thicknesses. This allows a current output of more than 27 mA cm{sup -2} for cells thicker than 4{mu}m. As a result, there is no full compensation of poor light scattering by thickness increase up to 6{mu}m in {mu}-c:SiH solar cells. Concerning the electrical characteristics, good quality cells are obtained for all thicknesses on smooth substrates, whereas the thick cells on rough substrates exhibit poorer electrical characteristics. Cells grown on smooth substrates show excellent stability under light soaking and atmospheric storage for all the thicknesses. However, a high increase of the saturation current is evidenced after atmospheric storage for cells grown on rough substrates and thus a degradation of their electrical characteristics is observed. (author)

  2. High-performance SiC/SiC composites by improved PIP processing with new precursor polymers

    International Nuclear Information System (INIS)

    As they are potential candidates for fusion reactor structural materials, R and D are being conducted on SiC-based composite materials (CREST-ACE program). To improve the efficiency of the polymer impregnation and pyrolysis (PIP) process for SiC/SiC composite fabrication, a new precursor polymer, poly-vinylsilane (PVS) with SiC filler addition, was adopted as a matrix precursor and process optimization was performed. Consequently, high-density SiC/SiC composite with high mechanical properties was efficiently fabricated. Importantly, near-stoichiometric SiC matrix was developed by blending of poly-carbosilane (PCS) and poly-methylsilane (PMS). Remarkable improvements in tensile properties and fatigue characteristics (at 1573 K) were attained when inorganic powder fillers, BMAS or ZrSiO4, were added to the polymer mixture as the matrix precursor. These results are encouraging to make economically and environmentally attractive fusion reactors utilizing SiC/SiC composites as major structural materials

  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. 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)

  5. 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

  6. 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.

  7. 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.

  8. 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...

  9. Stacked base-pair structures of adenine nucleosides stabilized by the formation of hydrogen-bonding network involving the two sugar groups

    International Nuclear Information System (INIS)

    Highlights: ► A combination of laser desorption and supersonic jet-cooling is used to produce base pairs of adenine nucleosides. ► Stacked base-pair structure of N6,N6-dimethyladnosine is identified by IR vibrational spectroscopy. ► Anharmonic vibrational calculation is employed to analyze the vibrational mode coupling in the stacked base pair. - Abstract: We have employed a laser desorption technique combined with supersonic-jet cooling for producing base pairs of adenine nucleosides, adenosine (Ado) and N6,N6-dimethyladenosine (DMAdo) under low-temperature conditions. The resulting base pairs are then ionized through resonant two-photon ionization (R2PI) and analyzed by time-of-flight mass spectrometry. It is found that dimers of these adenine nucleosides are stable, especially in the case of DMAdo, with respect to those of the corresponding bases, i.e., adenine and N6,N6-dimethyladenine. Structural analysis of the DMAdo dimer is performed based on the IR–UV double resonance measurements and theoretical calculations. The result demonstrates that the dimer possesses a stacked structure being stabilized by the formation of hydrogen-bonding network involving the two sugar groups. The occurrence of the frequency shift and broadening is explained satisfactorily based on the anharmonic coupling of the OH stretching modes with specific bending modes and low-frequency modes of base and sugar moieties

  10. 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.

  11. 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

  12. Atomic state and characterization of nitrogen at the SiC/SiO2 interface

    International Nuclear Information System (INIS)

    We report on the concentration, chemical bonding, and etching behavior of N at the SiC(0001)/SiO2 interface using photoemission, ion scattering, and computational modeling. For standard NO processing of a SiC MOSFET, a sub-monolayer of nitrogen is found in a thin inter-layer between the substrate and the gate oxide (SiO2). Photoemission shows one main nitrogen related core-level peak with two broad, higher energy satellites. Comparison to theory indicates that the main peak is assigned to nitrogen bound with three silicon neighbors, with second nearest neighbors including carbon, nitrogen, and oxygen atoms. Surprisingly, N remains at the surface after the oxide was completely etched by a buffered HF solution. This is in striking contrast to the behavior of Si(100) undergoing the same etching process. We conclude that N is bound directly to the substrate SiC, or incorporated within the first layers of SiC, as opposed to bonding within the oxide network. These observations provide insights into the chemistry and function of N as an interface passivating additive in SiC MOSFETs

  13. Effect of silicon nitride layers on the minority carrier diffusion length in c-Si wafers

    International Nuclear Information System (INIS)

    Silicon nitride layers prepared from silane and ammonia based gases by microwave assisted plasma enhanced chemical vapor deposition (PECVD) and by low pressure chemical vapor deposition (LPCVD) techniques on p-type c-silicon substrates were studied via the methods of surface photovoltage (SPV), Fourier transform infrared (FTIR), and secondary-ion-mass spectroscopy (SIMS). The effective diffusion length in silicon was evaluated by the SPV method, and it was strongly influenced by the deposited SiNx layer. The FTIR spectra show the form of chemical bond of hydrogen in the layer. Two absorption bands belonging to Si-H and N-H groups and their modification after temperature treatment were found in the spectra of PECVD samples, while in the spectra of LPCVD samples only N-H bonds were recognized. Transport of H from PECVD silicon nitride into Si subsurface layer during the annealing process is shown by SIMS profiles of hydrogen. Positive influence of the penetrated H manifests in passivation of defects in the subsurface Si layer and, consequently, in better operation of the space charge region below the nitride and in longer effective diffusion length of minority carriers in the Si bulk. The average value of the diffusion length in the Si samples with the LPCVD nitride was shorter and dependent on the location of wafers in the reactor

  14. 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.

  15. Prediction of thermal conductivity for irradiated SiC/SiC composites by informing continuum models with molecular dynamics data

    International Nuclear Information System (INIS)

    This article proposes a new method to estimate the thermal conductivity of SiC/SiC composites subjected to neutron irradiation. The modeling method bridges different scales from the atomic scale to the scale of a 2D SiC/SiC composite. First, it computes the irradiation-induced point defects in perfect crystalline SiC using molecular dynamics (MD) simulations to compute the defect thermal resistance as a function of vacancy concentration and irradiation dose. The concept of defect thermal resistance is explored explicitly in the MD data using vacancy concentrations and thermal conductivity decrements due to phonon scattering. Point defect-induced swelling for chemical vapor deposited (CVD) SiC as a function of irradiation dose is approximated by scaling the corresponding MD results for perfect crystal β-SiC to experimental data for CVD-SiC at various temperatures. The computed thermal defect resistance, thermal conductivity as a function of grain size, and definition of defect thermal resistance are used to compute the thermal conductivities of CVD-SiC, isothermal chemical vapor infiltrated (ICVI) SiC and nearly-stoichiometric SiC fibers. The computed fiber and ICVI-SiC matrix thermal conductivities are then used as input for an Eshelby–Mori–Tanaka approach to compute the thermal conductivities of 2D SiC/SiC composites subjected to neutron irradiation within the same irradiation doses. Predicted thermal conductivities for an irradiated Tyranno-SA/ICVI-SiC composite are found to be comparable to available experimental data for a similar composite ICVI-processed with these fibers

  16. The cheap preparation technology of A-, mC-SiC:H films for thin film solar cells

    International Nuclear Information System (INIS)

    We propose the use of a cheap liquid methyltriclorosilane (MTCS) as a precursor in the modified plasma-enhanced-chemical-vapor-deposition (PECVD) system with a very high frequency (VHF) discharge for preparing high quality hydrogenated amorphous silicon carbide (a-Si1-xCx:H) films with the large carbon content. This method allows to control the composition and the morphology of the films in the region of 0.3< x<0.7. The monocrystalline fraction, consisting of 3C-SiC crystallites in an amorphous network (mc-SiC:H), is reveled in the films with the composition of about 0.5. (Author)

  17. 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.

  18. 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

  19. 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.

  20. 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...

  1. 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~- ).

  2. Joining Strength and Microstructure of Sintered SiC/SiC Joints Prepared by Active Brazing Process

    OpenAIRE

    LIU Yan,HUANG Zheng-Ren,LIU Xue-Jian,YUAN Ming

    2009-01-01

    Sintered SiC ceramics were brazed with itself by ternary Ag-Cu-Ti filler metal foil. Effects of brazing parameters such as temperature, holding time on joining strength, together with interface microstructure and reaction products were investigated. Experimental results indicate that joining strength has peak value with the increasing of brazing temperature and holding time, and the max fourª²point bending strength of SiC/SiC joints reaches 342MPa. The joining strength increases first with th...

  3. Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions

    OpenAIRE

    Chih-Hsien Cheng; An-Jye Tzou; Jung-Hung Chang; Yu-Chieh Chi; Yung-Hsiang Lin; Min-Hsiung Shih; Chao-Kuei Lee; Chih-I Wu; Hao-Chung Kuo; Chun-Yen Chang; Gong-Ru Lin

    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...

  4. 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.

  5. 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.)

  6. 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.

  7. 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)

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. High temperature mass spectrometric study of the vaporization behaviour of SiC-SiO2 system

    International Nuclear Information System (INIS)

    The study of the gaseous phase of different SiC-SiO2 powder compositions with a high temperature mass spectrometer and a multiple cells device provides information about the evaporation behaviour of silicon carbide which serves as material for production of fine particle filters for diesel engines. We obtained a variation of the partial pressure values with a maximum for samples containing 30-45 mol% of SiO2 in contrast to thermodynamic predictions. Some SiC powders were subjected to a heat treatment in order to obtain an oxide layer on the grain surfaces. Different times of heat treatment resulted in different CO(g) and SiO(g) pressures which at high temperature converged to the same values. Surprisingly, an excess of SiO2 provoked a decrease of the SiO(g) pressure which was explained by taking into account two steady-state congruent vaporization processes in the effusion cell, one from SiC + SiO2 and one from SiO2

  13. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

    International Nuclear Information System (INIS)

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascade production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (∼0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential

  14. Study of optical sensors of the form Al/a-SiC:H/c-Si(n with high sensitivity.

    Directory of Open Access Journals (Sweden)

    L. Magafas

    2008-06-01

    Full Text Available In the present work optical sensors of the form Al/a-SiC:H/c-Si(n, for different thickness of a-SiC:H thin films are stud-ied. More specifically, a-SiC:H thin films were deposited by rf sputtering technique on c-Si(n substrates for different thickness of the amorphous semiconductor and, subsequently, the samples were annealed in the temperature range from 300oC up to 675 oC. Experimental measurements of the optical response of these sensors showed that for thicknesses of a-SiC:H greater than a critical value, which depends on annealing temperature, a mechanism of losses is appeared in the region of wavelengths from 525nm up to 625nm. This behaviour is attributed to the recombination of photo-generated electrons-hole pairs in the neutral region of a-SiC:H, when this exceeds the diffusion length of minority carries, Lp. Also, the value of the reverse bias voltage appears to influence considerably the optical response of these sensors when d > Lp in the case where the a-SiC: H thin films were annealed at 600oC.

  15. Recombination and thin film properties of silicon nitride and amorphous silicon passivated c-Si following ammonia plasma exposure

    International Nuclear Information System (INIS)

    Recombination at silicon nitride (SiNx) and amorphous silicon (a-Si) passivated crystalline silicon (c-Si) surfaces is shown to increase significantly following an ammonia (NH3) plasma exposure at room temperature. The effect of plasma exposure on chemical structure, refractive index, permittivity, and electronic properties of the thin films is also investigated. It is found that the NH3 plasma exposure causes (i) an increase in the density of Si≡N3 groups in both SiNx and a-Si films, (ii) a reduction in refractive index and permittivity, (iii) an increase in the density of defects at the SiNx/c-Si interface, and (iv) a reduction in the density of positive charge in SiNx. The changes in recombination and thin film properties are likely due to an insertion of N–H radicals into the bulk of SiNx or a-Si. It is therefore important for device performance to minimize NH3 plasma exposure of SiNx or a-Si passivating films during subsequent fabrication steps

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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...