WorldWideScience

Sample records for density crystalline boron

  1. Crystalline boron nitride aerogels

    Science.gov (United States)

    Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

    2017-04-04

    This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

  2. Crystalline boron nitride aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

    2017-04-04

    This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

  3. Investigation of charges carrier density in phosphorus and boron doped SiN{sub x}:H layers for crystalline silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Paviet-Salomon, B., E-mail: bertrand.paviet-salomon@epfl.ch [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Gall, S. [Commissariat à l’Énergie Atomique (CEA), Laboratoire d’Innovation pour les Technologies des Énergies Nouvelles et les nanomatériaux (LITEN), Institut National de l’Énergie Solaire - INES, 50 avenue du Lac Léman, 73377 Le Bourget du Lac (France); Slaoui, A. [Institut de l’Électronique du Solide et des Systèmes (InESS), Unité Mixte de Recherche 7163 Centre National de la Recherche Scientifique-Université de Strasbourg (UMR 7163 CNRS-UDS), 23 rue du Loess, BP 20 CR, 67037 Strasbourg (France)

    2013-05-15

    Highlights: ► We investigate the properties of phosphorus and boron-doped silicon nitride films. ► Phosphorus-doped layers yield higher lifetimes than undoped ones. ► The fixed charges density decreases when increasing the films phosphorus content. ► Boron-doped films feature very low lifetimes. ► These doped layers are of particular interest for crystalline silicon solar cells. -- Abstract: Dielectric layers are of major importance in crystalline silicon solar cells processing, especially as anti-reflection coatings and for surface passivation purposes. In this paper we investigate the fixed charge densities (Q{sub fix}) and the effective lifetimes (τ{sub eff}) of phosphorus (P) and boron (B) doped silicon nitride layers deposited by plasma-enhanced chemical vapour deposition. P-doped layers exhibit a higher τ{sub eff} than standard undoped layers. In contrast, B-doped layers exhibit lower τ{sub eff}. A strong Q{sub fix} decrease is to be seen when increasing the P content within the film. Based on numerical simulations we also demonstrate that the passivation obtained with P- and B-doped layers are limited by the interface states rather than by the fixed charges.

  4. Electron tunneling through ultrathin boron nitride crystalline barriers.

    Science.gov (United States)

    Britnell, Liam; Gorbachev, Roman V; Jalil, Rashid; Belle, Branson D; Schedin, Fred; Katsnelson, Mikhail I; Eaves, Laurence; Morozov, Sergey V; Mayorov, Alexander S; Peres, Nuno M R; Neto, Antonio H Castro; Leist, Jon; Geim, Andre K; Ponomarenko, Leonid A; Novoselov, Kostya S

    2012-03-14

    We investigate the electronic properties of ultrathin hexagonal boron nitride (h-BN) crystalline layers with different conducting materials (graphite, graphene, and gold) on either side of the barrier layer. The tunnel current depends exponentially on the number of h-BN atomic layers, down to a monolayer thickness. Conductive atomic force microscopy scans across h-BN terraces of different thickness reveal a high level of uniformity in the tunnel current. Our results demonstrate that atomically thin h-BN acts as a defect-free dielectric with a high breakdown field. It offers great potential for applications in tunnel devices and in field-effect transistors with a high carrier density in the conducting channel.

  5. Rotary Ultrasonic Machining of Poly-Crystalline Cubic Boron Nitride

    OpenAIRE

    2014-01-01

    Poly-crystalline cubic boron nitride (PCBN) is one of the hardest material. Generally, so hard materials could not be machined by conventional machining methods. Therefore, for this purpose, advanced machining methods have been designed. Rotary ultrasonic machining (RUM) is included among them. RUM is based on abrasive removing mechanism of ultrasonic vibrating diamond particles, which are bonded on active part of rotating tool. It is suitable especially for machining hard and brittle materia...

  6. Single crystalline boron carbide nanobelts:synthesis and characterization

    Institute of Scientific and Technical Information of China (English)

    Bao Li-Hong; Li Chen; Tian Yuan; Tian Ji-Fa; Hui Chao; Wang Xing-Jun; Shen Cheng-Min; Gao Hong-Jun

    2008-01-01

    This paper reports that the large-scale single crystalline boron carbide nanobelts have been fabricated through a simple carbothermal reduction method with B/B203/C/Fe powder as precursors at ll00~C.Transmission electron microscopy and selected area electron diffraction characterizations show that the boron carbide nanobelt has a B4C rhomb-centred hexagonal structure with good crystallization.Electron energy loss spectroscopy analysis indicates that the nanobelt contains only B and C,and the atomic ratio of B to C is close to 4:1.High resolution transmission electron microscopy results show that the preferential growth direction of the nanobelt is [101].A possible growth mechanism is also discussed.

  7. Rotary Ultrasonic Machining of Poly-Crystalline Cubic Boron Nitride

    Directory of Open Access Journals (Sweden)

    Kuruc Marcel

    2014-12-01

    Full Text Available Poly-crystalline cubic boron nitride (PCBN is one of the hardest material. Generally, so hard materials could not be machined by conventional machining methods. Therefore, for this purpose, advanced machining methods have been designed. Rotary ultrasonic machining (RUM is included among them. RUM is based on abrasive removing mechanism of ultrasonic vibrating diamond particles, which are bonded on active part of rotating tool. It is suitable especially for machining hard and brittle materials (such as glass and ceramics. This contribution investigates this advanced machining method during machining of PCBN.

  8. Variations in Crystalline Structures and Electrical Properties of Single Crystalline Boron Nitride Nanosheets.

    Science.gov (United States)

    Aldalbahi, Ali; Zhou, Andrew Feng; Feng, Peter

    2015-11-13

    We report the studies of (1) the basic mechanism underlying the formation of defect-free, single crystalline boron nitride nanosheets (BNNSs) synthesized using pulsed laser plasma deposition (PLPD) technique, (2) the variation in the crystalline structure at the edges of the hexagonal boron nitride (h-BN) nanosheets, and (3) the basic electrical properties related to the BNNSs tunneling effect and electrical breakdown voltage. The nanoscale morphologies of BNNSs are characterized using scanning electron microscope (SEM) and high-resolution transmission electron microscope (HRTEM). The results show that each sample consisted of a number of transparent BNNSs that partially overlapped one another. Varying the deposition duration yielded different thicknesses of sample but did not affect the morphology, structure, and thickness of individual BNNSs pieces. Analysis of the SEM and HRTEM data revealed changes in the spatial period of the B3-N3 hexagonal structures and the interlayer distance at the edge of the BNNSs, which occurred due to the limited number of atomic layers and was confirmed further by x-ray diffraction (XRD) study. The experimental results clearly indicate that the values of the electrical conductivities of the super-thin BNNSs and the effect of temperature relied strongly on the direction of observation.

  9. Experimental core electron density of cubic boron nitride

    DEFF Research Database (Denmark)

    Wahlberg, Nanna; Bindzus, Niels; Bjerg, Lasse

    candidate because of its many similarities with diamond: bonding pattern in the extended network structure, hardness, and the quality of the crystallites.3 However, some degree ionic interaction is a part of the bonding in boron nitride, which is not present in diamond. By investigating the core density...... beyond multipolar modeling of the valence density. As was recently shown in a benchmark study of diamond by Bindzus et al.1 The next step is to investigate more complicated chemical bonding motives, to determine the effect of bonding on the core density. Cubic boron nitride2 lends itself as a perfect...... in boron nitride we may obtain a deeper understanding of the effect of bonding on the total density. We report here a thorough investigation of the charge density of cubic boron nitride with a detailed modelling of the inner atom charge density. By combining high resolution powder X-ray diffraction data...

  10. Influence of Boron doping on micro crystalline silicon growth

    Institute of Scientific and Technical Information of China (English)

    Li Xin-Li; Wang Guo; Chen Yong-Sheng; Yang Shi-E; Gu Jin-Hua; Lu Jing-Xiao; Gao Xiao-Yong; Li Rui; Jiao Yue-Chao; Gao Hai-Bo

    2011-01-01

    Microcrystalline silicon (Ftc-Si:H) thin films with and without boron doping are deposited using the radio-frequency plasmsrenhanced chemical vapour deposition method. The surface roughness evolutions of the silicon thin films are investigated using ex situ spectroscopic ellipsometry and an atomic force microscope. It is shown that the growth exponent β and the roughness exponent a are about 0.369 and 0.95 for the undoped thin film,respectively. Whereas,for the boron-doped pc-Si:H thin film,βincreases to 0.534 and a decreases to 0.46 due to the shadowing effect.

  11. The influence of metal Mg on micro-morphology and crystallinity of spherical hexagonal boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ning, E-mail: zhangning5832@163.com; Liu, Huan; Kan, Hongmin; Wang, Xiaoyang; Long, Haibo; Zhou, Yonghui

    2015-08-15

    Highlights: • The action mechanism of Mg to the synthesis of spherical BN was explored. • The influence of Mg content on the crystallinity of h-BN powders was studied. • Even if not added any template, the spherical h-BN could be prepared. - Abstract: This search used the boric acid and borax as a source of boron, urea as a nitrogen source, Mg as metal catalyst, and thus prepared different micro-morphology and crystallinity hexagonal boron nitride powders under a flowing ammonia atmosphere at a nitriding temperature of 750 °C. The effect of Mg content on the crystallinity and micro-morphology of hexagonal boron nitride powders was studied, and the Mg action mechanism was explored. Without the added surfactant, the graphitization index (GI) was 6.87, and the diameter of the spherical h-BN was bigger. When the added Mg were 0.1 g, 0.3 g, 0.5 g and 0.7 g, the (GI) decreased to 6.04, 5.67, 4.62 and 4.84, respectively. When the Mg content was higher (0.9 g), GI value increased rapidly, and the crystallinity became bad. When the Mg content was 0.5 g, the dispersion of h-BN powders was at its optimum and refinement apparently, and the crystallinity at its highest.

  12. High-performance nickel-cobalt-boron material for an asymmetric supercapacitor with an ultrahigh energy density

    Science.gov (United States)

    Chen, Rongna; Liu, Lei; Zhou, Junshuang; Hou, Li; Gao, Faming

    2017-02-01

    Nickel-cobalt-borons are synthesized using a facile and cost-effective reduction method. The effects of Ni/Co molar ratios and crystallinity on its supercapacitive performance are systematically investigated. It was found that nickel-cobalt-borons with the Ni/Co ratio being 2:1 and amorphous structure manifest the optimum specific capacitance of 2226.96 F/g at a current density of 1 A/g and still remain 1879.2 F/g with a high discharge current density of 20 A/g. An asymmetric supercapacitor device (ASC) has been fabricated with nickel-cobalt-borons (Ni-Co-B) as the positive electrode and commercial activated carbon (CAC) as the negative electrode material. The Ni-Co-B//CAC delivers an ultrahigh energy density of 66.40 Wh/kg at a power density of 788.91 W/kg. This ASC remains 85.76% of its initial capacitance even after 5000 charge-discharge cycles. The results demonstrate that amorphous nickel-cobalt-boron material is a promising candidate for energy storage application.

  13. Low temperature boron doping into crystalline silicon by boron-containing species generated in Cat-CVD apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Ohta, Tatsunori, E-mail: s1130011@jaist.ac.jp [Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); CREST, Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Koyama, Koichi [Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); CREST, Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ohdaira, Keisuke [Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Matsumura, Hideki [Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); CREST, Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)

    2015-01-30

    We have discovered that phosphorus (P) atoms can be doped into crystalline silicon (c-Si) at temperatures below 350 °C or even at 80 °C by using species generated by catalytic cracking reaction of phosphine (PH{sub 3}) molecules with heated tungsten (W) catalyzer in Cat-CVD apparatus. As further investigation, here, we study the feasibility of low temperature doping of boron (B) atoms into c-Si by using decomposed species generated similarly from diborane (B{sub 2}H{sub 6}) molecules. Dependency of properties of doped layers on catalyzer temperature (T{sub cat}) and substrate temperature (T{sub s}) is studied by both the Van der Pauw method based on the Hall-effect measurements and secondary ion mass spectroscopy (SIMS) for B doping in addition to P doping. It is found that, similarly to P doping, the surface of n-type c-Si is converted to p-type even at T{sub s} = 80 °C for T{sub cat} over 800 °C when c-Si is exposed to B{sub 2}H{sub 6} cracked species for a few minutes, and that the heat of substrate over 300 °C is likely to help for B doping contrary to P doping.

  14. Interaction of boron with graphite: A van der Waals density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Juan; Wang, Chen [Beijing Key Lab of Fine Ceramics, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Liang, Tongxiang, E-mail: txliang@tsinghua.edu.cn [State Key Lab of New Ceramic and Fine Processing, Tsinghua University, Beijing 100084 (China); Lai, Wensheng [Advanced Material Laboratory, School of Materials Science & Engineering, Tsinghua University, Beijing, 100084 (China)

    2016-08-30

    Highlights: • A van der Waals density-functional approach is applied to study the interaction of boron with graphite. • VdW-DF functionals give fair agreement of crystal parameters with experiments. • The π electron approaches boron while adsorbing on graphite surface. • The hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. • PBE cannot describe the interstitial boron in graphite because of the ignoring binding of graphite sheets. - Abstract: Boron doping has been widely investigated to improve oxidation resistance of graphite. In this work the interaction of boron with graphite is investigated by a van der Waals density-functional approach (vdW-DF). The traditional density-functional theory (DFT) is well accounted for the binding in boron-substituted graphite. However, to investigate the boron atom on graphite surface and the interstitial impurities require use of a description of graphite interlayer binding. Traditional DFT cannot describe the vdW physics, for instance, GGA calculations show no relevant binding between graphite sheets. LDA shows some binding, but they fail to provide an accurate account of vdW forces. In this paper, we compare the calculation results of graphite lattice constant and cohesive energy by several functionals, it shows that vdW-DF such as two optimized functionals optB88-vdW and optB86b-vdW give much improved results than traditional DFT. The vdW-DF approach is then applied to study the interaction of boron with graphite. Boron adsorption, substitution, and intercalation are discussed in terms of structural parameters and electronic structures. When adsorbing on graphite surface, boron behaves as π electron acceptor. The π electron approaches boron atom because of more electropositive of boron than carbon. For substitution situation, the hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. The B-doped graphite system with the hole has less

  15. Interaction of boron with graphite: A van der Waals density functional study

    Science.gov (United States)

    Liu, Juan; Wang, Chen; Liang, Tongxiang; Lai, Wensheng

    2016-08-01

    Boron doping has been widely investigated to improve oxidation resistance of graphite. In this work the interaction of boron with graphite is investigated by a van der Waals density-functional approach (vdW-DF). The traditional density-functional theory (DFT) is well accounted for the binding in boron-substituted graphite. However, to investigate the boron atom on graphite surface and the interstitial impurities require use of a description of graphite interlayer binding. Traditional DFT cannot describe the vdW physics, for instance, GGA calculations show no relevant binding between graphite sheets. LDA shows some binding, but they fail to provide an accurate account of vdW forces. In this paper, we compare the calculation results of graphite lattice constant and cohesive energy by several functionals, it shows that vdW-DF such as two optimized functionals optB88-vdW and optB86b-vdW give much improved results than traditional DFT. The vdW-DF approach is then applied to study the interaction of boron with graphite. Boron adsorption, substitution, and intercalation are discussed in terms of structural parameters and electronic structures. When adsorbing on graphite surface, boron behaves as π electron acceptor. The π electron approaches boron atom because of more electropositive of boron than carbon. For substitution situation, the hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. The B-doped graphite system with the hole has less ability to offer electrons to oxygen, ultimately resulted in the inhibition of carbon oxidation. For interstitial doping, vdW-DFs show more accurate formation energy than LDA. PBE functional cannot describe the interstitial boron in graphite reasonably because of the ignoring binding of graphite sheets. The investigation of electron structures of boron doped graphite will play an important role in understanding the oxidation mechanism in further study.

  16. Morphology of Low Density Foams from Crystalline Gels.

    Science.gov (United States)

    Beaucage, G.; Schaefer, D. W.; Lagasse, R. R.; Aubert, J. A.; Ehrlich, P.; Stein, R. S.; Whaley, P.; Kulkarni, S.

    1996-03-01

    Low-density polymer foams are often derived via supercritical extraction of crystalline gels. The nano-structural basis of these foams and gels, in a wide variety of systems, is distorted lamellae. We present an uncorrelated lamellar model which describes the small-angle scattering over 5 orders of size in these systems. Our approach is based on the unified approach to small-angle scattering and scattering data from 4 instruments. This approach is equally applicable to olefin foams from gelation in supercritical propane (Whaley, Kulkarni, Stein, Ehrlich), polyacrylonitrile foams and gels from DMF/ethylene glycol followed by supercritical extraction in CO2 (Lagasse) and isotactic PS foams and gels from decalin and extracted in supercritical CO2 (Aubert). Distortion of conventional crystalline morphologies can be rationalized in terms of the extent of entanglement of the polymer chains during crystallization and the deformability of lamellar platelets during supercritical drying. Correlations between melt and dilute solution morphologies are given.

  17. DC current and AC impedance measurements on boron-doped single crystalline diamond films

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Haitao; Gaudin, O.; Jackman, R.B. [Department of Electronic and Electrical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom); Muret, P.; Gheeraert, E. [Laboratoire d' Etudes des Proprietes Electroniques des Solides, BP166, 38042 Grenoble Cedex 9 (France)

    2003-09-01

    In this paper, we report the first measurement of impedance on boron-doped single crystalline diamond films from 0.1 Hz to 10 MHz with the temperature ranging from -100 C up to 300 C. The Cole-Cole (Z' via Z{sup ''}) plots are well fitted to a RC parallel circuit model and the equivalent Resistance and Capacitance for the diamond films have been estimated using the Zview curve fitting. The results show only one single semicircle response at each temperature measured. It was found that the resistance decreases from 70 G{omega} at -100 C to 5 k{omega} at 300 C. The linear curve fitting from -100 C to 150 C shows the sample has an activation energy of 0.37 eV, which is consistent with the theoretical value published of this kind of material. The equivalent capacitance is maintained at the level of pF up to 300 C suggesting that no grain boundaries are being involved, as expected from a single crystal diamond. The activation energy from the dc current-temperature curves is 0.36 eV, which is consistent with the value from ac impedance. The potential of this under-used technique for diamond film analysis will be discussed. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Sintering of nano crystalline silicon carbide by doping with boron carbide

    Indian Academy of Sciences (India)

    M S Datta; A K Bandyopadhyay; B Chaudhuri

    2002-06-01

    Sinterable nano silicon carbide powders of mean particle size (37 nm) were prepared by attrition milling and chemical processing of an acheson type alpha silicon carbide having mean particle size of 0.39 m (390 nm). Pressureless sintering of these powders was achieved by addition of boron carbide of 0.5 wt% together with carbon of 1 wt% at 2050°C at vacuum (3 mbar) for 15 min. Nearly 99% sintered density was obtained. The mechanism of sintering was studied by scanning electron microscopy and transmission electron microscopy. This study shows that the mechanism is a solid-state sintering process. Polytype transformation from 6H to 4H was observed.

  19. Boron

    Science.gov (United States)

    ... an eye wash. Boron was used as a food preservative between 1870 and 1920, and during World Wars ... chemical symbol), B (symbole chimique), Borate, Borate de Sodium, Borates, Bore, Boric Acid, Boric Anhydride, Boric Tartrate, ...

  20. Guided basin-hopping search of small boron clusters with density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melacca Campus, 75450 Melaka (Malaysia)

    2015-04-24

    The search for the ground state structures of Boron clusters has been a difficult computational task due to the unique metalloid nature of Boron atom. Previous research works had overcome the problem in the search of the Boron ground-state structures by adding symmetry constraints prior to the process of locating the local minima in the potential energy surface (PES) of the Boron clusters. In this work, we shown that, with the deployment of a novel computational approach that incorporates density functional theory (DFT) into a guided global optimization search algorithm based on basin-hopping, it is possible to directly locate the local minima of small Boron clusters in the PES at the DFT level. The ground-state structures search algorithm as proposed in this work is initiated randomly and needs not a priori symmetry constraint artificially imposed throughout the search process. Small sized Boron clusters so obtained compare well to the results obtained by similar calculations in the literature. The electronic properties of each structures obtained are calculated within the DFT framework.

  1. Boron reclamation

    Energy Technology Data Exchange (ETDEWEB)

    Smith, R.M.

    1980-07-01

    A process to recover high purity /sup 10/B enriched crystalline boron powder from a polymeric matrix was developed on a laboratory basis and ultimately scaled up to production capacity. The process is based on controlled pyrolysis of boron-filled scrap followed by an acid leach and dry sieving operation to return the powder to the required purity and particle size specifications. Typically, the recovery rate of the crystalline powder is in excess of 98.5 percent, and some of the remaining boron is recovered in the form of boric acid. The minimum purity requirement of the recovered product is 98.6 percent total boron.

  2. Superior critical current density obtained in MgB2 bulks via employing carbon-coated boron and minor Cu addition

    Science.gov (United States)

    Peng, Junming; Liu, Yongchang; Ma, Zongqing; Shahriar Al Hossain, M.; Xin, Ying; Jin, Jianxun

    2016-09-01

    High performance Cu doped MgB2 bulks were prepared by an in-situ method with carbon-coated amorphous boron as precursor. It was found that the usage of carbon-coated boron in present work leads to the formation of uniformly refined MgB2 grains, as well as a high level of homogeneous carbon doping in the MgB2 samples, which significantly enhance the Jc in both Cu doped and undoped bulks compared to MgB2 bulks with normal amorphous boron precursor. Moreover, minor Cu can service as activator, and thus facilitates the growth of MgB2 grains and improves crystallinity and grain connectivity, which can bring about the excellent critical current density (Jc) at self fields and low fields (the best values are 7 × 105 A/cm2 at self fields, and 1 × 105 A/cm2 at 2 T, 20 K, respectively). Simultaneously, minor Cu addition can reduce the amount of MgO impurity significantly, also contributing to the improvement of Jc at low fields. Our work suggests that Cu-activated sintering combined with employment of carbon-coated amorphous boron as precursor could be a promising technique to produce practical MgB2 bulks or wires with excellent Jc on an industrial scale.

  3. Single-step synthesis of crystalline h-BN quantum- and nanodots embedded in boron carbon nitride films

    Science.gov (United States)

    Matsoso, Boitumelo J.; Ranganathan, Kamalakannan; Mutuma, Bridget K.; Lerotholi, Tsenolo; Jones, Glenn; Coville, Neil J.

    2017-03-01

    Herein we report on the synthesis and characterization of novel crystalline hexagonal boron nitride (h-BN) quantum- and nanodots embedded in large-area boron carbon nitride (BCN) films. The films were grown on a Cu substrate by an atmospheric pressure chemical vapour deposition technique. Methane, ammonia, and boric acid were used as precursors for C, N and B to grow these few atomic layer thick uniform films. We observed that both the size of the h-BN quantum/nanodots and thickness of the BCN films were influenced by the vaporization temperature of boric acid as well as the H3BO3 (g) flux over the Cu substrate. These growth conditions were easily achieved by changing the position of the solid boric acid in the reactor with respect to the Cu substrate. Atomic force microscope (AFM) and TEM analyses show a variation in the h-BN dot size distribution, ranging from nanodots (∼224 nm) to quantum dots (∼11 nm) as the B-source is placed further away from the Cu foil. The distance between the B-source and the Cu foil gave an increase in the C atomic composition (42 at% C–65 at% C) and a decrease in both B and N contents (18 at% B and 14 at% N to 8 at% B and 7 at% N). UV–vis absorption spectra showed a higher band gap energy for the quantum dots (5.90 eV) in comparison with the nanodots (5.68 eV) due to a quantum confinement effect. The results indicated that the position of the B-source and its reaction with ammonia plays a significant role in controlling the nucleation of the h-BN quantum- and nanodots. The films are proposed to be used in solar cells. A mechanism to explain the growth of h-BN quantum/nanodots in BCN films is reported.

  4. Cat-doping: Novel method for phosphorus and boron shallow doping in crystalline silicon at 80 °C

    Energy Technology Data Exchange (ETDEWEB)

    Matsumura, Hideki; Hayakawa, Taro; Ohta, Tatsunori; Nakashima, Yuki; Miyamoto, Motoharu; Thi, Trinh Cham; Koyama, Koichi; Ohdaira, Keisuke [Japan Advanced Institute of Science and Technology (JAIST), Asahidai, Nomi-shi, Ishikawa-ken 923-1292 (Japan)

    2014-09-21

    Phosphorus (P) or boron (B) atoms can be doped at temperatures as low as 80 to 350 °C, when crystalline silicon (c-Si) is exposed only for a few minutes to species generated by catalytic cracking reaction of phosphine (PH₃) or diborane (B₂H₆) with heated tungsten (W) catalyzer. This paper is to investigate systematically this novel doping method, “Cat-doping”, in detail. The electrical properties of P or B doped layers are studied by the Van der Pauw method based on the Hall effects measurement. The profiles of P or B atoms in c-Si are observed by secondary ion mass spectrometry mainly from back side of samples to eliminate knock-on effects. It is confirmed that the surface of p-type c-Si is converted to n-type by P Cat-doping at 80 °C, and similarly, that of n-type c-Si is to p-type by B Cat-doping. The doping depth is as shallow as 5 nm or less and the electrically activated doping concentration is 10¹⁸ to 10¹⁹cm⁻³ for both P and B doping. It is also found that the surface potential of c-Si is controlled by the shallow Cat-doping and that the surface recombination velocity of minority carriers in c-Si can be enormously lowered by this potential control.

  5. Growth of Structured Non-crystalline Boron-Oxygen-Nitrogen Films and Measurement of Their Electrical Properties

    Institute of Scientific and Technical Information of China (English)

    CHEN Guang-Chao(陈广超); LU Fan-Xiu(吕反修); J.-H.Boo

    2003-01-01

    The boron-oxygen-nitrogen (BON) films have been grown on Si wafer by the low-frequency rf-plasma-enhanced metal-organic chemical vapour deposition method. The homogeneous film structure of completely amorphous BON is first fabricated on a low-temperature-made buffer at 500° C with N2 plasma and is observed with a high resolution-electron microscope by the transmission-electron diffraction. The results show that the interfaces among substrate/buffer/film are clear and straight in the structured film. A heterogeneous film containing nano-sized crystalline particles is also grown by a routine growth procedure as a referential structure. The C - V characteristic is measured on both the amorphous and crystal-containing films by using the metal-oxidesemiconductor structure. The dielectric constants of the films are, therefore, deduced to be 5.9 and 10.5 for the amorphous and crystal-containing films, respectively. The C - V results also indicate that more trapped charges exist in the amorphous film. The binding energy of the B, O, and N atoms in the amorphous film is higher than that in the crystal-containing one, and the N-content in the latter is found to be higher than that in the former by x-ray photo-electron spectroscopy. The different electrical property of the films is thought to originate from the energy state of the covalent electrons.

  6. Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Abdullahi, Yusuf Zuntu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Kaduna State University, P.M.B. 2339, Kaduna State (Nigeria); Rahman, Md. Mahmudur, E-mail: mahmudur@upm.edu.my [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Shuaibu, Alhassan [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Nigerian Defence Academy, P.M.B 2109 Kaduna (Nigeria); Abubakar, Shamsu [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Physics, Faculty of Science, Yobe State University, P.M.B. 1144, Yobe State (Nigeria); Zainuddin, Hishamuddin [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Institute for Mathematical Research, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Muhida, Rifki [Department of Physics-Energy Engineering, Surya University, Gedung 01 Scientia Business Park, Jl. Boulevard Gading Serpong Blok O/1, Summarecon Serpong, Tangerang 15810, Banten (Indonesia); Setiyanto, Henry [Analytical Chemistry Research Group, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha no. 10, Bandung 40132 (Indonesia)

    2014-08-15

    In this paper, we have investigated stable structural, electric and magnetic properties of manganese (Mn) atom adsorption on armchair hydrogen edge-terminated boron nitride nanoribbon (A-BNNRs) using first principles method based on density-functional theory with the generalized gradient approximation. Calculation shows that Mn atom situated on the ribbons of A-BNNRs is the most stable configuration, where the bonding is more pronounced. The projected density of states (PDOS) of the favored configuration has also been computed. It has been found that the covalent bonding of boron (B), nitrogen (N) and Mn is mainly contributed by s, d like-orbitals of Mn and partially occupied by the 2p like-orbital of N. The difference in energy between the inner and the edge adsorption sites of A-BNNRs shows that Mn atoms prefer to concentrate at the edge sites. The electronic structures of the various configurations are wide, narrow-gap semiconducting and half-metallic, and the magnetic moment of Mn atoms are well preserved in all considered configurations. This has shown that the boron nitride (BN) sheet covered with Mn atoms demonstrates additional information on its usefulness in future spintronics, molecular magnet and nanoelectronics devices.

  7. Clathrates and beyond: Low-density allotropy in crystalline silicon

    Science.gov (United States)

    Beekman, Matt; Wei, Kaya; Nolas, George S.

    2016-12-01

    In its common, thermodynamically stable state, silicon adopts the same crystal structure as diamond. Although only a few alternative allotropic structures have been discovered and studied over the past six decades, advanced methods for structure prediction have recently suggested a remarkably rich low-density phase space that has only begun to be explored. The electronic properties of these low-density allotropes of silicon, predicted by first-principles calculations, indicate that these materials could offer a pathway to improving performance and reducing cost in a variety of electronic and energy-related applications. In this focus review, we provide an introduction and overview of recent theoretical and experimental results related to low-density allotropes of silicon, highlighting the significant potential these materials may have for technological applications, provided substantial challenges to their experimental preparation can be overcome.

  8. Facile Synthesis of Highly Crystalline and Large Areal Hexagonal Boron Nitride from Borazine Oligomers

    Science.gov (United States)

    Park, Sungchan; Seo, Tae Hoon; Cho, Hyunjin; Min, Kyung Hyun; Lee, Dong Su; Won, Dong-Il; Kang, Sang Ook; Kim, Myung Jong

    2017-01-01

    A novel and facile synthetic method for h-BN films from borazine oligomer (B3N3H4)x precursors has been developed. This method only includes spin-coating of borazine oligomer onto nickel catalysts and a subsequent annealing step. Large areal and highly crystalline h-BN films were obtained. The stoichiometric B/N ratio of borazine oligomer precursor was preserved in the final h-BN product such that it was close to 1 as revealed by XPS. Catalytic effect of nickel for h-BN formation was clearly demonstrated by lowering crystallization temperature compared to the growth condition in the absence of catalyst. The graphene field effect transistor (GFET) characterization has proved the high quality synthesis of h-BN films, showing the shift of neutrality point and the increase of the mobility. This method can also provide functional h-BN coating on various surfaces by annealing Ni-coated borazine oligomer films and subsequent removal of Ni catalyst. PMID:28074854

  9. Effect of electron-irradiation on cross-link density and crystalline structure of low- and high-density polyethylene

    Science.gov (United States)

    Khonakdar, H. A.; Jafari, S. H.; Wagenknecht, U.; Jehnichen, D.

    2006-01-01

    Low- and high-density polyethylenes (LDPE and HDPE) were cross-linked in solid state by electron beam irradiation. Molar mass between cross-link joints, Mc, and cross-link density, ν, were calculated using rubber elasticity theory and hot set data. The results showed that the ν and creep modulus increased and creep strain and Mc decreased with increasing irradiation dose. As compared to HDPE, the LDPE had higher ν and lower Mc values at a similar irradiation dose. X-ray analysis and differential scanning calorimetry investigation of first heating cycle revealed no changes in crystalline structure of the irradiated samples. This was attributed to immobilization of radicals frozen in the crystalline phase. As a result of hindered mobility of the polymeric chains, these radicals were not able to cross-link the chains in the crystalline region. However, after melting of the crystals and during subsequent re-solidification process, different levels of crystallinity were developed depending on the applied irradiation dose. The irradiated samples with higher dose had lower crystallization and melting temperatures with reduced crystallinities. These confined crystallization behaviors, observed after a series of cooling and heating cycles, could be attributed to the decrease in the Mc values. The length of chain segment needed for usual crystallization by chain folding is decreased due to formation of cross-link joints and hence the crystallization process was hindered.

  10. Effects of glucose doping on the MgB2 superconductors using cheap crystalline boron

    Science.gov (United States)

    Parakkandy, Jafar Meethale; Shahabuddin, Mohammed; Shah, M. Shahabuddin; Alzayed, Nasser S.; Qaid, Salem A. S.; Madhar, Niyaz Ahmad; Ramay, Shahid M.; Shar, Muhammad Ali

    2015-12-01

    We report the effect of glucose (C6H12O6) doping on the structural and electromagnetic properties of MgB2 superconductor fabricated by dry mixing using planetary ball milling. Herein, as-prepared bulk polycrystalline Mg (B1-xCx) 2 samples with different doping levels (x = 0, 2, 4, and 6 at. %) were systematically studied by X-ray diffraction, magnetic and resistivity measurements, and microstructure analysis. When carbon doped, the reduction in critical transition temperature and shrinkage in a-lattice were obviously observed. This resulted in structural distortion of the MgB2 lattice, and thereby, enhanced an impurity scattering. In addition to these, upper critical field and high-field critical current densities were also enhanced. On the other hand, both pinning force and low-field critical current density are decreased. The high field enhancement and low field degradation are due to increase in impurity scattering and decrease in pinning force respectively.

  11. Liquid-crystalline polymer holograms for high-density optical storage and photomechanical analysis

    Science.gov (United States)

    Shishido, A.; Akamatsu, N.

    2012-10-01

    We report linear and crosslinked azobenzene containing liquid-crystalline polymers which can be applied to high-density optical storage and photomechanical analysis. We introduced a molecular design concept of multicomponent systems composed of photoresponse, refactive-index change amplification, and transparency units. Taking advantage of characteristics of liquid crystals (optical anisotropy and cooperative motion), polarization holograms were recorded, which enabled us higher-density holographic storage. On the other hand, crosslinked liquid-crystalline azobenzene polymer films were fabricated to investigate the photomechanical behavior. We have found that a large change in Young's modulus is induced by several mol%-cis form production. Furthermore, a unique bending behavior, which cannot be explained by the conventional bending mechanism, was observed in the crosslinked liquid-crystalline polymer films with azobenzene in the side chain.

  12. Doping Level of Boron-Doped Diamond Electrodes Controls the Grafting Density of Functional Groups for DNA Assays.

    Science.gov (United States)

    Švorc, Ĺubomír; Jambrec, Daliborka; Vojs, Marian; Barwe, Stefan; Clausmeyer, Jan; Michniak, Pavol; Marton, Marián; Schuhmann, Wolfgang

    2015-09-02

    The impact of different doping levels of boron-doped diamond on the surface functionalization was investigated by means of electrochemical reduction of aryldiazonium salts. The grafting efficiency of 4-nitrophenyl groups increased with the boron levels (B/C ratio from 0 to 20,000 ppm). Controlled grafting of nitrophenyldiazonium was used to adjust the amount of immobilized single-stranded DNA strands at the surface and further on the hybridization yield in dependence on the boron doping level. The grafted nitro functions were electrochemically reduced to the amine moieties. Subsequent functionalization with a succinic acid introduced carboxyl groups for subsequent binding of an amino-terminated DNA probe. DNA hybridization significantly depends on the probe density which is in turn dependent on the boron doping level. The proposed approach opens new insights for the design and control of doped diamond surface functionalization for the construction of DNA hybridization assays.

  13. Delimiting the boron influence on the adsorptive properties of water and rad OH radicals on H-terminated Boron Doped Diamond catalysts: A Density Functional Theory analysis

    Science.gov (United States)

    Jaimes, Raciel; Vazquez-Arenas, Jorge; González, Ignacio; Galván, Marcelo

    2016-11-01

    Motivated for the success of Boron Doped Diamond (BDD) in electrocatalysis, where water and hydroxyl radical interactions play an overriding role on surface reactivity, this study presents a Density Functional Theory (DFT) analysis intended to correlate its structure and reactivity. H-terminated periodic surfaces (supercells 5 × 5) with atomic composition of one boron per 150 C atoms are used for these purposes, and where B position was varied in different layers. Analyses of total density of states (TDOS), localization of occupied and unoccupied states near the Fermi level and adsorption energies show that the effect of B doping on surface reactivity decreases as a function of its vertical distance from the BDD surface, and it is restricted to the first three surface layers. The adsorption free energy calculated for a water molecule corroborates the hydrophobic nature of these surfaces, becoming more repulsive as B is located within the first three surface layers. In contrast, the free energy computed for hydroxyl radical is always exergonic. Hydrogen abstraction by hydroxyl radical is an energy-enabled process for all surface hydrogens, regardless if they are bonded to C or B atoms, becoming more energetic when hydrogen is directly bonded to B or its nearest neighbor carbon, while other abstractions present very similar adsorption energies than in the absence of boron.

  14. Vibrational and Raman Spectroscopic Study of Cubic Boron Nitride Under Pressure Using Density Functional Theory

    Science.gov (United States)

    Pillai, Sharad Babu; Mankad, Venu; Jha, Prafulla K.

    2017-08-01

    Pressure-dependent mechanical, vibrational and Raman spectroscopic study of the cubic boron nitride in context of recent experimental Raman spectroscopic has been performed using the ab initio calculations based on density functional theory. Detailed analysis of the pressure-dependent mechanical and phonon properties shows that the pressure significantly affects the elastic constants and phonon frequencies. There is a systematic variation of elastic properties with pressure while a polynomial expression is used to fit the pressure dependence of the Raman shift. The longitudinal optical-transverse optical (LO-TO) splitting reduces with pressure, and the intensity of both LO and TO peaks start diminishing after 750 GPa. The phonon dispersion curves up to 1000 GPa indicate its dynamical stability. The lower slope of frequency versus pressure for the LO and TO modes at higher pressures suggests its use for pressure calibration at higher pressures.

  15. Tuning field emission properties of boron nanocones with catalyst concentration

    Institute of Scientific and Technical Information of China (English)

    Li Chen; Tian Yuan; Wang Deng-Ke; Shi Xue-Zhao; Hui Chao; Shen Cheng-Min; Gao Hong-Jun

    2011-01-01

    Single crystalline boron nanocones are prepared by using a simple spin spread method in which Fe3O4 nanoparticles are pre-manipulated on Si(111) to form catalyst patterns of different densities. The density of boron nanocones can be tuned by changing the concentration of catalyst nanoparticles. High-resolution transmission electron microscopy analysis shows that the boron nanocone has a β-tetragonal structure with good crystallization. The field emission behaviour is optimal when the spacing distance is close to the nanocone length, which indicates that this simple spin spread method has great potential applications in electron emission nanodevices.

  16. Dibenzothiophene adsorption at boron doped carbon nanoribbons studied within density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    López-Albarrán, P. [Facultad de Ingeniería en Tecnología de la Madera, Universidad Michoacana de San Nicolás de Hidalgo, Santiago Tapia 403, CP 58000, Morelia, Michoacán (Mexico); Navarro-Santos, P., E-mail: pnavarrosa@conacyt.mx [Instituto de Investigaciones Químico-Biológicas, Universidad Michoacana de San Nicolás de Hidalgo, Santiago Tapia 403, CP 58000, Morelia, Michoacán (Mexico); Garcia-Ramirez, M. A. [Research Centre for Innovation in Aeronautical Engineering, Universidad Autónoma de Nuevo León, Ciudad Universitaria, San Nicolás de los Garza, CP 66451 Nuevo León (Mexico); Ricardo-Chávez, J. L. [Instituto Potosino de Investigación Científica y Tecnológica, Camino a la Presa San José 2055, Lomas 4" asección, CP 78216, San Luis Potosí, S. L. P. (Mexico)

    2015-06-21

    The adsorption of dibenzothiophene (DBT) on bare and boron-doped armchair carbon nanoribbons (ACNRs) is being investigated in the framework of the density functional theory by implementing periodic boundary conditions that include corrections from dispersion interactions. The reactivity of the ACNRs is characterized by using the Fukui functions as well as the electrostatic potential as local descriptors. Non-covalent adsorption mechanism is found when using the local Perdew-Becke-Ernzerhof functional, regardless of the DBT orientation and adsorption location. The dispersion interactions addition is a milestone to describe the adsorption process. The charge defects introduced in small number (i.e., by doping with B atoms), within the ACNRs increases the selectivity towards sulfur mainly due to the charge depletion at B sites. The DBT magnitude in the adsorption energy shows non-covalent interactions. As a consequence, the configurations where the DBT is adsorbed on a BC{sub 3} island increase the adsorption energy compared to random B arrangements. The stability of these configurations can be explained satisfactorily in terms of dipole interactions. Nevertheless, from the charge-density difference analysis and the weak Bader charge-distribution interactions cannot be ruled out completely. This is why the electronic properties of the ribbons are analyzed in order to elucidate the key role played by the B and DBT states in the adsorbed configurations.

  17. Influence of low-density polyethylene on the thermal characteristics and crystallinity of high melting point macro- and micro-crystalline waxes

    Energy Technology Data Exchange (ETDEWEB)

    Zaky, Magdy T., E-mail: magdytadrous@hotmail.com [Petroleum Refining Division, Egyptian Petroleum Research Institute (EPRI), 1-Ahmed El-Zomor Street, Hai Al-Zehour, Nasr City, P.O. Box 11727, Cairo (Egypt); Mohamed, Nermen H. [Petroleum Refining Division, Egyptian Petroleum Research Institute (EPRI), 1-Ahmed El-Zomor Street, Hai Al-Zehour, Nasr City, P.O. Box 11727, Cairo (Egypt)

    2010-02-20

    The influence of low-density polyethylene on the thermal characteristics and the crystallinity of high melting point macro- and micro-crystalline waxes were investigated. The samples were prepared through melt blending using mechanical stirrer. The thermal characteristics of the blended samples were determined using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The crystallinity of the samples was obtained using X-ray diffraction analyzer (XRD). The observations are discussed in terms of possible changes when the polymer is mixed with two types of waxes. The wax-polymer miscibility differed with the type of the wax and the amount of polymer mixed into the wax. Also, the crystallinity and congealing point of the waxes differed with the amount of polymer mixed into the wax. Moreover, the resulting data indicate that, blending of polymer with high melting point micro-crystalline wax elevates its melting point to reach the limits of high melting point ceresin waxes which can be used in different industrial applications.

  18. Kinetics of the permanent deactivation of the boron-oxygen complex in crystalline silicon as a function of illumination intensity

    Science.gov (United States)

    Steckenreiter, Verena; Walter, Dominic C.; Schmidt, Jan

    2017-03-01

    Based on contactless carrier lifetime measurements performed on p-type boron-doped Czochralski-grown silicon (Cz-Si) wafers, we examine the rate constant Rde of the permanent deactivation process of the boron-oxygen-related defect center as a function of the illumination intensity I at 170°C. While at low illumination intensities, a linear increase of Rde on I is measured, at high illumination intensities, Rde seems to saturate. We are able to explain the saturation by assuming that Rde increases proportionally with the excess carrier concentration Δ n and take the fact into account that at sufficiently high illumination intensities, the carrier lifetime decreases with increasing Δ n and hence the slope of Δ n (I) decreases, leading to an apparent saturation. Importantly, on low-lifetime Cz-Si samples no saturation of the deactivation rate constant is observed for the same illumination intensities, proving that the deactivation is stimulated by the presence of excess electrons and not directly by the photons.

  19. A density functional theory study on parameters fitting of ultra long armchair (n,n)single walled boron nitride nanotubes

    Institute of Scientific and Technical Information of China (English)

    Wang Yan-Li; Zhang Jun-Ping; Su Ke-He; Wang Xin; Liu Yan; Sun Xu

    2012-01-01

    Armchair (n,n) single walled boron nitride nanotubes with n=2-17 are studied by the density functional theory at the B3LYP/3-21G(d) level combined with the periodic boundary conditions for simulating the ultra long model.The results show that the structure parameters and the formation energies bear a strong relationship to n.The fitted analytical equations are developed with correlation coefficients larger than 0.999.The energy gaps of (2,2) and (3,3)tubes are indirect gaps,and the larger tubes (n=4-17) have direct energy gaps.Results show that the armchair boron nitride nanotubes (n=2-17) are insulators with wide energy gaps of between 5.93 eV and 6.23 eV.

  20. Measuring the mobility of single crystalline wires and its dependence on temperature and carrier density

    Energy Technology Data Exchange (ETDEWEB)

    Amorim, Cleber A; Berengue, Olivia M; Kamimura, Hanay; Chiquito, Adenilson J [NanO LaB-Departamento de Fisica, Universidade Federal de Sao Carlos, CEP 13565-905, CP 676, Sao Carlos, Sao Paulo (Brazil); Leite, Edson R, E-mail: amorim@df.ufscar.br [Laboratorio Interdisciplinar de EletroquImica e Ceramicas, Departamento de Quimica, Universidade Federal de Sao Carlos, CEP 13565-905, CP 676, Sao Carlos, Sao Paulo (Brazil)

    2011-05-25

    Kinetic transport parameters are fundamental for the development of electronic nanodevices. We present new results for the temperature dependence of mobility and carrier density in single crystalline In{sub 2}O{sub 3} samples and the method of extraction of these parameters which can be extended to similar systems. The data were obtained using a conventional Hall geometry and were quantitatively described by the semiconductor transport theory characterizing the electron transport as being controlled by the variable range hopping mechanism. A comprehensive analysis is provided showing the contribution of ionized impurities (low temperatures) and acoustic phonon (high temperatures) scattering mechanisms to the electron mobility. The approach presented here avoids common errors in kinetic parameter extraction from field effect data, serving as a versatile platform for direct investigation of any nanoscale electronic materials.

  1. High quality single atomic layer deposition of hexagonal boron nitride on single crystalline Rh(111) four-inch wafers

    Energy Technology Data Exchange (ETDEWEB)

    Hemmi, A.; Bernard, C.; Cun, H.; Roth, S.; Klöckner, M.; Kälin, T.; Osterwalder, J.; Greber, T., E-mail: greber@physik.uzh.ch [Physik-Institut, Universität Zürich, CH-8057 Zürich (Switzerland); Weinl, M.; Gsell, S.; Schreck, M. [Institut für Physik, Universität Augsburg, D-86135 Augsburg (Germany)

    2014-03-15

    The setup of an apparatus for chemical vapor deposition (CVD) of hexagonal boron nitride (h-BN) and its characterization on four-inch wafers in ultra high vacuum (UHV) environment is reported. It provides well-controlled preparation conditions, such as oxygen and argon plasma assisted cleaning and high temperature annealing. In situ characterization of a wafer is accomplished with target current spectroscopy. A piezo motor driven x-y stage allows measurements with a step size of 1 nm on the complete wafer. To benchmark the system performance, we investigated the growth of single layer h-BN on epitaxial Rh(111) thin films. A thorough analysis of the wafer was performed after cutting in atmosphere by low energy electron diffraction, scanning tunneling microscopy, and ultraviolet and X-ray photoelectron spectroscopies. The apparatus is located in a clean room environment and delivers high quality single layers of h-BN and thus grants access to large area UHV processed surfaces, which had been hitherto restricted to expensive, small area single crystal substrates. The facility is versatile enough for customization to other UHV-CVD processes, e.g., graphene on four-inch wafers.

  2. Effect of nitrogen on deposition and field emission properties of boron-doped micro-and nano-crystalline diamond films

    Institute of Scientific and Technical Information of China (English)

    L.A. Li; S.H. Cheng; H.D. Li; Q. Yu; J.W. Liu; X.Y. Lv

    2010-01-01

    In this paper, we report the effect of nitrogen on the deposition and properties of boron doped diamond films synthesized by hot filament chemical vapor deposition. The diamond films consisting of micro-grains (nano-grains) were realized with low (high) boron source flow rate during the growth processes. The transition of micro-grains to nano-grains is speculated to be strongly (weekly) related with the boron (nitrogen) flow rate. The grain size and Raman spectral feature vary insignificantly as a function of the nitrogen introduction at a certain boron flow rate. The variation of electron field emission characteristics dependent on nitrogen is different between microcrystalline and nanocrystalline boron doped diamond samples, which are related to the combined phase composition, boron doping level and texture structure. There is an optimum nitrogen proportion to improve the field emission properties of the boron-doped films.

  3. High Temperature Oxidation of Boron Nitride. Part 1; Monolithic Boron Nitride

    Science.gov (United States)

    Jacobson, Nathan; Farmer, Serene; Moore, Arthur; Sayir, Haluk

    1997-01-01

    High temperature oxidation of monolithic boron nitride (BN) is examined. Hot pressed BN and both low and high density CVD BN were studied. It is shown that oxidation rates are quite sensitive to microstructural factors such as orientation, porosity, and degree of crystallinity. In addition small amounts of water vapor lead to volatilization of the B2O3 oxide as H(x)B(y)O(z). For these reasons, very different oxidation kinetics were observed for each type of BN.

  4. Innovative method for boron extraction from iron ore containing boron

    Science.gov (United States)

    Wang, Guang; Wang, Jing-song; Yu, Xin-yun; Shen, Ying-feng; Zuo, Hai-bin; Xue, Qing-guo

    2016-03-01

    A novel process for boron enrichment and extraction from ludwigite based on iron nugget technology was proposed. The key steps of this novel process, which include boron and iron separation, crystallization of boron-rich slag, and elucidation of the boron extraction behavior of boron-rich slag by acid leaching, were performed at the laboratory. The results indicated that 95.7% of the total boron could be enriched into the slag phase, thereby forming a boron-rich slag during the iron and slag melting separation process. Suanite and kotoite were observed to be the boron-containing crystalline phases, and the boron extraction properties of the boron-rich slag depended on the amounts and grain sizes of these minerals. When the boron-rich slag was slowly cooled to 1100°C, the slag crystallized well and the efficiency of extraction of boron (EEB) of the slag was the highest observed in the present study. The boron extraction property of the slow-cooled boron-rich slag obtained in this study was much better than that of szaibelyite ore under the conditions of 80% of theoretical sulfuric acid amount, leaching time of 30 min, leaching temperature of 40°C, and liquid-to-solid ratio of 8 mL/g.

  5. Effects of Boron Compounds on the Mechanical and Fire Properties of Wood-chitosan and High-density Polyethylene Composites

    Directory of Open Access Journals (Sweden)

    Guo-Fu Wu

    2014-05-01

    Full Text Available Wood-plastic composites (WPCs represent a growing class of durable, low-maintenance construction materials whose use can decrease dependence on petroleum. High-density polyethylene (HDPE, chitosan (CS, wood flour (WF, boric acid (BA, and borax (BX, as well as maleic anhydride grafted polyethylene (MAPE and polyethylene wax (PE wax, were used to develop a durable wood-plastic composite (WPC using the extrusion method. The effects of boron compounds (3%, 6%, 9%, or 12% by weight BA/BX on the mechanical and fire properties of the WPCs were investigated. Mechanical testing indicated that as the percentage weight of boron compounds increased, the flexural modulus, flexural strength, and tensile strength significantly decreased. Cone calorimeter tests were used to characterize the fire performance of the WPCs, and these results suggested that adding BA/BX compounds to WPCs modestly improved the fire performance. As the percentage weight of BA/BX increased from 3% to 9%, the time to ignition (TTI, heat release rate (HRR, total heat release rate (HRR-Total, smoke production rate (SPR, and specific extinction area (SEA of the WPCs were all reduced.

  6. Electrolyte-promoted demineralization of biogenic, vitreous, and crystalline silica: A density functional investigation

    Science.gov (United States)

    Dove, P. M.; Wallace, A. F.; Gibbs, G. V.

    2007-12-01

    The dissolution of amorphous and crystalline varieties of SiO2 is an integral part of the global biogeochemical cycle of silicon. Nanoparticulate biogenic silica produced by marine phytoplankton and terrestrial plants are of particular interest because their enhanced reactivity and abundance make them important sources and sinks of dissolved silicon in natural environments. Recent experimental results on (100) surfaces of quartz show that the dominant dissolution mechanism in simple H2O solutions is by retreat of Q2 groups along step edges. In the presence of electrolytes, rates are accelerated by up to 100X in the presence by a crossover in the dominant dissolution mechanism to nucleation of vacancy islands at Q3 terminated species (Dove et al., PNAS, 2005). While the control of surface coordination in reactivity is clear, the molecular pathway by which electrolytes induce dissolution by a nucleated process remains poorly understood. The results of previous ab initio investigations of Si-O bond hydrolysis by water have demonstrated that the reaction proceeds through the dissociative adsorption of H2O at the silica surface, resulting in the formation of a pentacoordinated Si transition state, followed by the transfer of one of the water bound hydrogen atoms to a bridging oxygen in the SiO2 bonded network, and breakage of the Si-O bond. Assuming a similar reaction path, the specific effects of hydrated group II metal cations (Mg2+, Ca2+, Sr2+, Ba2+) on the energetics of Si-O bond hydrolysis have been investigated with density functional methods (B3LYP) and a relatively large neutral silica cluster (H8Si6O16). Reactant, product, and transition states for Q3 to Q2 hydrolysis in the presence and absence of the afore-mentioned cations have been determined with all electron (6-31G(d)) and effective core potential (SDDALL) Gaussian basis sets. The free energy of activation for Q3 to Q2 Si-O bond hydrolysis was determined to be approximately 5 kJ/mol lower for Ca2+ than Mg

  7. XCrySDen--a new program for displaying crystalline structures and electron densities.

    Science.gov (United States)

    Kokalj, A

    1999-01-01

    XCrySDen is a molecular and crystalline-structure visualization program, but its main function is as a property analyzer program. It can run on most UNIX platforms, without any special hardware or software requirements. Special efforts were made to allow for appropriate display of 3D isosurfaces and 2D contours, which can be superimposed on crystalline structure and interactively rotated and manipulated. XCrySDen is also a graphical user interface for the CRYSTAL95/98 (Saunders, V. R., et al. CRYSTAL98--User's Manual. University of Torino, Turin, Italy, 1999) ab initio program and a visualization system for the WIEN97 (Blaha, P., et al. Comput. Phys. Commun. 1990, 59, 399) ab initio program. In this article the program functions are presented with a short description of the algorithms.

  8. Relationship between branching density and crystalline structure of A- and B-type maize mutant starches.

    Science.gov (United States)

    Gérard, C; Planchot, V; Colonna, P; Bertoft, E

    2000-06-02

    Amylopectin from two double maize mutant starches of A-crystalline (wxdu) and B-crystalline type (aewx) was subjected successively to hydrolysis involving alpha and beta amylases, which isolated clusters and all branching zones of clusters (BZC). Enzymatic analysis together with ionic and size-exclusion chromatography revealed the structural features of the clusters and BZC and their role in starch crystallization. A-type clusters were larger (dp(n) > 80) and contained more (but shorter) chains than B-type clusters. The BZC of A-type starch was also larger, but with a shorter distance between the branching points than in B-type BZC. A-type clusters had a densely packed structure and B-type a poorly branched structure. Models for the structure of A- and B-type clusters are presented, and a hypothesis for the influence of cluster geometry on crystallization is proposed.

  9. Boron-Based (Nano-Materials: Fundamentals and Applications

    Directory of Open Access Journals (Sweden)

    Umit B. Demirci

    2016-09-01

    Full Text Available The boron (Z = 5 element is unique. Boron-based (nano-materials are equally unique. Accordingly, the present special issue is dedicated to crystalline boron-based (nano-materials and gathers a series of nine review and research articles dealing with different boron-based compounds. Boranes, borohydrides, polyhedral boranes and carboranes, boronate anions/ligands, boron nitride (hexagonal structure, and elemental boron are considered. Importantly, large sections are dedicated to fundamentals, with a special focus on crystal structures. The application potentials are widely discussed on the basis of the materials’ physical and chemical properties. It stands out that crystalline boron-based (nano-materials have many technological opportunities in fields such as energy storage, gas sorption (depollution, medicine, and optical and electronic devices. The present special issue is further evidence of the wealth of boron science, especially in terms of crystalline (nano-materials.

  10. Microscopic Effects of Shock Metamorphism in Crystalline Rocks Correlated With Shock Induced Changes in Density, Haughton Impact Structure

    Science.gov (United States)

    Singleton, A. C.; Osinski, G.; Moser, D.

    2009-05-01

    Asteroid and comet impacts are an important geological process on all solid planetary bodies, including Earth, and involve pressures and temperatures that may reach several hundred GPa and several thousand K [1] over very limited spatial and temporal scales. This results in shock metamorphism and alters the target material on both megascopic and microscopic scales [2]. Many shock metamorphic features are unique to hypervelocity impact environments and are, therefore, diagnostic of such an event [1,2]. Of particular interest for this study is the effect of hypervelocity impact on the density of the target material. In the case of crystalline target rocks, shock metamorphism results in an increase of pore space and impact induced fractures which act to decrease the density. The Haughton impact structure is a well-preserved late Eocene (39 ± 2 Ma) complex impact structure, situated near the western end of Devon Island (75°22'N, 89°41'W) [3]. The geology of the area consists of a sedimentary sequence unconformably overlying crystalline Precambrian gneisses of the Canadian Shield. Since the impact, Devon Island has remained tectonically stable and Haughton remains well-preserved despite being subjected to several glaciations. The excellent preservation of the structure is largely due to the primarily cold and relatively dry environment that has existed in the Arctic since the Eocene [3]. Samples of crystalline material were collected from 36 sites within the impact breccia unit of the Haughton impact structure. These samples display a wide range of density and physical appearance. The type of shock effect(s) created depends upon the pressures and temperatures involved as well as the composition, density and material's location in the target. The samples found in the Haughton impact structure show a wide range of shock effects and thus were exposed to a variety of different conditions likely due to their in-situ positions relative to the impact. Polished thin sections

  11. Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory

    Science.gov (United States)

    Tavangar, Zahra; Hamadanian, Masood; Basharnavaz, Hadi

    2017-02-01

    In this paper, we study the effects of the configuration of two Al atoms doped into the unit cell of (7, 0) BNNTs, on their structural and electronic properties in solid state using density functional theory methods. Also, all possible configurations for Al double doped (7, 0) BNNT were investigated. The results showed that with Al doping, band gap decreased. Furthermore, an impurity state appears near the Fermi level when two Al atoms replace two boron atoms of adjacent layers. Contour plots of charge density distribution showed a protuberance surrounding N and B atoms adjacent to the substitute Al atoms.

  12. Probing Crystallinity of Graphene Samples via the Vibrational Density of States

    NARCIS (Netherlands)

    Jain, Sandeep K.; Juricic, Vladimir; Barkema, Gerard T.

    2015-01-01

    The purity of graphene samples is of crucial importance for their experimental and practical use. In this regard, the detection of the defects is of direct relevance. Here, we show that structural defects in graphene samples give rise to clear signals in the vibrational density of states (VDOS) at

  13. Ab initio modelling of boron related defects in amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Tiago A.; Torres, Vitor J.B. [Department of Physics, University of Aveiro, Campus Santiago, 3810-193 Aveiro (Portugal)

    2012-10-15

    We have modeled boron related point defects in amorphous silicon, using an ab initio method, the Density functional theory-pseudopotential code Aimpro. The boron atoms were embedded in 64 atom amorphous silicon cubic supercells. The calculations were performed using boron defects in 15 different supercells. These supercells were developed using a modified Wooten-Winer-Weaire bond switching mechanism. In average, the properties of the 15 supercells agree with the observed radial and bond angle distributions, as well the electronic and vibrational density of states and Raman spectra. In amorphous silicon it has been very hard to find real self-interstitials, since for almost all the tested configurations, the amorphous lattice relaxes overall. We found that substitutional boron prefers to be 4-fold coordinated. We find also an intrinsic hole-trap in the non-doped amorphous lattice, which may explain the low efficiency of boron doping. The local vibrational modes are, in average, higher than the correspondent crystalline values (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. High critical current densities in bulk MgB{sub 2} fabricated using amorphous boron

    Energy Technology Data Exchange (ETDEWEB)

    Muralidhar, Miryala; Kenta, Nozaki; Murakami, Masato [Superconducting Materials Laboratory, Department of Materials Science and Engineering, Shibaura Institute of Technology, Tokyo 135-8548 (Japan); Koblischka, Michael R. [Institute of Experimental Physics, Saarland University, P.O. Box 151150, 66041 Saarbruecken (Germany)

    2015-10-15

    We prepared bulk MgB{sub 2} from high-purity commercial powders of Mg metal (99.9% purity) and amorphous B (99% purity) powders using a single-step solid state reaction at 775 C for varying sintering duration from 1 to 10 h in pure argon atmosphere. X-ray diffraction analysis showed that all the samples were single phase MgB{sub 2}. The magnetization measurements confirmed a sharp superconducting transition with T{sub c,onset} at around 38.2-38.8 K. The critical current density (J{sub c}) values for the MgB{sub 2} samples produced at 1 h sintering time is the highest one in all processed materials here. Scanning electron microscopy analyses indicated that the sintering time has a crucial influence on the grain size. As a result, the highest J{sub c} value of 270 kA cm{sup -2} at 20 K and self-field was achieved in the sample produced at 775 C for 1 h. Our results clearly demonstrate that the optimization of the sintering conditions is essential to improve the bulk MgB{sub 2} performance. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. A computational investigation of boron-doped chromium and chromium clusters by density functional theory

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The geometries,stabilities and electronic properties of Crn and CrnB(n=2-9) clusters have been systematically investigated by density functional theory.The results suggest that the lowest energy structures for CrnB clusters can be obtained by substituting one Cr atom in Crn+1 clusters with B atom.The geometries of CrnB clusters are similar to that of Crn+1 clusters except for local structural distortion.The second-order difference and fragmentation energy show Cr4,Cr6,Cr8,Cr3B,Cr5B and Cr8B cluster are the most stable among these studied clusters.The impurity B increases the stabilities of chromium cluster.When B is doped on the Crn clusters,cluster geometry does dominate positive role in enhancing their stability.The doped B atom does not change the coupling way of the Cr site in Crn clusters,but breaks the symmetry and the Cr atoms are no longer equivalent.The doped B atom increases the total magnetic moments of Crn in most cases.

  16. Dependence of critical current density on crystalline direction in thin YBCO films

    DEFF Research Database (Denmark)

    Paturi, P.; Peurla, M.; Raittila, J.

    2005-01-01

    The dependence of critical current density (J(c)) on the angle between the current direction and the (100) direction in the ab-plane of thin YBCO films deposited on (001)-SrTiO3 from natiocrystalline and microcrystalline targets is studied using magneto-optical microscopy. In the films made from ...... indicating that in addition to linear defects also the twin boundaries are very important flux pinning sites. (c) 2005 Elsevier B.V. All rights reserved....

  17. Surface Roughness and Critical Exponent Analyses of Boron-Doped Diamond Films Using Atomic Force Microscopy Imaging: Application of Autocorrelation and Power Spectral Density Functions

    Science.gov (United States)

    Gupta, S.; Vierkant, G. P.

    2014-09-01

    The evolution of the surface roughness of growing metal or semiconductor thin films provides much needed information about their growth kinetics and corresponding mechanism. While some systems show stages of nucleation, coalescence, and growth, others exhibit varying microstructures for different process conditions. In view of these classifications, we report herein detailed analyses based on atomic force microscopy (AFM) characterization to extract the surface roughness and growth kinetics exponents of relatively low boron-doped diamond (BDD) films by utilizing the analytical power spectral density (PSD) and autocorrelation function (ACF) as mathematical tools. The machining industry has applied PSD for a number of years for tool design and analysis of wear and machined surface quality. Herein, we present similar analyses at the mesoscale to study the surface morphology as well as quality of BDD films grown using the microwave plasma-assisted chemical vapor deposition technique. PSD spectra as a function of boron concentration (in gaseous phase) are compared with those for samples grown without boron. We find that relatively higher boron concentration yields higher amplitudes of the longer-wavelength power spectral lines, with amplitudes decreasing in an exponential or power-law fashion towards shorter wavelengths, determining the roughness exponent ( α ≈ 0.16 ± 0.03) and growth exponent ( β ≈ 0.54), albeit indirectly. A unique application of the ACF, which is widely used in signal processing, was also applied to one-dimensional or line analyses (i.e., along the x- and y-axes) of AFM images, revealing surface topology datasets with varying boron concentration. Here, the ACF was used to cancel random surface "noise" and identify any spatial periodicity via repetitive ACF peaks or spatially correlated noise. Periodicity at shorter spatial wavelengths was observed for no doping and low doping levels, while smaller correlations were observed for relatively

  18. A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania

    Directory of Open Access Journals (Sweden)

    Sergei Manzhos

    2015-02-01

    Full Text Available We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101, rutile (110 and (B-TiO2 (001, as well as to the surface of amorphous (a- TiO2 is compared with the same computational setup. On all surfaces, bidentate configurations are identified as providing the strongest adsorption energy, Eads = −1.93, −2.49 and −1.09 eV for anatase, rutile and (B-TiO2, respectively. For monodentate configurations, the strongest Eads = −1.06, −1.11 and −0.86 eV for anatase, rutile and (B-TiO2, respectively. Multiple monodentate and bidentate configurations are identified on a-TiO2 with a distribution of adsorption energies and with the lowest energy configuration having stronger bonding than that of the crystalline counterparts, with Eads up to −4.92 eV for bidentate and −1.83 eV for monodentate adsorption. Amorphous TiO2 can therefore be used to achieve strong anchoring of organic molecules, such as dyes, that bind via a -COOH group. While the presence of the surface leads to a contraction of the band gap vs. the bulk, molecular adsorption caused no appreciable effect on the band structure around the gap in any of the systems.

  19. Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Fa-Jun, E-mail: Fajun.Ma@nus.edu.sg; Duttagupta, Shubham [Solar Energy Research Institute of Singapore (SERIS), National University of Singapore, 7 Engineering Drive 1, 117574 (Singapore); Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117576 (Singapore); Shetty, Kishan Devappa; Meng, Lei; Hoex, Bram; Peters, Ian Marius [Solar Energy Research Institute of Singapore (SERIS), National University of Singapore, 7 Engineering Drive 1, 117574 (Singapore); Samudra, Ganesh S. [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117576 (Singapore); Solar Energy Research Institute of Singapore (SERIS), National University of Singapore, 7 Engineering Drive 1, 117574 (Singapore)

    2014-11-14

    Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boron diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.

  20. Single and multiple scattering XAFS Debye-Waller factors for crystalline materials using periodic Density Functional Theory

    Energy Technology Data Exchange (ETDEWEB)

    Dimakis, N; Mion, T [Department of Physics and Geology, University of Texas-Pan American, Edinburg, TX 78539 (United States); Bunker, G, E-mail: dimakis@utpa.ed [Department of Biological Chemical and Physical Sciences, Illinois Institute of Technology, Chicago, IL 60616 (United States)

    2009-11-15

    We present an accurate and efficient technique for calculating thermal X-ray absorption fine structure (XAFS) Debye-Waller factors (DWFs) applicable to crystalline materials. Using Density Functional Theory on a 3x3x3 supercell pattern of MnO structure, under the nonlocal hybrid B3LYP functional paired with Gaussian local basis sets, we obtain the normal mode eigenfrequencies and eigenvectors; these parameters are in turn used to calculate single and multiple scattering XAFS DWFs. The DWFs obtained via this technique are temperature dependent expressions and can be used to substantially reduce the number of fitting parameters, when experimental spectra are fitted with a hypothetical structure. The size of the supercell size limits the R-space range that these parameters could be used. Therefore corresponding DWFs for paths outside of this range are calculated using the correlated Debye model. Our method is compared with prior cluster calculations and with corresponding values obtained from fitting experimental XAFS spectra on manganosite with simulated spectra.

  1. Starch with a slow digestion property produced by altering its chain length, branch density, and crystalline structure.

    Science.gov (United States)

    Ao, Zihua; Simsek, Senay; Zhang, Genyi; Venkatachalam, Mahesh; Reuhs, Bradley L; Hamaker, Bruce R

    2007-05-30

    The hypothesis of increasing the branch density of starch to reduce its digestion rate through partial shortening of amylopectin exterior chains and the length of amylose was investigated. Starch products prepared using beta-amylase, beta-amylase and transglucosidase, maltogenic alpha-amylase, and maltogenic alpha-amylase and transglucosidase showed significant reduction of rapidly digested starch by 14.5%, 29.0%, 19.8%, and 31.0% with a concomitant increase of slowly digested starch by 9.0%, 19.7%, 5.7%, and 11.0%, respectively. The resistant starch content increased from 5.1% to 13.5% in treated starches. The total contents of the prebiotics isomaltose, isomaltotriose, and panose (Isomaltooligosaccharides) were 2.3% and 5.5%, respectively, for beta-amylase/transglucosidase- and maltogenic alpha-amylase/transglucosidase-treated starches. The molecular weight distribution of enzyme-treated starches and their debranched chain length distributions, analyzed using high-performance size-exclusion chromatography with multiangle laser light scattering and refractive index detection (HPSEC-MALLS-RI) and HPSEC-RI, showed distinctly different patterns among starches with different enzyme treatments. A larger proportion of low molecular weight fractions appeared in starches treated additionally with transglucosidase. All enzyme-treated starches showed a mixture of B- and V-type X-ray diffraction patterns, and 1H NMR spectra showed a significant increase of alpha-1,6 linkages. Both the increase of the starch branch density and the crystalline structure in the treated starches likely contribute to their slow digestion property.

  2. Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and (13)C NMR Chemical Shift Tensors.

    Science.gov (United States)

    Bouzková, Kateřina; Babinský, Martin; Novosadová, Lucie; Marek, Radek

    2013-06-11

    An understanding of the role of intermolecular interactions in crystal formation is essential to control the generation of diverse crystalline forms which is an important concern for pharmaceutical industry. Very recently, we reported a new approach to interpret the relationships between intermolecular hydrogen bonding, redistribution of electron density in the system, and NMR chemical shifts (Babinský et al. J. Phys. Chem. A, 2013, 117, 497). Here, we employ this approach to characterize a full set of crystal interactions in a sample of anhydrous theobromine as reflected in (13)C NMR chemical shift tensors (CSTs). The important intermolecular contacts are identified by comparing the DFT-calculated NMR CSTs for an isolated theobromine molecule and for clusters composed of several molecules as selected from the available X-ray diffraction data. Furthermore, electron deformation density (EDD) and shielding deformation density (SDD) in the proximity of the nuclei involved in the proposed interactions are calculated and visualized. In addition to the recently reported observations for hydrogen bonding, we focus here particularly on the stacking interactions. Although the principal relations between the EDD and CST for hydrogen bonding (HB) and stacking interactions are similar, the real-space consequences are rather different. Whereas the C-H···X hydrogen bonding influences predominantly and significantly the in-plane principal component of the (13)C CST perpendicular to the HB path and the C═O···H hydrogen bonding modulates both in-plane components of the carbonyl (13)C CST, the stacking modulates the out-of-plane electron density resulting in weak deshielding (2-8 ppm) of both in-plane principal components of the CST and weak shielding (∼ 5 ppm) of the out-of-plane component. The hydrogen-bonding and stacking interactions may add to or subtract from one another to produce total values observed experimentally. On the example of theobromine, we demonstrate

  3. Microstructure and critical current density in MgB2 bulk made of 4.5 wt% carbon-coated boron

    Science.gov (United States)

    Higuchi, M.; Muralidhar, M.; Jirsa, M.; Murakami, M.

    2017-07-01

    Superconducting performance and its uniformity was studied in the single-step sintered MgB2 bulk prepared with 4.5 wt% of carbon in the carbon-encapsulated boron. The 20 mm in diameter MgB2 pellet was cut into several pieces from bottom to top and the microstructure, superconducting transition temperature (Tc onset), and critical current density at 20 K were studied. DC magnetization measurements showed a sharp superconducting transition with onset Tc at around 35.5 K in all positions. SEM analysis indicated a dispersion of grains between 200 and 300 nm in size, as the main pinning medium in this MgB2 superconductors. The critical current density at 20 K was quite uniform, around 330 kA/cm2 and 200 kA/cm2 at self-field and 1 T, respectively, for all measured positions. The results indicate that the carbon-encapsulated boron is very promising for production of high quality bulk MgB2 material for various industrial applications.

  4. Jaguar Procedures for Detonation Behavior of Explosives Containing Boron

    Science.gov (United States)

    Stiel, L. I.; Baker, E. L.; Capellos, C.

    2009-12-01

    The Jaguar product library was expanded to include boron and boron containing products by analysis of Available Hugoniot and static volumetric data to obtain constants of the Murnaghan relationships for the components. Experimental melting points were also utilized to obtain the constants of the volumetric relationships for liquid boron and boron oxide. Detonation velocities for HMX—boron mixtures calculated with these relationships using Jaguar are in closer agreement with literature values at high initial densities for inert (unreacted) boron than with the completely reacted metal. These results indicate that the boron does not react near the detonation front or that boron mixtures exhibit eigenvalue detonation behavior (as shown by some aluminized explosives), with higher detonation velocities at the initial points. Analyses of calorimetric measurements for RDX—boron mixtures indicate that at high boron contents the formation of side products, including boron nitride and boron carbide, inhibits the detonation properties of the formulation.

  5. Boron deposition from fused salts. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Smith, M.L.

    1980-08-01

    A partial evaluation of the feasibility of a process to electrodeposit pure coherent coatings of elemental boron from molten fluorides has been performed. The deposit produced was powdery and acicular, unless the fluoride melt was purified to have very low oxygen concentration. When the oxygen activity was reduced in the melt by addition of crystalline elemental boron, dense, amorphous boron deposit was produced. The boron deposits produced had cracks but were otherwise pure and dense and ranged up to 0.35 mm thick. Information derived during this project suggests that similar deposits might be obtained crack-free up to 1.00 mm thick by process modifications and improvements.

  6. Dietary boron does not affect tooth strength, micro-hardness, and density, but affects tooth mineral composition and alveolar bone mineral density in rabbits fed a high-energy diet.

    Science.gov (United States)

    Hakki, Sema S; SiddikMalkoc; Dundar, Niyazi; Kayis, Seyit Ali; Hakki, Erdogan E; Hamurcu, Mehmet; Baspinar, Nuri; Basoglu, Abdullah; Nielsen, Forrest H; Götz, Werner

    2015-01-01

    The objective of this study was to determine whether dietary boron (B) affects the strength, density and mineral composition of teeth and mineral density of alveolar bone in rabbits with apparent obesity induced by a high-energy diet. Sixty female, 8-month-old, New Zealand rabbits were randomly assigned for 7 months into five groups as follows: (1) control 1, fed alfalfa hay only (5.91 MJ/kg and 57.5 mg B/kg); (2) control 2, high energy diet (11.76 MJ and 3.88 mg B/kg); (3) B10, high energy diet + 10 mg B gavage/kg body weight/96 h; (4) B30, high energy diet + 30 mg B gavage/kg body weight/96 h; (5) B50, high energy diet + 50 mg B gavage/kg body weight/96 h. Maxillary incisor teeth of the rabbits were evaluated for compression strength, mineral composition, and micro-hardness. Enamel, dentin, cementum and pulp tissue were examined histologically. Mineral densities of the incisor teeth and surrounding alveolar bone were determined by using micro-CT. When compared to controls, the different boron treatments did not significantly affect compression strength, and micro-hardness of the teeth, although the B content of teeth increased in a dose-dependent manner. Compared to control 1, B50 teeth had decreased phosphorus (P) concentrations. Histological examination revealed that teeth structure (shape and thickness of the enamel, dentin, cementum and pulp) was similar in the B-treated and control rabbits. Micro CT evaluation revealed greater alveolar bone mineral density in B10 and B30 groups than in controls. Alveolar bone density of the B50 group was not different than the controls. Although the B treatments did not affect teeth structure, strength, mineral density and micro-hardness, increasing B intake altered the mineral composition of teeth, and, in moderate amounts, had beneficial effects on surrounding alveolar bone.

  7. Structural characterization of electrodeposited boron

    Indian Academy of Sciences (India)

    Ashish Jain; C Ghosh; T R Ravindran; S Anthonysamy; R Divakar; E Mohandas; G S Gupta

    2013-12-01

    Structural characterization of electrodeposited boron was carried out by using transmission electron microscopy and Raman spectroscopy. Electron diffraction and phase contrast imaging were carried out by using transmission electron microscopy. Phase identification was done based on the analysis of electron diffraction patterns and the power spectrum calculated from the lattice images from thin regions of the sample. Raman spectroscopic examination was carried out to study the nature of bonding and the allotropic form of boron obtained after electrodeposition. The results obtained from transmission electron microscopy showed the presence of nanocrystallites embedded in an amorphous mass of boron. Raman microscopic studies showed that amorphous boron could be converted to its crystalline form at high temperatures.

  8. Photo-induced density-of-states variation measured by DLTS method in intrinsic micro-crystalline silicon (i-μc-Si:H) films

    Science.gov (United States)

    Wang, J.; Sun, Q. S.; Liu, H. N.; He, Y. L.

    1987-06-01

    This paper advances a measurement and two calculations of a high-frequency DLTS method for the density-of-states g(E) of intrinsic micro-crystalline and amorphous silicon film. The method surmounts the difficulties of DLTS measurement of i-a-Si:H or i-μc-Si:H samples and applies the common high-frequency DLTS to it, while the temperature of measurement is extended below 77K. Following the method, we successfully observed the obvious increase of density-of-states produced by illumination.

  9. Boron supplementation in broiler diets

    Directory of Open Access Journals (Sweden)

    EJ Fassani

    2004-12-01

    Full Text Available Boron supplementation in broiler feed is not a routine practice. However, some reports suggest a positive effect of boron on performance. This study assessed the effects of boron supplementation on broiler performance. Diets were based on maize and soybean meal, using boric acid P.A. as boron source. Six supplementation levels (0, 30, 60, 90, 120 and 150 ppm were evaluated using 1,440 one-day old males housed at a density of 30 chickens in each of 48 experimental plots of 3m². A completely randomized block design was used with 8 replicates. Feed intake, weight gain and feed conversion were assessed in the periods from 1 to 7 days, 1 to 21 days and 1 to 42 days of age, and viability was evaluated for the total 42-day rearing period. No performance variable was affected by boron supplementation (p>0.05 in the period from 1 to 7 days. The regression analysis indicated an ideal level of 37.4 ppm of boron for weight gain from 1 to 21 days (p0.05, although feed intake was reduced linearly with increased boron levels (p0.05. Ash and calcium percentages in the tibias of broilers and viability in the total rearing period were not affected by boron supplementation (p>0.05.

  10. Monte carlo simulation of innovative neutron and photon shielding material composing of high density concrete, waste rubber, lead and boron carbide

    Science.gov (United States)

    Aim-O, P.; Wongsawaeng, D.; Phruksarojanakun, P.; Tancharakorn, S.

    2017-06-01

    High-density concrete exhibits high strength and can perform an important role of gamma ray attenuation. In order to upgrade this material’s radiation-shielding performance, hydrogen-rich material can be incorporated. Waste rubber from vehicles has high hydrogen content which is the prominent characteristic to attenuate neutron. The objective of this work was to evaluate the radiation-shielding properties of this composite material against neutron and photon radiations. Monte Carlo transport simulation was conducted to simulate radiation through the composite material. Am-241/Be was utilized for neutron source and Co-60 for photon source. Parameters of the study included volume percentages of waste rubber, lead and boron carbide and thickness of the shielding material. These designs were also fabricated and the radiation shielding properties were experimentally evaluated. The best neutron and gamma ray shielding material was determined to be high-density concrete mixed with 5 vol% crumb rubber and 5 vol% lead powder. This shielding material increased the neutron attenuation by 64% and photon attenuation by 68% compared to ordinary concrete. Also, increasing the waste rubber content to greater than 5% resulted in a decrease in the radiation attenuation. This innovative composite radiation shielding material not only benefits nuclear science and engineering applications, but also helps solve the environmental issue of waste rubber.

  11. Composite Reinforcement using Boron Nitride Nanotubes

    Science.gov (United States)

    2014-05-09

    Final 3. DATES COVERED (From - To) 11-Mar-2013 to 10-Mar-2014 4. TITLE AND SUBTITLE Composite Reinforcement using Boron Nitride Nanotubes...AVAILABILITY STATEMENT Approved for public release. 13. SUPPLEMENTARY NOTES 14. ABSTRACT Boron nitride nanotubes have been proposed as a...and titanium (Ti) metal clusters with boron nitride nanotubes (BNNT). First-principles density-functional theory plus dispersion (DFT-D) calculations

  12. Reactivity of boron- and nitrogen-doped carbon nanotubes functionalized by (Pt, Eu) atoms toward O2 and CO: A density functional study

    Science.gov (United States)

    Abdel Aal, S.

    2016-01-01

    The adsorption behavior and electronic properties of CO and O2 molecules at the supported Pt and Eu atoms on (5,5) armchair SWCNT have been systematically investigated within density functional theory (DFT). Fundamental aspects such as adsorption energy, natural bond orbital (NBO), charge transfer, frontier orbitals and the projected density of states (PDOS) are elucidated to analyze the adsorption properties of CO and O2 molecules. The results reveal that B- and N-doping CNTs can enhance the binding strength and catalytic activity of Pt (Eu) anchored on the doped-CNT, where boron-doping is more effective. The electronic structures of supported metal are strongly influenced by the presence of gases. After adsorption of CO and O2, the changes in binding energy, charge transfer and conductance may lead to the different response in the metal-doped CNT-based sensors. It is expected that these results could provide helpful information for the design and fabrication of the CO and O2 sensing devices. The high catalytic activity of Pt supported at doped-CNT toward the interaction with CO and O2 may be attributed to the electronic resonance particularly among Pt-5d, CO-2π* and O2-2π* antibonding orbitals. In contrast to the supported Eu at doped-CNT, the Eu atom becomes more positively charged, which leads to weaken the CO adsorption and promote the O2 adsorption, consequently enhancing the activity for CO oxidation and alleviating the CO poisoning of the europium catalysts. A notable orbital hybridization and electrostatic interaction between these two species in adsorption process being an evidence of strong interaction. The electronic structure of O2 adsorbed on Eu-doped CNT resembles that of O2-, therefore the transferred charge weakens the O-O bonds and facilitates the dissociation process, which is the precondition for the oxygen reduction reaction (ORR).

  13. A Metal and Base-Free Chemoselective Primary Amination of Boronic Acids Using Cyanamidyl/Arylcyanamidyl Radical as Aminating Species: Synthesis and Mechanistic Studies by Density Functional Theory.

    Science.gov (United States)

    Chatterjee, Nachiketa; Arfeen, Minhajul; Bharatam, Prasad V; Goswami, Avijit

    2016-06-17

    An efficient, metal and base-free, chemoselective synthesis of aryl-, heteroaryl-, and alkyl primary amines from the corresponding boronic acids has been achieved at ambient temperature mediated by [bis(trifluoroacetoxy)iodo]benzene (PIFA) and N-bromosuccinimide (NBS) using cyanamidyl/arylcyanamidyl radicals as the aminating species. The primary amine compounds were initially obtained as their corresponding ammonium trifluoroacetate salts which, on treatment with aq NaOH, provide the free amines. Finally, the primary amines were isolated through column chromatography over silica-gel using hexane-EtOAc solvent system as the eluent. The reactions are sufficiently fast, completing within 1 h. Quantum chemical calculations in combination with experimental observations validate that the ipso amination of substituted boronic acids involves the formation of cyanamidyl/arylcyanamidyl radical, followed by regiospecific interaction of its nitrile-N center with boron atom of the boronic acids, leading to chemoselective primary amination.

  14. Acoustic study of a linear low-density polyethylene film after modification of the crystalline structure by heating.

    Science.gov (United States)

    Tohmyoh, Hironori; Sakamoto, Yuhei

    2014-02-01

    We report on a hybrid microscopy technique that enables us to measure the acoustic properties of a thin polymer film together with an optical microscope image of the corresponding area. Linear low-density polyethylene films are heated to various temperatures and examined by the technique. Density of the film is increased by heating and its sound velocity is decreased compared with a film without heating. Also, spherulites can clearly be seen in the optical microscope image, supporting the thermal shrinkage of the film which can be detected by the present technique.

  15. First-principles study of crystalline and amorphous AlMgB{sub 14}-based materials

    Energy Technology Data Exchange (ETDEWEB)

    Ivashchenko, V. I.; Shevchenko, V. I., E-mail: shev@materials.kiev.ua [Institute of Problems of Material Science, National Academy of Science of Ukraine, Krzhyzhanosky Str. 3, 03142 Kyiv (Ukraine); Turchi, P. E. A. [Lawrence Livermore National Laboratory (L-352), P.O. Box 808, Livermore, California 94551 (United States); Veprek, S. [Department of Chemistry, Technical University Munich, Lichtenbergstrasse 4, D-85747 Garching (Germany); Leszczynski, Jerzy [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Gorb, Leonid [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Badger Technical Services, LLC, Vicksburg, Mississippi 39180 (United States); Hill, Frances [U.S. Army ERDC, Vicksburg, Mississippi 39180 (United States)

    2016-05-28

    We report first-principles investigations of crystalline and amorphous boron and M1{sub x}M2{sub y}X{sub z}B{sub 14−z} (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm{sup −1}, whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm{sup −1}. The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B{sub 12} units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

  16. Short-circuit current density imaging of crystalline silicon solar cells via lock-in thermography: Robustness and simplifications

    Energy Technology Data Exchange (ETDEWEB)

    Fertig, Fabian, E-mail: fabian.fertig@ise.fraunhofer.de; Greulich, Johannes; Rein, Stefan [Fraunhofer Institute for Solar Energy Systems ISE, Heidenhofstr. 2, D-79110 Freiburg (Germany)

    2014-11-14

    Spatially resolved determination of solar cell parameters is beneficial for loss analysis and optimization of conversion efficiency. One key parameter that has been challenging to access by an imaging technique on solar cell level is short-circuit current density. This work discusses the robustness of a recently suggested approach to determine short-circuit current density spatially resolved based on a series of lock-in thermography images and options for a simplified image acquisition procedure. For an accurate result, one or two emissivity-corrected illuminated lock-in thermography images and one dark lock-in thermography image have to be recorded. The dark lock-in thermography image can be omitted if local shunts are negligible. Furthermore, it is shown that omitting the correction of lock-in thermography images for local emissivity variations only leads to minor distortions for standard silicon solar cells. Hence, adequate acquisition of one image only is sufficient to generate a meaningful map of short-circuit current density. Beyond that, this work illustrates the underlying physics of the recently proposed method and demonstrates its robustness concerning varying excitation conditions and locally increased series resistance. Experimentally gained short-circuit current density images are validated for monochromatic illumination in comparison to the reference method of light-beam induced current.

  17. Mechanical and physical properties of modern boron fibers

    Science.gov (United States)

    Dicarlo, J. A.

    1978-01-01

    Measurements of the Young's modulus, flexural modulus, shear modulus and Poisson's ratio for boron fibers prepared by modern deposition techniques are reported. Physical properties of the boron fibers, including density, thermal expansion and resistance, are also surveyed. In addition, prediction of the total deformation strain in an anelastic boron fiber subjected to tensile or flexural stress is discussed.

  18. A density functional study of (17)O, (14)N and (2)H electric field gradient tensors in the real crystalline structure of alpha-glycine.

    Science.gov (United States)

    Behzadi, Hadi; Hadipour, Nasser L; Mirzaei, Mahmoud

    2007-01-01

    A density functional theory (DFT) study was carried out to calculate (17)O, (14)N and (2)H electric field gradient (EFG) tensors in accurate neutron diffraction structures of alpha-glycine at 288 and 427 K. B3LYP is the used method and 6-311+G(*) and 6-311++G(**) are the basis sets in the calculations of EFG tensors at the sites of (17)O, (14)N and (2)H nuclei in the monomer and the octameric cluster of alpha-glycine at two temperatures. Quadrupole coupling constants and asymmetry parameters are the converted parameters of calculated EFG tensors to experimentally measurable ones. The calculated results of monomer and the target molecule in octameric cluster reveal that hydrogen-bonding interactions play an important role in the crystalline structure of alpha-glycine where the results of the target molecule in octameric cluster are in good agreement with the experiments.

  19. Computational Evidence for the Smallest Boron Nanotube

    Institute of Scientific and Technical Information of China (English)

    Xian Jie LIN; Dong Ju ZHANG; Cheng Bu LIU

    2006-01-01

    The structure of boron nanotubes (BNTs) was found not to be limited to hexagonal pyramidal structures. Based on density functional theory calculations we provided evidence for the smallest boron nanotube, a geometrical analog of the corresponding carbon nanotube. As shown by our calculations, the smallest BNT possesses highly structural, dynamical, and thermal stability, which should be interest for attempts at its synthesis.

  20. Dislocation density analyses of multi-crystalline silicon during the directional solidification process with bottom grooved furnace

    Science.gov (United States)

    Karuppasamy, P.; Srinivasan, M.; Aravinth, K.; Ramasamy, P.

    2016-05-01

    A transient global model was used to investigate the effect of bottom grooved furnace upon the directional solidification (DS) process of multicrystalline silicon (mc-Si). The computations were carried out on a 2D axisymmetric model using the finite volume method. The temperature distribution, crystal-melt (c-m) interface and dislocation density were simulated. The modified heat exchanger block system was used for controlling the temperature gradient at the bottom of the crucible. The obtained results shows convex shape of the c-m interface. The dislocation density was reduced while using the bottom grooved furnace. This work was carried out for the different groove of radius 30 and 60 mm of the heat exchanger block.

  1. Boron removal from geothermal waters by electrocoagulation

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey)], E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey); Yilmaz, M. Tolga; Paluluoglu, Cihan [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey)

    2008-05-01

    Most of the geothermal waters in Turkey contain extremely high concentration of boron when they are used for irrigation. The use of geothermal waters for irrigation can results in excess amount deposition of boron in soil. On the other hand, a minimal boron concentration is required for irrigational waters. In this study, electrocoagulation (EC) was selected as a treatment process for the removal of boron from thermal waters obtained from Ilica-Erzurum in Turkey. Current density (CD), pH of solution and temperature of solution were selected as operational parameters. The results showed that boron removal efficiency increased from pH 4.0 to 8.0 and decreased at pH 10.0. Although boron removal efficiency was highest at pH 8.0, energy consumption was very high at this pH value compared to other pH intervals. Boron removal efficiency reached to 95% with increasing current density from 1.5 to 6.0 mA/cm{sup 2}, but energy consumption was also increased in this interval. At higher temperatures of solution, such as 313 and 333 K, boron removal efficiency increased. At optimum conditions, boron removal efficiency in geothermal water reached up to 95%.

  2. The noble gases adsorption on boron-rich boron nitride nanotubes: A theoretical investigation

    Science.gov (United States)

    Wang, Chong; Guo, Chen

    2017-07-01

    In this work, using density functional theory (DFT) calculations, we have systematically explored the noble gases (Ng = He, Ne, Ar, Kr) adsorption on boron-rich boron nitride nanotubes (BNNTs) surface with antisite boron atom. One or two nitrogen atoms of BNNTs are replaced by boron atoms, which are considered as boron-rich BNNTs for Ng adsorption. It is found that the boron-rich BNNTs can adsorb Ng in exothermic process, and the adsorption energies increase in order from He to Kr. The quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCIs) calculations show that the interactions between boron-rich BNNTs and Ng are noncovalent, and the interactions for Ar and Kr are obviously larger than those for He and Ne. The charge transfer from Ng to boron-rich BNNTs and the changes of energy gap caused by Ng adsorption demonstrate that the boron-rich BNNTs are expected to become the Ng adsorption and sensing materials. Moreover, the 2B-BNNTs do not decrease the Ng adsorption interactions on boron-rich BNNTs, compared with 1B-BNNTs. It is expected that the present results will provide a useful guide to develop novel boron nitride nanomaterials for storage and application of Ng.

  3. Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of)], E-mail: moradian.rostam@gmail.com

    2008-11-19

    By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

  4. Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes.

    Science.gov (United States)

    Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

    2008-11-19

    By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

  5. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Science.gov (United States)

    Sato, Shunsuke A.; Taniguchi, Yasutaka; Shinohara, Yasushi; Yabana, Kazuhiro

    2015-12-01

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  6. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

    2015-12-14

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  7. Real-time propagation time-dependent density functional theory study on the ring-opening transformation of the photoexcited crystalline benzene

    Science.gov (United States)

    Tateyama, Yoshitaka; Oyama, Norihisa; Ohno, Takahisa; Miyamoto, Yoshiyuki

    2006-03-01

    Mechanism of the ring-opening transformation in the photoexcited crystalline benzene is investigated on the femtosecond scale by a computational method based on the real-time propagation (RTP) time-dependent density functional theory (TDDFT). The excited-state dynamics of the benzene molecule is also examined not only for the distinction between the intrinsic properties of molecule and the intermolecular interaction but for the first validation using the vibration frequencies for the RTP-TDDFT approach. It is found that the vibration frequencies of the excited and ground states in the molecule are well reproduced. This demonstrates that the present method of time evolution using the Suzuki-Trotter-type split operator technique starting with the Franck-Condon state approximated by the occupation change of the Kohn-Sham orbitals is adequately accurate. For the crystalline benzene, we carried out the RTP-TDDFT simulations for two typical pressures. At both pressures, large swing of the C-H bonds and subsequent twist of the carbon ring occurs, leading to tetrahedral (sp3-like) C-H bonding. The ν4 and ν16 out-of-plane vibration modes of the benzene molecule are found mostly responsible for these motions, which is different from the mechanism proposed for the thermal ring-opening transformation occurring at higher pressure. Comparing the results between different pressures, we conclude that a certain increase of the intermolecular interaction is necessary to make seeds of the ring opening (e.g., radical site formation and breaking of the molecular character) even with the photoexcitation, while the hydrogen migration to fix them requires more free volume, which is consistent with the experimental observation that the transformation substantially proceeds on the decompression.

  8. Characterization of boron carbide nanoparticles prepared by a solid state thermal reaction

    Science.gov (United States)

    Chang, B.; Gersten, B. L.; Szewczyk, S. T.; Adams, J. W.

    2007-01-01

    The production of boron carbide (B4C) nanoparticles was investigated in a conventional high temperature furnace reactor. The reaction was carried out by heating a mixture of amorphous carbon and amorphous boron at 1550 °C to efficiently obtain a quantity of B4C. Scanning electron microscopy studies showed the average size of B4C particles was 200 nm, ranging from 50 nm to 350 nm. X-ray diffraction transmission electron microscopy and electron diffraction studies indicated that the prepared nanoparticles were crystalline B4C with a high density twin structure. High resolution transmission electron microscopy and selected area diffraction were also used to further characterize the structure of the prepared B4C particles, while energy dispersive spectroscopy and electron energy loss spectroscopy were used to determine the stoichiometry of the product. A solid state diffusion reaction mechanism is proposed.

  9. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

    Science.gov (United States)

    Mannix, Andrew J.; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D.; Alducin, Diego; Myers, Benjamin D.; Liu, Xiaolong; Fisher, Brandon L.; Santiago, Ulises; Guest, Jeffrey R.; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R.; Hersam, Mark C.; Guisinger, Nathan P.

    2016-01-01

    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes.Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. PMID:26680195

  10. Evidence of amorphisation of B4C boron carbide under slow, heavy ion irradiation

    Science.gov (United States)

    Gosset, D.; Miro, S.; Doriot, S.; Victor, G.; Motte, V.

    2015-12-01

    Boron carbide is widely used either as armor-plate or neutron absorber. In both cases, a good structural stability is required. However, a few studies have shown amorphisation may occur in severe conditions. Hard impacts lead to the formation of amorphous bands. Some irradiations in electronic regime with H or He ions have also shown amorphisation of the material. Most authors however consider the structure is not drastically affected by irradiations in the ballistic regime. Here, we have irradiated at room temperature dense boron carbide pellets with Au 4 MeV ions, for which most of the damage is in the ballistic regime. This study is part of a program devoted to the behavior of boron carbide under irradiation. Raman observations have been performed after the irradiations together with transmission electron microscopy (TEM). Raman observations show a strong structural damage at moderate fluences (1014/cm2, about 0.1 dpa), in agreement with previous studies. On the other hand, TEM shows the structure remains crystalline up to 1015/cm2 then partially amorphises. The amorphisation is heterogeneous, with the formation of nanometric amorphous zones with increasing density. It then appears short range and long range disorder occurs at quite different damage levels. Further experiments are in progress aiming at studying the structural stability of boron carbide and isostructural materials (α-B, B6Si,…).

  11. Bonding in boron: building high-pressure phases from boron sheets

    Energy Technology Data Exchange (ETDEWEB)

    Kunstmann, Jens [Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology (Germany); Boeri, Lilia [Max Planck Institute for Solid State Research, Stuttgart (Germany); Kortus, Jens [Institute for Theoretical Physics, TU Bergakademie Freiberg (Germany)

    2010-07-01

    We present the results of a study of the high pressure phase diagram of elemental boron, using full-potential density functional calculations. We show that at high pressures (P > 100 GPa) boron crystallizes in quasi-layered bulk phases, characterized by in-plane multicenter bonds and out-of-plane unidimensional sigma bonds. These structures are all metallic, in contrast to the low-pressure icosahedral ones, which are semiconducting. We show that the structure and bonding of layered bulk phases can be easily described in terms of single puckered boron sheets. Our results bridge the gap between boron nanostructures and bulk phases.

  12. High quality boron-doped epitaxial layers grown at 200°C from SiF4/H2/Ar gas mixtures for emitter formation in crystalline silicon solar cells

    Science.gov (United States)

    Léal, Ronan; Haddad, Farah; Poulain, Gilles; Maurice, Jean-Luc; Roca i Cabarrocas, Pere

    2017-02-01

    Controlling the doping profile in solar cells emitter and front/back surface field is mandatory to reach high efficiencies. In the current state of the art, these doped layers are made by dopant diffusion at around 900°C, which implies potential temperature induced damages in the c-Si absorber and for which a precise control of doping is difficult. An alternative solution based on boron-doped epitaxial silicon layers grown by plasma-enhanced chemical vapor deposition (PECVD) from 200°C using SiF4/H2/Ar/B2H6 chemistry is reported. The structural properties of the doped and undoped epitaxial layers were assessed by spectroscopic ellipsometry (SE), high resolution transmission electron microscopy (HR-TEM) and X-ray diffraction (XRD). The incorporation of boron has been studied via plasma profiling time of flight mass spectrometry (PP-TOFMS) and secondary ion mass spectrometry (SIMS) measurements. The boron-doped epitaxial layers revealed excellent structural and electrical properties even for high carrier concentrations (>1019cm-3). Sheet resistances between 100 and 130 Ω/sq can been obtained depending on the thickness and the doping concentration, which is within the range of targeted values for emitters in c-Si solar cells. Electrochemical capacitance voltage (ECV) revealed a uniform doping profile around 3.1019 cm-3 and by comparing with SIMS measurement a doping efficiency around 50% has been found.

  13. High quality boron-doped epitaxial layers grown at 200°C from SiF4/H2/Ar gas mixtures for emitter formation in crystalline silicon solar cells

    Directory of Open Access Journals (Sweden)

    Ronan Léal

    2017-02-01

    Full Text Available Controlling the doping profile in solar cells emitter and front/back surface field is mandatory to reach high efficiencies. In the current state of the art, these doped layers are made by dopant diffusion at around 900°C, which implies potential temperature induced damages in the c-Si absorber and for which a precise control of doping is difficult. An alternative solution based on boron-doped epitaxial silicon layers grown by plasma-enhanced chemical vapor deposition (PECVD from 200°C using SiF4/H2/Ar/B2H6 chemistry is reported. The structural properties of the doped and undoped epitaxial layers were assessed by spectroscopic ellipsometry (SE, high resolution transmission electron microscopy (HR-TEM and X-ray diffraction (XRD. The incorporation of boron has been studied via plasma profiling time of flight mass spectrometry (PP-TOFMS and secondary ion mass spectrometry (SIMS measurements. The boron-doped epitaxial layers revealed excellent structural and electrical properties even for high carrier concentrations (>1019cm-3. Sheet resistances between 100 and 130 Ω/sq can been obtained depending on the thickness and the doping concentration, which is within the range of targeted values for emitters in c-Si solar cells. Electrochemical capacitance voltage (ECV revealed a uniform doping profile around 3.1019 cm-3 and by comparing with SIMS measurement a doping efficiency around 50% has been found.

  14. Synthesis and characterization of ammonium phosphate fertilizers with boron

    Directory of Open Access Journals (Sweden)

    ANGELA MAGDA

    2010-07-01

    Full Text Available The concentration of boron, an essential micronutrient for plants, presents a narrow range between deficiency and toxicity. In order to provide the boron requirement for plants, and to avoid toxicity problems, boron compounds are mixed with basic fertilizers. Sodium borate pentahydrate was used as a boron source. Ammonium orthophosphates fertilizers with boron were prepared by neutralizing phosphoric acid with ammonia and addition of variable amounts of sodium tetraborate pentahydrate to the reaction mixture at a NH3:H3PO4 molar ratio of 1.5. The fertilizers obtained with boron contents ranging from 0.05 to 1 % (w/w were fully characterized by chemical analysis, thermal analysis, X-ray diffraction and infrared spectrophotometry. The studies showed that up to 500 °C, regardless of the boron content, no significant changes concerning thermal stability and nutritional properties occurred. Above 500 °C, an increase of thermal stability with an increase of the boron content was observed. X-Ray diffraction of a heat-treated sample containing 5 % (w/w boron indicated the appearance of boron orthophosphate, BPO4, as a new crystalline phase, and the disappearance of the previous structures above 500 °C, which explains the increase in thermal stability.

  15. Thermal conductivity of boron carbides

    Science.gov (United States)

    Wood, C.; Emin, D.; Gray, P. E.

    1985-01-01

    Knowledge of the thermal conductivity of boron carbide is necessary to evaluate its potential for high-temperature thermoelectric energy conversion applications. Measurements have been conducted of the thermal diffusivity of hot-pressed boron carbide BxC samples as a function of composition (x in the range from 4 to 9), temperature (300-1700 K), and temperature cycling. These data, in concert with density and specific-heat data, yield the thermal conductivities of these materials. The results are discussed in terms of a structural model that has been previously advanced to explain the electronic transport data. Some novel mechanisms for thermal conduction are briefly discussed.

  16. Boron Nitride Nanotubes

    Science.gov (United States)

    Smith, Michael W. (Inventor); Jordan, Kevin (Inventor); Park, Cheol (Inventor)

    2012-01-01

    Boron nitride nanotubes are prepared by a process which includes: (a) creating a source of boron vapor; (b) mixing the boron vapor with nitrogen gas so that a mixture of boron vapor and nitrogen gas is present at a nucleation site, which is a surface, the nitrogen gas being provided at a pressure elevated above atmospheric, e.g., from greater than about 2 atmospheres up to about 250 atmospheres; and (c) harvesting boron nitride nanotubes, which are formed at the nucleation site.

  17. Boron nitride composites

    Energy Technology Data Exchange (ETDEWEB)

    Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

    2017-02-21

    According to one embodiment, a composite product includes: a matrix material including hexagonal boron nitride and one or more borate binders; and a plurality of cubic boron nitride particles dispersed in the matrix material. According to another embodiment, a composite product includes: a matrix material including hexagonal boron nitride and amorphous boron nitride; and a plurality of cubic boron nitride particles dispersed in the matrix material.

  18. X-ray diffraction study of boron produced by pyrolysis of boron tribromide

    Science.gov (United States)

    Rosenberg, David

    formation are not fully understood or agreed upon in the literature. In this research, the method of pyrolysis of boron tribromide (hydrogen reduction of boron tribromide) was used to deposit boron on a tantalum filament. The goal was to refine this method, or potentially use it in combination with a second method (amorphous boron crystallization), to the point where it is possible to grow large, high purity alpha-rhombohedral boron crystals with consistency. A pyrolysis apparatus was designed and built, and a number of trials were run to determine the conditions (reaction temperature, etc.) necessary for alpha-rhombohedral boron production. This work was focused on the x-ray diffraction analysis of the boron deposits; x-ray diffraction was performed on a number of samples to determine the types of boron (and other compounds) formed in each trial and to guide the choices of test conditions for subsequent trials. It was found that at low reaction temperatures (in the range of around 830-950 °C), amorphous boron was the primary form of boron produced. Reaction temperatures in the range of around 950-1000 °C yielded various combinations of crystalline boron and amorphous boron. In the first trial performed at a temperature of 950 °C, a mix of amorphous boron and alpha-rhombohedral boron was formed. Using a scanning electron microscope, it was possible to see small alpha-rhombohedral boron crystals (on the order of ~1 micron in size) embedded in the surface of the deposit. In subsequent trials carried out at reaction temperatures in the range of 950 °C -- 1000 °C, it was found that various combinations of alpha-rhombohedral boron, beta-rhombohedral boron, and amorphous boron were produced; the results tended to be unpredictable (alpha-rhombohedral boron was not produced in every trial), and the factors leading to success/failure were difficult to pinpoint. These results illustrate how sensitive of a process producing alpha-rhombohedral boron can be, and indicate that

  19. Hollow boron nitride nanospheres as boron reservoir for prostate cancer treatment

    Science.gov (United States)

    Li, Xia; Wang, Xiupeng; Zhang, Jun; Hanagata, Nobutaka; Wang, Xuebin; Weng, Qunhong; Ito, Atsuo; Bando, Yoshio; Golberg, Dmitri

    2017-01-01

    High global incidence of prostate cancer has led to a focus on prevention and treatment strategies to reduce the impact of this disease in public health. Boron compounds are increasingly recognized as preventative and chemotherapeutic agents. However, systemic administration of soluble boron compounds is hampered by their short half-life and low effectiveness. Here we report on hollow boron nitride (BN) spheres with controlled crystallinity and boron release that decrease cell viability and increase prostate cancer cell apoptosis. In vivo experiments on subcutaneous tumour mouse models treated with BN spheres demonstrated significant suppression of tumour growth. An orthotopic tumour growth model was also utilized and further confirmed the in vivo anti-cancer efficacy of BN spheres. Moreover, the administration of hollow BN spheres with paclitaxel leads to synergetic effects in the suppression of tumour growth. The work demonstrates that hollow BN spheres may function as a new agent for prostate cancer treatment.

  20. Convert Graphene Sheets to Boron Nitride and Boron Nitride-Carbon Sheets via a Carbon-Substitution-Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Han, W.; Yu, H.-G.; Liu. Z.

    2011-05-16

    Here we discuss our synthesis of highly crystalline pure boron nitride (BN) and BN-carbon (BN-C) sheets by using graphene sheets as templates via a carbon-substitution reaction. Typically, these sheets are several micrometers wide and have a few layers. The composition ratios of BN-C sheets can be controlled by the post-treatment (remove carbon by oxidation) temperature. We also observed pure BN and BN-C nanoribbons. We characterized the BN-C sheets via Raman spectroscopy and density functional theory calculations. The results reveal that BN-C sheets with an armchair C-BN chain, and embedded C{sub 2} or C{sub 6} units in BN-dominated regions energetically are the most favorable.

  1. First principles studies of extrinsic and intrinsic defects in boron nitride nanotubes

    CSIR Research Space (South Africa)

    Mashapa, MG

    2012-10-01

    Full Text Available Spin polarized density functional theory has been used to investigate the structural stability and electronic properties of extrinsic and intrinsic defects in boron nitride nanotubes. Carbon substitutional defects under nitrogen rich and boron...

  2. Methods of forming boron nitride

    Science.gov (United States)

    Trowbridge, Tammy L; Wertsching, Alan K; Pinhero, Patrick J; Crandall, David L

    2015-03-03

    A method of forming a boron nitride. The method comprises contacting a metal article with a monomeric boron-nitrogen compound and converting the monomeric boron-nitrogen compound to a boron nitride. The boron nitride is formed on the same or a different metal article. The monomeric boron-nitrogen compound is borazine, cycloborazane, trimethylcycloborazane, polyborazylene, B-vinylborazine, poly(B-vinylborazine), or combinations thereof. The monomeric boron-nitrogen compound is polymerized to form the boron nitride by exposure to a temperature greater than approximately 100.degree. C. The boron nitride is amorphous boron nitride, hexagonal boron nitride, rhombohedral boron nitride, turbostratic boron nitride, wurzite boron nitride, combinations thereof, or boron nitride and carbon. A method of conditioning a ballistic weapon and a metal article coated with the monomeric boron-nitrogen compound are also disclosed.

  3. Methods of forming boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Trowbridge, Tammy L; Wertsching, Alan K; Pinhero, Patrick J; Crandall, David L

    2015-03-03

    A method of forming a boron nitride. The method comprises contacting a metal article with a monomeric boron-nitrogen compound and converting the monomeric boron-nitrogen compound to a boron nitride. The boron nitride is formed on the same or a different metal article. The monomeric boron-nitrogen compound is borazine, cycloborazane, trimethylcycloborazane, polyborazylene, B-vinylborazine, poly(B-vinylborazine), or combinations thereof. The monomeric boron-nitrogen compound is polymerized to form the boron nitride by exposure to a temperature greater than approximately 100.degree. C. The boron nitride is amorphous boron nitride, hexagonal boron nitride, rhombohedral boron nitride, turbostratic boron nitride, wurzite boron nitride, combinations thereof, or boron nitride and carbon. A method of conditioning a ballistic weapon and a metal article coated with the monomeric boron-nitrogen compound are also disclosed.

  4. Safety Assessment of Boron Nitride as Used in Cosmetics.

    Science.gov (United States)

    Fiume, Monice M; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

    2015-01-01

    The Cosmetic Ingredient Review Expert Panel (Panel) assessed the safety of boron nitride which functions in cosmetics as a slip modifier (ie, it has a lubricating effect). Boron nitride is an inorganic compound with a crystalline form that can be hexagonal, spherical, or cubic; the hexagonal form is presumed to be used in cosmetics. The highest reported concentration of use of boron nitride is 25% in eye shadow formulations. Although boron nitride nanotubes are produced, boron nitride is not listed as a nanomaterial used in cosmetic formulations. The Panel reviewed available chemistry, animal data, and clinical data and concluded that this ingredient is safe in the present practices of use and concentration in cosmetic formulations.

  5. The NMR response of boroxol rings: a density functional theory study.

    Science.gov (United States)

    Zwanziger, Josef W

    2005-01-01

    Cluster models of boron oxide glasses are studied computationally using density functional theory. It is shown that the isotropic chemical shielding of boron in boroxol rings is about 5 ppm less than for boron in non-ring BO3/2 units, and that the quadrupole coupling in ring sites is about 0.1 MHz larger than in non-ring sites, confirming assignments made in glasses and crystalline model compounds. The chemical shielding anisotropy of these sites is computed and shown to be in agreement with recent experimental measurements. Furthermore, it is shown that the reason for the different responses is not the co-planarity of BO3/2 groups bound in rings, but rather the contraction in the B-O-B bond angle from about 134 degrees in relaxed structures to 120 degrees as found in rings.

  6. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey)], E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey)

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  7. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution.

    Science.gov (United States)

    Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  8. The use of amorphous boron powder enhances mechanical alloying in soft magnetic FeNbB alloy: A magnetic study

    Energy Technology Data Exchange (ETDEWEB)

    Ipus, J. J.; Blazquez, J. S.; Franco, V.; Conde, A. [Dpto. Fisica de la Materia Condensada, ICMSE-CSIC, Universidad de Sevilla, P.O. Box 1065, 41080 Sevilla (Spain)

    2013-05-07

    Saturation magnetization and magnetic anisotropy have been studied during mechanical alloying of Fe{sub 75}Nb{sub 10}B{sub 15} alloys prepared using crystalline and commercial amorphous boron. The evolution of saturation magnetization indicates a more efficient dissolution of boron into the matrix using amorphous boron, particularly for short milling times. The magnetization of the crystalline phase increases as boron is incorporated into this phase. Two milling time regimes can be used to describe the evolution of magnetic anisotropy: a first regime governed by microstrains and a second one mainly governed by crystal size and amorphous fraction.

  9. Boron nitride converted carbon fiber

    Science.gov (United States)

    Rousseas, Michael; Mickelson, William; Zettl, Alexander K.

    2016-04-05

    This disclosure provides systems, methods, and apparatus related to boron nitride converted carbon fiber. In one aspect, a method may include the operations of providing boron oxide and carbon fiber, heating the boron oxide to melt the boron oxide and heating the carbon fiber, mixing a nitrogen-containing gas with boron oxide vapor from molten boron oxide, and converting at least a portion of the carbon fiber to boron nitride.

  10. Boron-doped MnTe semiconductor-sensitized ZnO solar cells

    Indian Academy of Sciences (India)

    Auttasit Tubtimtae; Suwanna Sheangliw; Kritsada Hongsith; Supab Choopun

    2014-10-01

    We studied the photovoltaic performance of boron-doped MnTe semiconductor-sensitized solar cells (B-doped MnTe SSCs). The B-doped MnTe semiconductor was grown on ZnO using two stages of the successive ionic layer adsorption and reaction (SILAR) technique. The two phases of B-doped semiconductor nanoparticles (NPs), i.e. MnTe and MnTe2 were observed with a diameter range of approximately 15–30 nm. The result of the energy conversion efficiency of the sample with boron doping was superior compared to that of an undoped sample, due to the substantial change in the short-circuit current density and the open-circuit voltage. In addition, plots of ( ℎ )2 vs ℎ with band gaps of 1.30 and 1.27 eV were determined for the undoped and B-doped MnTe NPs, respectively. It can be noted that the boron doping effects with the change in the band gap and lead to an improvement in the crystalline quality and also intimate contact between the larger sizes of MnTe NPs. Hence, a noticeably improved photovoltaic performance resulted. However, this kind of semiconductor sensitizer can be further extended by experiments on yielding a higher power conversion efficiency and greater stability of the device.

  11. Conducting Boron Sheets Formed by the Reconstruction of the α-Boron (111) Surface

    Science.gov (United States)

    Amsler, Maximilian; Botti, Silvana; Marques, Miguel A. L.; Goedecker, Stefan

    2013-09-01

    Systematic ab initio structure prediction was applied for the first time to predict low energy surface reconstructions by employing the minima hopping method on the α-boron (111) surface. Novel reconstruction geometries were identified and carefully characterized in terms of structural and electronic properties. Our calculations predict the formation of a planar, monolayer sheet at the surface, which is responsible for conductive surface states. Furthermore, the isolated boron sheet is shown to be the ground state 2D structure in vacuum at a hole density of η=1/5 and is therefore a potential candidate as a precursor for boron nanostructures.

  12. Probing Field Emission from Boron Carbide Nanowires

    Institute of Scientific and Technical Information of China (English)

    TIAN Ji-Fa; GAO Hong-Jun; BAO Li-Hong; WANG Xing-Jun; HUI Chao; LIU Fei; LI Chen; SHEN Cheng-Min; WANG Zong-Li; GU Chang-Zhi

    2008-01-01

    High density boron carbide nanowires are grown by an improved carbon thermal reduction technique. Transmission electron microscopy and electron energy lose spectroscopy of the sample show that the synthesized nanowires are B4 C with good crystallization. The field emission measurement for an individual boron nanowire is performed by using a Pt tip installed in the focused ion beam system. A field emission current with enhancement factor of 106 is observed and the evolution process during emission is also carefully studied. Furthermore, a two-step field emission with stable emission current density is found from the high-density nanowire film. Our results together suggest that boron carbide nanowires are promising candidates for electron emission nanodevices.

  13. Vacancy complexes in carbon and boron nitride nanotubes

    CSIR Research Space (South Africa)

    Mashapa, MG

    2012-10-01

    Full Text Available The effect of divacancies on the stability, structural and electronic properties of carbon and boron nitride nanotubes is studied using the ab initio density functional method. VBBN is more stable in the boron-rich and less stable in the nitrogen...

  14. Amorphisation of boron carbide under slow heavy ion irradiation

    Science.gov (United States)

    Gosset, D.; Miro, S.; Doriot, S.; Moncoffre, N.

    2016-08-01

    Boron carbide B4C is widely used as a neutron absorber in nuclear plants. Most of the post-irradiation examinations have shown that the structure of the material remains crystalline, in spite of very high atomic displacement rates. Here, we have irradiated B4C samples with 4 MeV Au ions with different fluences at room temperature. Transmission electron microscopy (TEM) and Raman spectroscopy have been performed. The Raman analyses show a high structural disorder at low fluence, around 10-2 displacements per atoms (dpa). However, the TEM observations show that the material remains crystalline up to a few dpa. At high fluence, small amorphous areas a few nanometers large appear in the damaged zone but the long range order is preserved. Moreover, the size and density of the amorphous zones do not significantly grow when the damage increases. On the other hand, full amorphisation is observed in the implanted zone at a Au concentration of about 0.0005. It can be inferred from those results that short range and long range damages arise at highly different fluences, that heavy ions implantation has drastic effects on the structure stability and that in this material self-healing mechanisms are active in the damaged zone.

  15. Bietti's Crystalline Dystrophy

    Science.gov (United States)

    ... Dystrophy > Facts About Bietti's Crystalline Dystrophy Facts About Bietti's Crystalline Dystrophy This information was developed by the ... is the best person to answer specific questions. Bietti’s Crystalline Dystrophy Defined What is Bietti’s Crystalline Dystrophy? ...

  16. Boron carbide coating deposition on tungsten substrates from atomic fluxes of boron and carbon

    Science.gov (United States)

    Sadovskiy, Y.; Begrambekov, L.; Ayrapetov, A.; Gretskaya, I.; Grunin, A.; Dyachenko, M.; Puntakov, N.

    2016-09-01

    A device used for both coating deposition and material testing is presented in the paper. By using lock chambers, sputtering targets are easily exchanged with sample holder thus allowing testing of deposited samples with high power density electron or ion beams. Boron carbide coatings were deposited on tungsten samples. Methods of increasing coating adhesion are described in the paper. 2 μm boron carbide coatings sustained 450 heating cycles from 100 to 900 C. Ion beam tests have shown satisfactory results.

  17. Optical properties of bulk semiconductors and graphene/boron nitride: The Bethe-Salpeter equation with derivative discontinuity-corrected density functional energies

    Science.gov (United States)

    Yan, Jun; Jacobsen, Karsten W.; Thygesen, Kristian S.

    2012-07-01

    We present an efficient implementation of the Bethe-Salpeter equation (BSE) for optical properties of materials in the projector augmented wave method Grid-based projector-augmented wave method (GPAW). Single-particle energies and wave functions are obtained from the Gritsenko, Leeuwen, Lenthe, and Baerends potential [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.51.1944 51, 1944 (1995)] with the modifications from Kuisma [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.82.115106 82, 115106 (2010)] GLLBSC functional which explicitly includes the derivative discontinuity, is computationally inexpensive, and yields excellent fundamental gaps. Electron-hole interactions are included through the BSE using the statically screened interaction evaluated in the random phase approximation. For a representative set of semiconductors and insulators we find excellent agreement with experiments for the dielectric functions, onset of absorption, and lowest excitonic features. For the two-dimensional systems of graphene and hexagonal boron-nitride (h-BN) we find good agreement with previous many-body calculations. For the graphene/h-BN interface we find that the fundamental and optical gaps of the h-BN layer are reduced by 2.0 and 0.7 eV, respectively, compared to freestanding h-BN. This reduction is due to image charge screening which shows up in the GLLBSC calculation as a reduction (vanishing) of the derivative discontinuity.

  18. Boronate Derivatives of Functionally Diverse Catechols: Stability Studies

    Directory of Open Access Journals (Sweden)

    Kamal Aziz Ketuly

    2010-03-01

    Full Text Available Benzeneboronate of catecholic carboxyl methyl esters, N-acetyldopamine, coumarin and catechol estrogens were prepared as crystalline derivatives in high yield. Related catechol compounds with extra polar functional group(s (OH, NH2 do not form or only partially form unstable cyclic boronate derivatives.

  19. The investigation of parameters affecting boron removal by electrocoagulation method

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Department of Environmental Engineering, Atatuerk University, Faculty of Engineering, Erzurum (Turkey)]. E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Department of Environmental Engineering, Atatuerk University, Faculty of Engineering, Erzurum (Turkey); Kocakerim, M. Muhtar [Department of Chemical Engineering, 25240, Atatuerk University, Faculty of Engineering Erzurum (Turkey); Keskinler, Buelent [Department of Environmental Engineering, Gebze Institute of Technology, Gebze/Kocaeli 41400 (Turkey)

    2005-10-17

    Boron removal from wastewaters by electrocoagulation using aluminum electrode material was investigated in this paper. Several working parameters, such as pH, current density, boron concentration and type and concentration of supporting electrolyte were studied in an attempt to achieve a higher removal capacity. The experiments were carried out by keeping the pH of solution constant and optimum pH of solution was determined 8.0 for the aluminum electrode. Although energy consumption increased with decreasing boron concentration, which conductivity of these solutions were low, boron removal efficiency was higher at 100 mg/L than that of 1000 mg/L. Current density was an important parameter affecting removal efficiency. Boron removal efficiency and energy consumption increased with increasing current density from 1.2 to 6.0 mA/cm{sup 2}. The types of different supporting electrolyte were experimented in order to investigate to this parameter effect on boron removal. The highest boron removal efficiency, 97%, was found by CaCl{sub 2}. Added CaCl{sub 2} increased more the conductivity of solution according to other supporting electrolytes, but decreased energy consumption. The results showed to have a high effectiveness of the electrocoagulation method in removing boron from aqueous solutions.

  20. Atomic structure of amorphous shear bands in boron carbide.

    Science.gov (United States)

    Reddy, K Madhav; Liu, P; Hirata, A; Fujita, T; Chen, M W

    2013-01-01

    Amorphous shear bands are the main deformation and failure mode of super-hard boron carbide subjected to shock loading and high pressures at room temperature. Nevertheless, the formation mechanisms of the amorphous shear bands remain a long-standing scientific curiosity mainly because of the lack of experimental structure information of the disordered shear bands, comprising light elements of carbon and boron only. Here we report the atomic structure of the amorphous shear bands in boron carbide characterized by state-of-the-art aberration-corrected transmission electron microscopy. Distorted icosahedra, displaced from the crystalline matrix, were observed in nano-sized amorphous bands that produce dislocation-like local shear strains. These experimental results provide direct experimental evidence that the formation of amorphous shear bands in boron carbide results from the disassembly of the icosahedra, driven by shear stresses.

  1. Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Schrof, Julian, E-mail: julian.schrof@ise.fraunhofer.de; Müller, Ralph; Benick, Jan; Hermle, Martin [Fraunhofer Institute for Solar Energy Systems (ISE), Heidenhofstrasse 2, D-79110 Freiburg (Germany); Reedy, Robert C. [National Renewable Energy Laboratory (NREL), 15013 Denver West Parkway, Golden, Colorado 80401 (United States)

    2015-07-28

    Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr{sub 3} furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in more detail by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr{sub 3} diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after

  2. Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

    Science.gov (United States)

    Schrof, Julian; Müller, Ralph; Reedy, Robert C.; Benick, Jan; Hermle, Martin

    2015-07-01

    Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr3 furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in more detail by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr3 diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after the BBr3

  3. Boron in sillimanite.

    Science.gov (United States)

    Grew, E S; Hinthorne, J R

    1983-08-05

    Sillimanite in six granulite-facies, kornerupine-bearing rocks contains 0.035 to 0.43 percent B(2)O(3) and 0.02 to 0.23 percent MgO (by weight). Substitution of boron for silicon and magnesium for aluminum is coupled such that the ratio of magnesium to boron is about 0.5. Sillimanite incorporates more than 0.1 percent B(2)O(3) only at high temperatures in a boron-rich environment at very low partial pressures of water. In the amphibolite facies, the sillimanite boron contents are too low to appreciably affect the stability relations of sillimanite with kyanite and andalusite.

  4. Laser Boronizing of Stainless Steel with Direct Diode Laser

    Science.gov (United States)

    Kusuhara, Takayoshi; Morimoto, Junji; Abe, Nobuyuki; Tsukamoto, Masahiro

    Boronizing is a thermo-chemical surface treatment in which boron atoms are diffused into the surface of a work piece to form borides with the base material. When applied to the metallic materials, boronizing provides wear and abrasion resistance comparable to sintered carbides. However conventional boronizing is carried out at temperatures ranging from 800°C to 1050°C and takes from one to several hours. The structure and properties of the base material is influenced considerably by the high temperature and long treatment time. In order to avoid these drawbacks of conventional boronizing, laser-assisted boronizing is investigated which activates the conventional boronizing material and the work piece with a high density laser power. In this study, effect of laser characteristics was examined on the laser boronizing of stainless steel. After laser boronizing, the microstructure of the boride layer was analyzed with an optical microscope, electron probe micro analyser(EPMA) and X-ray diffractometer (XRD). The mechanical properties of borided layer were evaluated using Vickers hardness tester and sand erosion tester. Results showed that the boride layer was composed of NiB, CrB, FeB and Fe2B, and get wear resistance.

  5. Defect complexes in carbon and boron nitride nanotubes

    CSIR Research Space (South Africa)

    Mashapa, MG

    2012-05-01

    Full Text Available The effect of defect complexes on the stability, structural and electronic properties of single-walled carbon nanotubes and boron nitride nanotubes is investigated using the ab initio pseudopotential density functional method implemented...

  6. Crystalline Confinement

    CERN Document Server

    Banerjee, D; Jiang, F -J; Wiese, U -J

    2013-01-01

    We show that exotic phases arise in generalized lattice gauge theories known as quantum link models in which classical gauge fields are replaced by quantum operators. While these quantum models with discrete variables have a finite-dimensional Hilbert space per link, the continuous gauge symmetry is still exact. An efficient cluster algorithm is used to study these exotic phases. The $(2+1)$-d system is confining at zero temperature with a spontaneously broken translation symmetry. A crystalline phase exhibits confinement via multi-stranded strings between charge-anti-charge pairs. A phase transition between two distinct confined phases is weakly first order and has an emergent spontaneously broken approximate $SO(2)$ global symmetry. The low-energy physics is described by a $(2+1)$-d $\\mathbb{R}P(1)$ effective field theory, perturbed by a dangerously irrelevant $SO(2)$ breaking operator, which prevents the interpretation of the emergent pseudo-Goldstone boson as a dual photon. This model is an ideal candidat...

  7. Boron removal by electrocoagulation and recovery.

    Science.gov (United States)

    Isa, Mohamed Hasnain; Ezechi, Ezerie Henry; Ahmed, Zubair; Magram, Saleh Faraj; Kutty, Shamsul Rahman Mohamed

    2014-03-15

    This work investigated the removal of boron from wastewater and its recovery by electrocoagulation and hydrothermal mineralization methods respectively. The experimental design was developed using Box-Behnken Model. An initial study was performed based on four preselected variables (pH, current density, concentration and time) using synthetic wastewater. Response surface methodology (RSM) was used to evaluate the effect of process variables and their interaction on boron removal. The optimum conditions were obtained as pH 6.3, current density 17.4 mA/cm(2), and time 89 min. At these applied optimum conditions, 99.7% boron removal from an initial concentration of 10.4 mg/L was achieved. The process was effectively optimized by RSM with a desirability value of 1.0. The results showed that boron removal efficiency enhanced with increase in current density and treatment time. Removal efficiency also increased when pH was increased from 4 to 7 and subsequently decreased at pH 10. Adsorption kinetics study revealed that the reaction followed pseudo second order kinetic model; evidenced by high correlation and goodness of fit. Thermodynamics study showed that mechanism of boron adsorption was chemisorption and the reaction was endothermic in nature. Furthermore, the adsorption process was spontaneous as indicated by negative values of the adsorption free energy. Treatment of real produced water using electrocoagulation resulted in 98% boron removal. The hydrothermal mineralization study showed that borate minerals (Inyoite, Takadaite and Nifontovite) can be recovered as recyclable precipitate from electrocoagulation flocs of produced water.

  8. Boron Nitride Nanotube: Synthesis and Applications

    Science.gov (United States)

    Tiano, Amanda L.; Park, Cheol; Lee, Joseph W.; Luong, Hoa H.; Gibbons, Luke J.; Chu, Sang-Hyon; Applin, Samantha I.; Gnoffo, Peter; Lowther, Sharon; Kim, Hyun Jung; Danehy, Paul M.; Inman, Jennifer A.; Jones, Stephen B.; Kang, Jin Ho; Sauti, Godfrey; Thibeault, Sheila A.; Yamakov, Vesselin; Wise, Kristopher E.; Su, Ji; Fay, Catharine C.

    2014-01-01

    Scientists have predicted that carbon's immediate neighbors on the periodic chart, boron and nitrogen, may also form perfect nanotubes, since the advent of carbon nanotubes (CNTs) in 1991. First proposed then synthesized by researchers at UC Berkeley in the mid 1990's, the boron nitride nanotube (BNNT) has proven very difficult to make until now. Herein we provide an update on a catalyst-free method for synthesizing highly crystalline, small diameter BNNTs with a high aspect ratio using a high power laser under a high pressure and high temperature environment first discovered jointly by NASA/NIA JSA. Progress in purification methods, dispersion studies, BNNT mat and composite formation, and modeling and diagnostics will also be presented. The white BNNTs offer extraordinary properties including neutron radiation shielding, piezoelectricity, thermal oxidative stability (> 800 C in air), mechanical strength, and toughness. The characteristics of the novel BNNTs and BNNT polymer composites and their potential applications are discussed.

  9. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.

    Science.gov (United States)

    Esrafili, Mehdi D; Elmi, Fatemeh; Hadipour, Nasser L

    2007-02-08

    A systematic computational investigation was carried out to characterize the 17O, 14N and 2H electric field gradient, EFG, as well as 17O, 15N, 13C and 1H chemical shielding tensors in the anhydrous chitosan crystalline structure. To include the hydrogen-bonding effects in the calculations, the most probable interacting molecules with the target molecule in the crystalline phase were considered through a hexameric cluster. The computations were performed with the B3LYP method and 6-311++G(d,p) and 6-31++G(d,p) standard basis sets using the Gaussian 98 suite of programs. Calculated EFG and chemical shielding tensors were used to evaluate the 17O, 14N and 2H nuclear quadrupole resonance, NQR, and 17O, 15N, 13C and 1H nuclear magnetic resonance, NMR, parameters in the hexameric cluster, which are in good agreement with the available experimental data. The difference between the calculated NQR and NMR parameters of the monomer and hexamer cluster shows how much hydrogen bonding interactions affect the EFG and chemical shielding tensors of each nucleus. These results indicate that both O(3)-H(33)...O(5-3) and N-H(22)...O(6-4) hydrogen bonding have a major influence on NQR and NMR parameters. Also, the quantum chemical calculations indicate that the intra- and intermolecular hydrogen bonding interactions play an essential role in determining the relative orientation of EFG and chemical shielding principal components in the molecular frame axes.

  10. An empirical model for parameters affecting energy consumption in boron removal from boron-containing wastewaters by electrocoagulation

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey)]. E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey)

    2007-06-01

    In this study, it was investigated parameters affecting energy consumption in boron removal from boron containing wastewaters prepared synthetically, via electrocoagulation method. The solution pH, initial boron concentration, dose of supporting electrolyte, current density and temperature of solution were selected as experimental parameters affecting energy consumption. The obtained experimental results showed that boron removal efficiency reached up to 99% under optimum conditions, in which solution pH was 8.0, current density 6.0mA/cm{sup 2}, initial boron concentration 100mg/L and solution temperature 293K. The current density was an important parameter affecting energy consumption too. High current density applied to electrocoagulation cell increased energy consumption. Increasing solution temperature caused to decrease energy consumption that high temperature decreased potential applied under constant current density. That increasing initial boron concentration and dose of supporting electrolyte caused to increase specific conductivity of solution decreased energy consumption. As a result, it was seen that energy consumption for boron removal via electrocoagulation method could be minimized at optimum conditions. An empirical model was predicted by statistically. Experimentally obtained values were fitted with values predicted from empirical model being as following;[ECB]=7.6x10{sup 6}x[OH]{sup 0.11}x[CD]{sup 0.62}x[IBC]{sup -0.57}x[DSE]{sup -0.}= {sup 04}x[T]{sup -2.98}x[t] Unfortunately, the conditions obtained for optimum boron removal were not the conditions obtained for minimum energy consumption. It was determined that support electrolyte must be used for increase boron removal and decrease electrical energy consumption.

  11. Effect of Boronization on Ohmic Plasmas in NSTX

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, C.H.; Kugel, H.; Maingi, R.; Wampler, W.R.; Blanchard, W.; Bell, M.; Bell, R.; LeBlanc, B.; Gates, D.; Kaye, S.; LaMarche, P.; Menard, J.; Mueller, D.; Na, H.K.; Nishino, N.; Paul, S.; Sabbagh, S.; Soukhanovskii, V.

    2001-03-27

    Boronization of the National Spherical Torus Experiment (NSTX) has enabled access to higher density, higher confinement plasmas. A glow discharge with 4 mTorr helium and 10% deuterated trimethyl boron deposited 1.7 g of boron on the plasma facing surfaces. Ion beam analysis of witness coupons showed a B+C areal density of 10 to the 18 (B+C) cm to the -2 corresponding to a film thickness of 100 nm. Subsequent ohmic discharges showed oxygen emission lines reduced by x15, carbon emission reduced by two and copper reduced to undetectable levels. After boronization, the plasma current flattop time increased by 70% enabling access to higher density, higher confinement plasmas.

  12. A computational study of carbon dioxide adsorption on solid boron.

    Science.gov (United States)

    Sun, Qiao; Wang, Meng; Li, Zhen; Du, Aijun; Searles, Debra J

    2014-07-07

    Capturing and sequestering carbon dioxide (CO2) can provide a route to partial mitigation of climate change associated with anthropogenic CO2 emissions. Here we report a comprehensive theoretical study of CO2 adsorption on two phases of boron, α-B12 and γ-B28. The theoretical results demonstrate that the electron deficient boron materials, such as α-B12 and γ-B28, can bond strongly with CO2 due to Lewis acid-base interactions because the electron density is higher on their surfaces. In order to evaluate the capacity of these boron materials for CO2 capture, we also performed calculations with various degrees of CO2 coverage. The computational results indicate CO2 capture on the boron phases is a kinetically and thermodynamically feasible process, and therefore from this perspective these boron materials are predicted to be good candidates for CO2 capture.

  13. Synthesis and photoluminescence property of boron carbide nanowires

    Institute of Scientific and Technical Information of China (English)

    Bao Li-Hong; Li Chen; Tian Yuan; Tian Ji-Fa; Hui Chao; Wang Xing-Jun; Shen Cheng-Min; Gao Hong-Jun

    2008-01-01

    Large scale, high density boron carbide nanowires have been synthesized by using an improved carbothermal reduction method with B/B2O3/C powder precursors under an argon flow at 1100~C. The boron carbide nanowires are 5-10 μm in length and 80-100 nm in diameter. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) characterizations show that the boron carbide nanowire has a B4C rhombohedral structure with good crystallization. The Raman spectrum of the as-grown boron carbide nanowires is consistent with that of a B4C structure consisting of B11C icosahedra and C-B-C chains. The room temperature photoluminescence spectrum of the boron carbide nanowires exhibits a visible range of emission centred at 638 nm.

  14. Micrometric rods grown by nanosecond pulsed laser deposition of boron carbide

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Quintas, Ignacio; Oujja, Mohamed; Sanz, Mikel; Benitez-Cañete, Antonio [Instituto de Química Física Rocasolano, CSIC, Serrano 119, 28006 Madrid (Spain); Chater, Richard J. [Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Cañamares, Maria Vega [Instituto de Estructura de la Materia, CSIC, Serrano 119, 28006 Madrid (Spain); Marco, José F. [Instituto de Química Física Rocasolano, CSIC, Serrano 119, 28006 Madrid (Spain); Castillejo, Marta, E-mail: marta.castllejo@iqfr.csic.es [Instituto de Química Física Rocasolano, CSIC, Serrano 119, 28006 Madrid (Spain)

    2015-02-15

    Highlights: • Micrometric rods obtained by ns pulsed laser deposition of boron carbide at 1064 and 266 nm. • At 1064 nm microrods display crystalline polyhedral shape with sharp edges and flat sides. • Microrods consist of a mixture of boron, boron oxide, boron carbide and aliphatic hydrocarbons. - Abstract: Micrometric size rods have been fabricated via pulsed laser deposition in vacuum from boron carbide targets using nanosecond pulses of 1064 and 266 nm and room temperature Si (1 0 0) substrates. Morphological, structural and chemical characterization of the microrods was made by applying scanning electron microscopy, focussed ion beam microscopy coupled to secondary ion mass spectrometry, X-ray diffraction, X-ray photoelectron spectroscopy and micro-Raman spectroscopy. Ablation at 1064 nm favours the formation of microrods with high aspect ratio, sharp edges and pyramidal tips, typically 10 μm long with a cross section of around 2 μm × 2 μm. Differently, at 266 nm the microrods are of smaller size and present a more globular aspect. The analyses of the microrods provide information about their crystalline nature and composition, based on a mixture which includes boron, boron oxide and boron carbide, and allows discussion of the wavelength dependent growth mechanisms involved.

  15. The structure study of boron carbonitride films obtained by use of trimethylamine borane complex

    CERN Document Server

    Kosinova, M L; Fainer, N I; Maximovski, E A; Kuznetsov, F A

    2001-01-01

    Diffraction of synchrotron radiation (SR) was used to investigate crystalline structure and phase composition of thin films (1500-5000 A) of boron carbonitride. These films were synthesized by plasma-enhanced chemical vapor deposition using nontraditional volatile single source precursor trimethylamine borane complex (CH sub 3) sub 3 N centre dot BH sub 3 and its mixture with ammonia. The effect of the gas ratio and substrate temperature on chemical and phase composition as well as the structure of the films were investigated. The XRD peculiarities of texture films and ways of increasing sensibility of measurements were considered. A possibility of the information density rise of the thin film XRD was shown due to application of different methods for recording diffraction patterns.

  16. Preparation and properties of unidirectional boron nitride fibre reinforced boron nitride matrix composites via precursor infiltration and pyrolysis route

    Energy Technology Data Exchange (ETDEWEB)

    Li Duan, E-mail: whataboutduan@gmail.com [State Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China); Zhang Changrui; Li Bin; Cao Feng; Wang Siqing; Li Junsheng [State Key Laboratory of Advanced Ceramic Fibres and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha 410073 (China)

    2011-10-25

    Highlights: {yields} BN fibres degrade little when exposed at elevated temperatures. {yields} Precursor infiltration and pyrolysis route is useful to prepare BNf/BN composites. {yields} Few reports have related to the preparation and properties of BNf/BN composites. {yields} BNf/BN composites have desirable high-temperature mechanical properties. {yields} BNf/BN composites have excellent dielectric properties at 2-18 GHz. - Abstract: The unidirectional boron nitride fibre reinforced boron nitride matrix (BN{sub f}/BN) composites were prepared via the precursor infiltration and pyrolysis (PIP) route, and the structure, composition, mechanical and dielectric properties were studied. The composites have a high content and fine crystallinity of BN. The density is 1.60 g cm{sup -3} with a low open porosity of 4.66%. The composites display good mechanical properties with the average flexural strength, elastic modulus and fracture toughness being 53.8 MPa, 20.8 GPa and 6.88 MPa m{sup 1/2}, respectively. Lots of long fibres pull-out from the fracture surface, suggesting a good fibre/matrix interface. As temperature increases, both of the flexural strength and elastic modulus exhibit a decreasing trend, with the lowest values being 36.2 MPa and 8.6 GPa at 1000 deg. C, respectively. The desirable residual ratios of the flexural strength and elastic modulus at 1000 deg. C are 67.3% and 41.3%, respectively. The composites have excellent dielectric properties, with the average dielectric constant and loss tangent being 3.07 and 0.0044 at 2-18 GHz, respectively.

  17. Negative effects of crystalline-SiC doping on the critical current density in Ti-sheathed MgB{sub 2}(SiC){sub y} superconducting wires

    Energy Technology Data Exchange (ETDEWEB)

    Liang, G [Department of Physics, Sam Houston State University, Huntsville, TX 77341 (United States); Fang, H [Department of Physics, Sam Houston State University, Huntsville, TX 77341 (United States); Luo, Z P [Microscopy and Imaging Center, Biological Sciences Building West, Texas A and M University, College Station, TX 77843-2257 (United States); Hoyt, C [Department of Physics, Sam Houston State University, Huntsville, TX 77341 (United States); Yen, F [Texas Center for Superconductivity, University of Houston, Houston, TX 77204-4006 (United States); Guchhait, S [Department of Physics, University of Texas at Austin, Austin, TX 78712 (United States); Lv, B [Department of Chemistry, University of Houston, Houston, TX 77204-5003 (United States); Markert, J T [Department of Physics, University of Texas at Austin, Austin, TX 78712 (United States)

    2007-07-15

    Ti-sheathed MgB{sub 2} wires doped with nanosize crystalline-SiC up to a concentration of 15 wt% SiC have been fabricated, and the effects of the SiC doping on the critical current density (J{sub c}) and other superconducting properties studied. In contrast with the previously reported results that nano-SiC doping with a doping range below 16 wt% usually enhances J{sub c}, particularly at higher fields, our measurements show that SiC doping decreases J{sub c} over almost the whole field range from 0 to 7.3 T at all temperatures. Furthermore, it is found that the degradation of J{sub c} becomes stronger at higher SiC doping levels, which is also in sharp contrast with the reported results that J{sub c} is usually optimized at doping levels near 10 wt% SiC. Our results indicate that these negative effects on J{sub c} could be attributed to the absence of significant effective pinning centres (mainly Mg{sub 2}Si) due to the high chemical stability of the crystalline-SiC particles.

  18. Low-dimensional boron structures based on icosahedron B12

    Science.gov (United States)

    Kah, C. B.; Yu, M.; Tandy, P.; Jayanthi, C. S.; Wu, S. Y.

    2015-10-01

    One-dimensional icosahedral boron chains and two-dimensional icosahedral boron sheets (icosahedral α, δ6, and δ4 sheets) that contain icosahedra B12 as their building units have been predicted in a computer simulation study using a state-of-the-art semi-empirical Hamiltonian. These novel low-dimensional icosahedral structures exhibit interesting bonding and electronic properties. Specifically, the three-center, two-electron bonding between icosahedra B12 of the boron bulk (rhombohedral boron) transforms into a two-center bonding in these new allotropes of boron sheets. In contrast to the previously reported stable buckled α and triangular boron monolayer sheets, these new allotropes of boron sheets form a planar network. Calculations of electronic density of states (DOS) reveal a semiconducting nature for both the icosahedral chain and the icosahedral δ6 and δ4 sheets, as well as a nearly gapless (or metallic-like) feature in the DOS for the icosahedral α sheet. The results for the energy barrier per atom between the icosahedral δ6 and α sheets (0.17 eV), the icosahedral δ6 and δ4 sheets (0.38 eV), and the icosahedral α and δ4 sheets (0.27 eV), as indicated in the respective parentheses, suggest that these new allotropes of boron sheets are relatively stable.

  19. Boron and the kidney.

    Science.gov (United States)

    Pahl, Madeleine V; Culver, B Dwight; Vaziri, Nosratola D

    2005-10-01

    Boron, the fifth element in the periodic table, is ubiquitous in nature. It is present in food and in surface and ocean waters, and is frequently used in industrial, cosmetic, and medical settings. Exposure to boron and related compounds has been recently implicated as a potential cause of chronic kidney disease in Southeast Asia. This observation prompted the present review of the published data on the effects of acute and chronic exposure to boron on renal function and structure in human beings and in experimental animals.

  20. Structural Modification in Carbon Nanotubes by Boron Incorporation

    Directory of Open Access Journals (Sweden)

    Handuja Sangeeta

    2009-01-01

    Full Text Available Abstract We have synthesized boron-incorporated carbon nanotubes (CNTs by decomposition of ferrocene and xylene in a thermal chemical vapor deposition set up using boric acid as the boron source. Scanning and transmission electron microscopy studies of the synthesized CNT samples showed that there was deterioration in crystallinity and improvement in alignment of the CNTs as the boron content in precursor solution increased from 0% to 15%. Raman analysis of these samples showed a shift of ~7 cm−1in wave number to higher side and broadening of the G band with increasing boron concentration along with an increase in intensity of the G band. Furthermore, there was an increase in the intensity of the D band along with a decrease in its wave number position with increase in boron content. We speculate that these structural modifications in the morphology and microstructure of CNTs might be due to the charge transfer from boron to the graphite matrix, resulting in shortening of the carbon–carbon bonds.

  1. The stability and electronic structures of Si/O/Al/P atom doped (5,0)boron nitrogen nanotubes with Stone-Wales defects: Density functional theory studies

    Science.gov (United States)

    Li, KeJing; Ye, JinQian; Zhang, Juan; Wang, XiYuan; Shao, QingYi

    2017-03-01

    Using density functional theory, we have investigated Si/O/Al/P atoms doped (5,0)BNNTs with SW defects. We have mainly found that Si/O/Al/P have improved the stability of (5,0)BNNTs with SW defects. In view of Mulliken charge, we have thought Si/O/Al/P atoms have donated electrons (charge +e state or charge -e state) to nanotubes, contributing BNNTs with SW defects to stable. Meanwhile, from the aspect of energy band structure and DOS, we have further explained the reason. We have considerred that stability of doped structures has related to hybridization between doped atom and BNNTs. The stability has changed with changing the degree of hybridization. Moreover, B atom can play a crucial role in the insertion of Si/O/Al/P atom into (5,0)BNNTs with SW defects.

  2. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  3. Numerical analysis of thermal stress and dislocation density distributions in large size multi-crystalline silicon ingots during the seeded growth process

    Science.gov (United States)

    Nguyen, Thi Hoai Thu; Chen, Jyh-Chen; Hu, Chieh; Chen, Chun-Hung; Huang, Yen-Hao; Lin, Huang-Wei; Yu, Andy; Hsu, Bruce

    2017-06-01

    In this study, a global transient numerical simulation of silicon growth from the beginning of the solidification process until the end of the cooling process is carried out modeling the growth of an 800 kg ingot in an industrial seeded directional solidification furnace. The standard furnace is modified by the addition of insulating blocks in the hot zone. The simulation results show that there is a significant decrease in the thermal stress and dislocation density in the modified model as compared to the standard one (a maximal decrease of 23% and 75% along the center line of ingot for thermal stress and dislocation density, respectively). This modification reduces the heating power consumption for solidification of the silicon melt by about 17% and shortens the growth time by about 2.5 h. Moreover, it is found that adjusting the operating conditions of modified model to obtain the lower growth rate during the early stages of the solidification process can lower dislocation density and total heater power.

  4. Boron-Based Drug Design.

    Science.gov (United States)

    Ban, Hyun Seung; Nakamura, Hiroyuki

    2015-06-01

    The use of the element boron, which is not generally observed in a living body, possesses a high potential for the discovery of new biological activity in pharmaceutical drug design. In this account, we describe our recent developments in boron-based drug design, including boronic acid containing protein tyrosine kinase inhibitors, proteasome inhibitors, and tubulin polymerization inhibitors, and ortho-carborane-containing proteasome activators, hypoxia-inducible factor 1 inhibitors, and topoisomerase inhibitors. Furthermore, we applied a closo-dodecaborate as a water-soluble moiety as well as a boron-10 source for the design of boron carriers in boron neutron capture therapy, such as boronated porphyrins and boron lipids for a liposomal boron delivery system.

  5. Technology for boron-doped layers formation on the diamond

    Directory of Open Access Journals (Sweden)

    Zyablyuk K. N.

    2012-10-01

    Full Text Available The authors investigated natural type IIa diamond crystals and CVD diamond films. The article presents electrophysical parameters of the structures obtained in different modes of ion implantation of boron into the crystal with further annealing. Parameters of the crystals with a high nitrogen impurity density indicate that they can be used for the manufacture of microwave field-effect transistors operating at room temperature. CVD diamond films doped with boron during the growth process also have the required for MOSFET manufacture carrier mobility. However, due to the high activation energy of boron, the required channel conductivity is achieved at high operating temperatures.

  6. Boron nitride composites

    Science.gov (United States)

    Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

    2016-02-16

    According to one embodiment, a composite product includes hexagonal boron nitride (hBN), and a plurality of cubic boron nitride (cBN) particles, wherein the plurality of cBN particles are dispersed in a matrix of the hBN. According to another embodiment, a composite product includes a plurality of cBN particles, and one or more borate-containing binders.

  7. Boron nitride composites

    Energy Technology Data Exchange (ETDEWEB)

    Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

    2016-02-16

    According to one embodiment, a composite product includes hexagonal boron nitride (hBN), and a plurality of cubic boron nitride (cBN) particles, wherein the plurality of cBN particles are dispersed in a matrix of the hBN. According to another embodiment, a composite product includes a plurality of cBN particles, and one or more borate-containing binders.

  8. Hybrid-PIC Modeling of the Transport of Atomic Boron in a Hall Thruster

    Science.gov (United States)

    Smith, Brandon D.; Boyd, Iaian D.; Kamhawi, Hani

    2015-01-01

    Computational analysis of the transport of boron eroded from the walls of a Hall thruster is performed by implementing sputter yields of hexagonal boron nitride and velocity distribution functions of boron within the hybrid-PIC model HPHall. The model is applied to simulate NASA's HiVHAc Hall thruster at a discharge voltage of 500V and discharge powers of 1-3 kW. The number densities of ground- and 4P-state boron are computed. The density of ground-state boron is shown to be a factor of about 30 less than the plasma density. The density of the excited state is shown to be about three orders of magnitude less than that of the ground state, indicating that electron impact excitation does not significantly affect the density of ground-state boron in the discharge channel or near-field plume of a Hall thruster. Comparing the rates of excitation and ionization suggests that ionization has a greater influence on the density of ground-state boron, but is still negligible. The ground-state boron density is then integrated and compared to cavity ring-down spectroscopy (CRDS) measurements for each operating point. The simulation results show good agreement with the measurements for all operating points and provide evidence in support of CRDS as a tool for measuring Hall thruster erosion in situ.

  9. Study of the effects of focused high-energy boron ion implantation in diamond

    Science.gov (United States)

    Ynsa, M. D.; Agulló-Rueda, F.; Gordillo, N.; Maira, A.; Moreno-Cerrada, D.; Ramos, M. A.

    2017-08-01

    Boron-doped diamond is a material with a great technological and industrial interest because of its exceptional chemical, physical and structural properties. At modest boron concentrations, insulating diamond becomes a p-type semiconductor and at higher concentrations a superconducting metal at low temperature. The most conventional preparation method used so far, has been the homogeneous incorporation of boron doping during the diamond synthesis carried out either with high-pressure sintering of crystals or by chemical vapour deposition (CVD) of films. With these methods, high boron concentration can be included without distorting significantly the diamond crystalline lattice. However, it is complicated to manufacture boron-doped microstructures. A promising alternative to produce such microstructures could be the implantation of focused high-energy boron ions, although boron fluences are limited by the damage produced in diamond. In this work, the effect of focused high-energy boron ion implantation in single crystals of diamond is studied under different irradiation fluences and conditions. Micro-Raman spectra of the sample were measured before and after annealing at 1000 °C as a function of irradiation fluence, for both superficial and buried boron implantation, to assess the changes in the diamond lattice by the creation of vacancies and defects and their degree of recovery after annealing.

  10. Amorphous boron nanorod as an anode material for lithium-ion batteries at room temperature.

    Science.gov (United States)

    Deng, Changjian; Lau, Miu Lun; Barkholtz, Heather M; Xu, Haiping; Parrish, Riley; Xu, Meiyue Olivia; Xu, Tao; Liu, Yuzi; Wang, Hao; Connell, Justin G; Smith, Kassiopeia A; Xiong, Hui

    2017-08-03

    We report an amorphous boron nanorod anode material for lithium-ion batteries prepared through smelting non-toxic boron oxide in liquid lithium. Boron in theory can provide capacity as high as 3099 mA h g(-1) by alloying with Li to form B4Li5. However, experimental studies of the boron anode have been rarely reported for room temperature lithium-ion batteries. Among the reported studies the electrochemical activity and cycling performance of the bulk crystalline boron anode material are poor at room temperature. In this work, we utilized an amorphous nanostructured one-dimensional (1D) boron material aiming at improving the electrochemical reactivity between boron and lithium ions at room temperature. The amorphous boron nanorod anode exhibited, at room temperature, a reversible capacity of 170 mA h g(-1) at a current rate of 10 mA g(-1) between 0.01 and 2 V. The anode also demonstrated good rate capability and cycling stability. The lithium storage mechanism was investigated by both sweep voltammetry measurements and galvanostatic intermittent titration techniques (GITTs). The sweep voltammetric analysis suggested that the contributions from lithium ion diffusion into boron and the capacitive process to the overall lithium charge storage are 57% and 43%, respectively. The results from GITT indicated that the discharge capacity at higher potentials (>∼0.2 V vs. Li/Li(+)) could be ascribed to a capacitive process and at lower potentials (lithium-ion batteries.

  11. The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

    Science.gov (United States)

    Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

    2009-03-01

    The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

  12. Lattice dynamics of {alpha} boron and of boron carbide; Proprietes vibrationnelles du bore {alpha} et du carbure de bore

    Energy Technology Data Exchange (ETDEWEB)

    Vast, N

    1999-07-01

    The atomic structure and the lattice dynamics of {alpha} boron and of B{sub 4}C boron carbide have been studied by Density Functional Theory (D.F.T.) and Density Functional Perturbation Theory (D.F.P.T.). The bulk moduli of the unit-cell and of the icosahedron have been investigated, and the equation of state at zero temperature has been determined. In {alpha} boron, Raman diffusion and infrared absorption have been studied under pressure, and the theoretical and experimental Grueneisen coefficients have been compared. In boron carbide, inspection of the theoretical and experimental vibrational spectra has led to the determination of the atomic structure of B{sub 4}C. Finally, the effects of isotopic disorder have been modeled by an exact method beyond the mean-field approximation, and the effects onto the Raman lines has been investigated. The method has been applied to isotopic alloys of diamond and germanium. (author)

  13. Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide

    Science.gov (United States)

    Xie, Kelvin Y.; An, Qi; Toksoy, M. Fatih; McCauley, James W.; Haber, Richard A.; Goddard, William A.; Hemker, Kevin J.

    2015-10-01

    Recent observations of planar defects in boron carbide have been shown to deviate from perfect mirror symmetry and are referred to as "asymmetric twins." Here, we demonstrate that these asymmetric twins are really phase boundaries that form in stoichiometric B4C (i.e., B12C3 ) but not in B13C2 . TEM observations and ab initio simulations have been coupled to show that these planar defects result from an interplay of stoichiometry, atomic positioning, icosahedral twinning, and structural hierarchy. The composition of icosahedra in B4C is B11C and translation of the carbon atom from a polar to equatorial site leads to a shift in bonding and a slight distortion of the lattice. No such distortion is observed in boron-rich B13C2 because the icosahedra do not contain carbon. Implications for tailoring boron carbide with stoichiometry and extrapolations to other hierarchical crystalline materials are discussed.

  14. Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide.

    Science.gov (United States)

    Xie, Kelvin Y; An, Qi; Toksoy, M Fatih; McCauley, James W; Haber, Richard A; Goddard, William A; Hemker, Kevin J

    2015-10-23

    Recent observations of planar defects in boron carbide have been shown to deviate from perfect mirror symmetry and are referred to as "asymmetric twins." Here, we demonstrate that these asymmetric twins are really phase boundaries that form in stoichiometric B(4)C (i.e., B(12)C(3)) but not in B(13)C(2). TEM observations and ab initio simulations have been coupled to show that these planar defects result from an interplay of stoichiometry, atomic positioning, icosahedral twinning, and structural hierarchy. The composition of icosahedra in B(4)C is B(11)C and translation of the carbon atom from a polar to equatorial site leads to a shift in bonding and a slight distortion of the lattice. No such distortion is observed in boron-rich B(13)C(2) because the icosahedra do not contain carbon. Implications for tailoring boron carbide with stoichiometry and extrapolations to other hierarchical crystalline materials are discussed.

  15. Hugoniot equation of state and dynamic strength of boron carbide

    Energy Technology Data Exchange (ETDEWEB)

    Grady, Dennis E. [Applied Research Associates, Southwest Division, 4300 San Mateo Blvd NE, A-220, Albuquerque, New Mexico 87110-129 (United States)

    2015-04-28

    Boron carbide ceramics have been particularly problematic in attempts to develop adequate constitutive model descriptions for purposes of analysis of dynamic response in the shock and impact environment. Dynamic strength properties of boron carbide ceramic differ uniquely from comparable ceramics. Furthermore, boron carbide is suspected, but not definitely shown, to undergoing polymorphic phase transformation under shock compression. In the present paper, shock-wave compression measurements conducted over the past 40 years are assessed for the purpose of achieving improved understanding of the dynamic equation of state and strength of boron carbide. In particular, attention is focused on the often ignored Los Alamos National Laboratory (LANL) Hugoniot measurements performed on porous sintered boron carbide ceramic. The LANL data are shown to exhibit two compression anomalies on the shock Hugoniot within the range of 20–60 GPa that may relate to crystallographic structure transitions. More recent molecular dynamics simulations on the compressibility of the boron carbide crystal lattice reveal compression transitions that bear similarities to the LANL Hugoniot results. The same Hugoniot data are complemented with dynamic isentropic compression data for boron carbide extracted from Hugoniot measurements on boron carbide and copper granular mixtures. Other Hugoniot measurements, however, performed on near-full-density boron carbide ceramic differ markedly from the LANL Hugoniot data. These later data exhibit markedly less compressibility and tend not to show comparable anomalies in compressibility. Alternative Hugoniot anomalies, however, are exhibited by the near-full-density data. Experimental uncertainty, Hugoniot strength, and phase transformation physics are all possible explanations for the observed discrepancies. It is reasoned that experimental uncertainty and Hugoniot strength are not likely explanations for the observed differences. The notable

  16. Hugoniot equation of state and dynamic strength of boron carbide

    Science.gov (United States)

    Grady, Dennis E.

    2015-04-01

    Boron carbide ceramics have been particularly problematic in attempts to develop adequate constitutive model descriptions for purposes of analysis of dynamic response in the shock and impact environment. Dynamic strength properties of boron carbide ceramic differ uniquely from comparable ceramics. Furthermore, boron carbide is suspected, but not definitely shown, to undergoing polymorphic phase transformation under shock compression. In the present paper, shock-wave compression measurements conducted over the past 40 years are assessed for the purpose of achieving improved understanding of the dynamic equation of state and strength of boron carbide. In particular, attention is focused on the often ignored Los Alamos National Laboratory (LANL) Hugoniot measurements performed on porous sintered boron carbide ceramic. The LANL data are shown to exhibit two compression anomalies on the shock Hugoniot within the range of 20-60 GPa that may relate to crystallographic structure transitions. More recent molecular dynamics simulations on the compressibility of the boron carbide crystal lattice reveal compression transitions that bear similarities to the LANL Hugoniot results. The same Hugoniot data are complemented with dynamic isentropic compression data for boron carbide extracted from Hugoniot measurements on boron carbide and copper granular mixtures. Other Hugoniot measurements, however, performed on near-full-density boron carbide ceramic differ markedly from the LANL Hugoniot data. These later data exhibit markedly less compressibility and tend not to show comparable anomalies in compressibility. Alternative Hugoniot anomalies, however, are exhibited by the near-full-density data. Experimental uncertainty, Hugoniot strength, and phase transformation physics are all possible explanations for the observed discrepancies. It is reasoned that experimental uncertainty and Hugoniot strength are not likely explanations for the observed differences. The notable mechanistic

  17. Boron - A potential goiterogen?

    Science.gov (United States)

    Popova, Elizaveta V; Tinkov, Alexey A; Ajsuvakova, Olga P; Skalnaya, Margarita G; Skalny, Anatoly V

    2017-07-01

    The iodine deficiency disorders (IDD) include a variety of disturbances such as decreased fertility, increased perinatal and infant mortality, impaired physical and intellectual development, mental retardation, cretinism, hypothyroidism, and endemic goiter (EG). The occurrence of the latter is determined by interplay between genetic and environmental factors. The major environmental factor is iodine status that is required for normal thyroid hormone synthesis. However, other factors like intake of micronutrients and goiterogens also have a significant impact. Essential and toxic trace elements both play a significant role in thyroid physiology. We hypothesize that in terms of overexposure boron may serve as a potential goiterogen. In particular, it is proposed that boron overload may impair thyroid physiology ultimately leading to goiter formation. Certain studies provide evidential support of the hypothesis. In particular, it has been demonstrated that serum and urinary B levels are characterized by a negative association with thyroid hormone levels in exposed subjects. Single indications on the potential efficiency of B in hypothyroidism also exist. Moreover, the levels of B were found to be interrelated with thyroid volume in children environmentally exposed to boron. Experimental studies also demonstrated a significant impact of boron on thyroid structure and hormone levels. Finally, the high rate of B cumulation in thyroid may also indicate that thyroid is the target for B activity. Chemical properties of iodine and boron also provide a background for certain competition. However, it is questionable whether these interactions may occur in the biological systems. Further clinical and experimental studies are required to support the hypothesis of the involvement of boron overexposure in goiter formation. If such association will be confirmed and the potential mechanisms elucidated, it will help to regulate the incidence of hypothyroidism and goiter in endemic

  18. Crystalline and Crystalline International Disposal Activities

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-12-21

    This report presents the results of work conducted between September 2014 and July 2015 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program.

  19. Effect of factors on the extraction of boron from slags

    Science.gov (United States)

    Zhang, Peixin; Sui, Zhitong

    1995-04-01

    The effects of slag composition, additive agent, and heat treatment on the crystal morphologies, the crystallization behavior, and the efficiency of extraction of boron (EEB) from slags were investigated by chemical analysis, polarization microscope, and X-ray diffraction (XRD) as well as differential thermal analysis (DTA). The EEB varied with the slag composition. The farther the slag composition deviated from the line between 2MgO · B2O3 and 2MgO · SiO2 in the MgO-B2O3-SiO2 system, the lower the EEB. The EEB was directly related to the precipitating characteristics of the boron component in the slags. The EEB was high if the boron component existed in the form of a crystalline phase, otherwise the EEB was low when boron was in the form of an amorphous phase. The EEB from MgO-Al2O3-CaO-B2O3-SiO2 slag varied with the temperature of heat treatment; the highest EEB appeared at 1100 °C. The EEB and the crystallinities were increased by addition of TiO2 and MOx (M = Mg, Ca, Fe, Si). The effect of MOx was more notable than that of TiO2.

  20. Femtosecond Laser Crystallization of Boron-doped Amorphous Hydrogenated Silicon Films

    Directory of Open Access Journals (Sweden)

    P.D. Rybalko

    2016-10-01

    Full Text Available Crystallization of amorphous hydrogenated silicon films with femtosecond laser pulses is one of the promising ways to produce nanocrystalline silicon for photovoltaics. The structure of laser treated films is the most important factor determining materials' electric and photoelectric properties. In this work we investigated the effect of femtosecond laser irradiation of boron doped amorphous hydrogenated silicon films with different fluences on crystalline volume fraction and electrical properties of this material. A sharp increase of conductivity and essential decrease of activation energy of conductivity temperature dependences accompany the crystallization process. The results obtained are explained by increase of boron doping efficiency in crystalline phase of modified silicon film.

  1. Test study of boron nitride as a new detector material for dosimetry in high-energy photon beams.

    Science.gov (United States)

    Poppinga, D; Halbur, J; Lemmer, S; Delfs, B; Harder, D; Looe, H K; Poppe, B

    2017-09-05

    The aim of this test study is to check whether boron nitride (BN) might be applied as a detector material in high-energy photon-beam dosimetry. Boron nitride exists in various crystalline forms. Hexagonal boron nitride (h-BN) possesses high mobility of the electrons and holes as well as a high volume resistivity, so that ionizing radiation in the clinical range of the dose rate can be expected to produce a measurable electrical current at low background current. Due to the low atomic numbers of its constituents, its density (2.0 g cm(-3)) similar to silicon and its commercial availability, h-BN appears as possibly suitable for the dosimetry of ionizing radiation. Five h-BN plates were contacted to triaxial cables, and the detector current was measured in a solid-state ionization chamber circuit at an applied voltage of 50 V. Basic dosimetric properties such as formation by pre-irradiation, sensitivity, reproducibility, linearity and temporal resolution were measured with 6 MV photon irradiation. Depth dose curves at quadratic field sizes of 10 cm and 40 cm were measured and compared to ionization chamber measurements. After a pre-irradiation with 6 Gy, the devices show a stable current signal at a given dose rate. The current-voltage characteristic up to 400 V shows an increase in the collection efficiency with the voltage. The time-resolved detector current behavior during beam interrupts is comparable to diamond material, and the background current is negligible. The measured percentage depth dose curves at 10 cm  ×  10 cm field size agreed with the results of ionization chamber measurements within  ±2%. This is a first study of boron nitride as a detector material for high-energy photon radiation. By current measurements on solid ionization chambers made from boron nitride chips we could demonstrate that boron nitride is in principle suitable as a detector material for high-energy photon-beam dosimetry.

  2. Test study of boron nitride as a new detector material for dosimetry in high-energy photon beams

    Science.gov (United States)

    Poppinga, D.; Halbur, J.; Lemmer, S.; Delfs, B.; Harder, D.; Looe, H. K.; Poppe, B.

    2017-09-01

    The aim of this test study is to check whether boron nitride (BN) might be applied as a detector material in high-energy photon-beam dosimetry. Boron nitride exists in various crystalline forms. Hexagonal boron nitride (h-BN) possesses high mobility of the electrons and holes as well as a high volume resistivity, so that ionizing radiation in the clinical range of the dose rate can be expected to produce a measurable electrical current at low background current. Due to the low atomic numbers of its constituents, its density (2.0 g cm‑3) similar to silicon and its commercial availability, h-BN appears as possibly suitable for the dosimetry of ionizing radiation. Five h-BN plates were contacted to triaxial cables, and the detector current was measured in a solid-state ionization chamber circuit at an applied voltage of 50 V. Basic dosimetric properties such as formation by pre-irradiation, sensitivity, reproducibility, linearity and temporal resolution were measured with 6 MV photon irradiation. Depth dose curves at quadratic field sizes of 10 cm and 40 cm were measured and compared to ionization chamber measurements. After a pre-irradiation with 6 Gy, the devices show a stable current signal at a given dose rate. The current–voltage characteristic up to 400 V shows an increase in the collection efficiency with the voltage. The time-resolved detector current behavior during beam interrupts is comparable to diamond material, and the background current is negligible. The measured percentage depth dose curves at 10 cm  ×  10 cm field size agreed with the results of ionization chamber measurements within  ±2%. This is a first study of boron nitride as a detector material for high-energy photon radiation. By current measurements on solid ionization chambers made from boron nitride chips we could demonstrate that boron nitride is in principle suitable as a detector material for high-energy photon-beam dosimetry.

  3. Ti-doped indium tin oxide thin films for transparent field-effect transistors: control of charge-carrier density and crystalline structure.

    Science.gov (United States)

    Kim, Ji-In; Ji, Kwang Hwan; Jang, Mi; Yang, Hoichang; Choi, Rino; Jeong, Jae Kyeong

    2011-07-01

    Indium tin oxide (ITO) films are representative transparent conducting oxide media for organic light-emitting diodes, liquid crystal displays, and solar cell applications. Extending the utility of ITO films from passive electrodes to active channel layers in transparent field-effect transistors (FETs), however, has been largely limited because of the materials' high carrier density (>1 × 10(20) cm(-3)), wide band gap, and polycrystalline structure. Here, we demonstrate that control over the cation composition in ITO-based oxide films via solid doping of titanium (Ti) can optimize the carrier concentration and suppress film crystallization. On 120 nm thick SiO(2)/Mo (200 nm)/glass substrates, transparent n-type FETs prepared with 4 at % Ti-doped ITO films and fabricated via the cosputtering of ITO and TiO(2) exhibited high electron mobilities of 13.4 cm(2) V(-1) s(-1), a low subthreshold gate swing of 0.25 V decade(-1), and a high I(on/)I(off) ratio of >1 × 10(8).

  4. Boronated liposome development and evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Hawthorne, M.F. [Univ. of California, Los Angeles, CA (United States)

    1995-11-01

    The boronated liposome development and evaluation effort consists of two separate tasks. The first is the development of new boron compounds and the synthesis of known boron species with BNCT potential. These compounds are then encapsulated within liposomes for the second task, biodistribution testing in tumor-bearing mice, which examines the potential for the liposomes and their contents to concentrate boron in cancerous tissues.

  5. The Influence of Parameters Affecting Boron Removal by Electrocoagulation Process

    KAUST Repository

    Zeboudji, B.

    2013-04-01

    Boron removal in seawater desalination presents a particular challenge. In seawater reverse osmosis (SWRO) systems boron removal at low concentration (<0.5 mg/L) is usually achieved by a second pass using brackish water RO membranes. However, this process requires chemical addition and important additional investment, operation and maintenance, and energy costs. Electrocoagulation (EC) process can be used to achieve such low boron concentration. In this work, the removal of boron from aqueous solution was carried out by EC process using aluminum and iron electrodes. Several operating parameters on the removal efficiency such as initial pH, current density, initial boron ion concentration, feed concentration, gap between electrodes, and electrode material, were investigated. In the case of bipolar electrocoagulation (BEC), an optimum removal efficiency of 96% corresponding to a final boron concentration of 0.4 mg/L was achieved at a current density of 6 mA/cm2 and pH = 8 using aluminum electrodes. The concentration of NaCl was 2,500 mg/L and the gap between the electrodes of 0.5 cm. Furthermore, a comparison between monopolar electrocoagulation (MEC) and BEC using both aluminum and iron electrodes was carried out. Results showed that the BEC process has reduced the current density applied to obtain high level of boron removal in a short reaction time compared to MEC process. The high performance of the EC showed that the process could be used to reduce boron concentration to acceptable levels at low-cost and more environmentally friendly. © 2013 Copyright Taylor and Francis Group, LLC.

  6. In Vivo Boron Uptake Determination for Boron Neutron Capture Synovectomy

    Energy Technology Data Exchange (ETDEWEB)

    Binello, Emanuela; Shortkroff, Sonya; Yanch, Jacquelyn C.

    1999-06-06

    Boron neutron capture synovectomy (BNCS) has been proposed as a new application of the boron neutron capture reaction for the treatment of rheumatoid arthritis. In BNCS, a boron compound is injected into the joint space, where it is taken up by the synovium. The joint is then irradiated with neutrons of a desired energy range, inducing the boron neutron capture reaction in boron-loaded cells. Boron uptake by the synovium is an important parameter in the assessment of the potential of BNCS and in the determination of whether to proceed to animal irradiations for the testing of therapeutic efficacy. We present results from an investigation of boron uptake in vivo by the synovium.

  7. Structure, nonstoichiometry, and geometrical frustration of α -tetragonal boron

    Science.gov (United States)

    Uemura, Naoki; Shirai, Koun; Eckert, Hagen; Kunstmann, Jens

    2016-03-01

    Recent discoveries of supposedly pure α -tetragonal boron require to revisit its structure. The system is also interesting with respect to a new type of geometrical frustration in elemental crystals, which was found in β -rhombohedral boron. Based on density functional theory calculations, the present study has resolved the structural and thermodynamic characteristics of pure α -tetragonal boron. Different from β -rhombohedral boron, the conditions for stable covalent bonding (a band gap and completely filled valence bands) are almost fulfilled at a composition B52 with two 4 c interstitial sites occupied. This indicates that the ground state of pure α -tetragonal boron is stoichiometric. However, the covalent condition is not perfectly fulfilled because nonbonding in-gap states exist that cannot be eliminated. The half occupation of the 4 c sites yields a macroscopic amount of residual entropy, which is as large as that of β -rhombohedral boron. Therefore α -tetragonal boron can be classified as an elemental crystal with geometrical frustration. Deviations from stoichiometry can occur only at finite temperatures. Thermodynamic considerations show that deviations δ from the stoichiometric composition (B52 +δ) are small and positive. For the reported high-pressure syntheses conditions δ is predicted to be about 0.1 to 0.2. An important difference between pure and C- or N-containing α -tetragonal boron is found in the occupation of interstitial sites: the pure form prefers to occupy the 4 c sites, whereas in C- or N-containing forms, a mixture of 2 a , 8 h , and 8 i sites are occupied. The present article provides relations of site occupation, δ values, and lattice parameters, which enable us to identify pure α -tetragonal boron and distinguish the pure form from other ones.

  8. Phonon transport in single-layer Boron nanoribbons

    CERN Document Server

    Zhang, Zhongwei; Peng, Qing; Chen, Yuanping

    2016-01-01

    Inspired by the successful synthesis of several allotropes, boron sheets have been one of the hottest spot areas of focus in various fields. Here, we study phonon transport in three types of boron nanoribbons with zigzag and armchair edges by using a non-equilibrium Green's function combined with first principles methods. Diverse transport properties are found in the nanoribbons. At the room temperature, their highest thermal conductance can be comparable with that of graphene, while the lowest thermal conductance is less than half of graphene's. The three boron sheets exhibit different anisotropic transport characteristics. Two of these sheets have stronger phonon transport abilities along the zigzag edges than the armchair edges, while in the case of the third, the results are reversed. With the analysis of phonon dispersion, bonding charge density, and simplified models of atomic chains, the mechanisms of the diverse phonon properties are discussed. Because all boron allotropes consists of hexagonal and tr...

  9. Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

    DEFF Research Database (Denmark)

    Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt;

    1997-01-01

    Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

  10. Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

    DEFF Research Database (Denmark)

    Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt

    1997-01-01

    Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

  11. Magnetron sputtering synthesis of large area well-ordered boron nanowire arrays

    Institute of Scientific and Technical Information of China (English)

    CAO; Limin; ZHANG; Ze; WANG; Wenkui

    2004-01-01

    One-dimensionally nanostructured materials, such as nanowires and nanotubes, are the smallest dimensional structures for efficient transport of electrons and excitons, and are therefore critical building blocks for nanoscale electronic and mechanical devices. In this paper, boron nanowires with uniform diameters from 20 to 80nm were synthesized by radio-frequency magnetron sputtering of pure boron powder and B2O3 powder mixtures in argon atmosphere. The boron nanowires produced stand vertically on the substrate surface to form well-ordered arrays over large areas with selforganized arrangements without involvement of any template and patterned catalyst. The high-density boron nanowires are parallel to each other and well distributed, forming highly ordered and uniform arrays. A more interesting and unique feature of the boron nanowires is that most of their tips are flat rather than hemispherical in morphologies.Detailed studies on its structure and composition indicate that boron nanowires are amorphous. Boron nanowire appears as a new member in the family of one-dimensional nanostructures. Considering the unique properties of boron-rich solids and other nanostructures, it is reasonable to expect that the boron nanowires will display some exceptional and interesting properties. A vapor-cluster-solid (VCS) mechanism was proposed to explain the growth of boron nanowires based on our experimental observations.

  12. Boron Nitride sheet as a novel surface for medical adsorption and drug synthesis

    OpenAIRE

    M. Zawari

    2015-01-01

    In this study we investigate Adenine, Guanine, Cytosine and Thymine moleculesadsorption on Boron Nitride by Density-functional theory (DFT). For this purpose we calculate adsorption energy (∆Ead), HOMO- LUMO energy gap(∆Eg), voltage difference (∆V) and (∆q) of Adenine, Guanine, Cytosine and Thymine molecules on different adsorption distances on Boron Nitride layer and compare them.

  13. An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

    Science.gov (United States)

    Mirzaei, Mahmoud; Hadipour, Nasser L

    2006-04-13

    Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory. The calculations were carried out at the B3LYP and B3PW91 levels with the 6-311++G basis set via the Gaussian 98 package. Nuclear quadrupole coupling constants, C(Q), and asymmetry parameters, eta(Q), are reported for (14)N and (2)H. The chemical shielding anisotropy, Deltasigma, and chemical shielding isotropy, sigma(iso), are also reported for (15)N and (1)H. The difference between the calculated parameters of the monomer and heptameric layer-like cluster 9-MA shows how much H-bonding interactions affect the EFG and CS tensors of each nucleus. This result indicates that N(10) (imino nitrogen) has a major role in H-bonding interactions, whereas that of N(9) is negligible. There is good agreement between the present calculated parameters and reported experimental data. Although some discrepancies were observed, this could be attributed to the different conditions which were applied for calculation and the experiments.

  14. Plasma boron and the effects of boron supplementation in males.

    Science.gov (United States)

    Green, N R; Ferrando, A A

    1994-11-01

    Recently, a proliferation of athletic supplements has been marketed touting boron as an ergogenic aid capable of increasing testosterone. The effect of boron supplementation was investigated in male bodybuilders. Ten male bodybuilders (aged 20 to 26) were given a 2.5-mg boron supplement, while nine male bodybuilders (aged 21 to 27) were given a placebo for 7 weeks. Plasma total and free testosterone, plasma boron, lean body mass, and strength measurements were determined on day 1 and day 49 of the study. A microwave digestion procedure followed by inductively coupled argon plasma spectroscopy was used for boron determination. Twelve subjects had boron values at or above the detection limit with median value of 25 ng/ml (16 ng/ml lower quartile and 33 ng/ml upper quartile). Of the ten subjects receiving boron supplements, six had an increase in their plasma boron. Analysis of variance indicated no significant effect of boron supplementation on any of the other dependent variables. Both groups demonstrated significant increases in total testosterone (p bodybuilding can increase total testosterone, lean body mass, and strength in lesser-trained bodybuilders, but boron supplementation affects these variables not at all.

  15. Boron contamination in drinking - irrigation water and boron removal methods

    Directory of Open Access Journals (Sweden)

    Meltem Bilici Başkan

    2014-03-01

    Full Text Available Boron presents in IIIA group of periodic table and has high ionization capacity. Therefore it is classified as a metalloid. Average boron concentration in earth's crust is 10 mg/kg. It presents in the environment as a salts of Ca, Na, and Mg. Boron reserves having high concentration and economical extent are found mostly in Turkey and in arid, volcanic and high hydrothermal activity regions of U.S. as compounds of boron attached to oxygen. Boron is an essential micronutrient for plants, although it may be toxic at higher levels. The range in which it is converted from a nutrient to a contaminant is quite narrow. Boron presents in water environment as a boric acid and rarely borate salts. The main boron sources, whose presence is detected in surface waters, are urban wastes and industrial wastes, which can come from a wide range of different activities as well as several chemical products used in agriculture. In Turkey, the most pollutant toxic element in drinking and irrigation water is boron. Therefore boron removal is very important in terms of human health and agricultural products in high quality. Mainly boron removal methods from drinking water and irrigation water are ion exchange, ultrafiltration, reverse osmosis, and adsorption.

  16. Methods of producing continuous boron carbide fibers

    Energy Technology Data Exchange (ETDEWEB)

    Garnier, John E.; Griffith, George W.

    2015-12-01

    Methods of producing continuous boron carbide fibers. The method comprises reacting a continuous carbon fiber material and a boron oxide gas within a temperature range of from approximately 1400.degree. C. to approximately 2200.degree. C. Continuous boron carbide fibers, continuous fibers comprising boron carbide, and articles including at least a boron carbide coating are also disclosed.

  17. Bright prospects for boron

    NARCIS (Netherlands)

    Wassink, J.

    2012-01-01

    Professor Lis Nanver at Dimes has laid the foundation for a range of new photodetectors by creating a thin coating of boron on a silicon substrate. The sensors are used in ASML’s latest lithography machines and FEI’s most sensitive electron microscopes.

  18. Bright prospects for boron

    NARCIS (Netherlands)

    Wassink, J.

    2012-01-01

    Professor Lis Nanver at Dimes has laid the foundation for a range of new photodetectors by creating a thin coating of boron on a silicon substrate. The sensors are used in ASML’s latest lithography machines and FEI’s most sensitive electron microscopes.

  19. Nothing Boring About Boron.

    Science.gov (United States)

    Pizzorno, Lara

    2015-08-01

    The trace mineral boron is a micronutrient with diverse and vitally important roles in metabolism that render it necessary for plant, animal, and human health, and as recent research suggests, possibly for the evolution of life on Earth. As the current article shows, boron has been proven to be an important trace mineral because it (1) is essential for the growth and maintenance of bone; (2) greatly improves wound healing; (3) beneficially impacts the body's use of estrogen, testosterone, and vitamin D; (4) boosts magnesium absorption; (5) reduces levels of inflammatory biomarkers, such as high-sensitivity C-reactive protein (hs-CRP) and tumor necrosis factor α (TNF-α); (6) raises levels of antioxidant enzymes, such as superoxide dismutase (SOD), catalase, and glutathione peroxidase; (7) protects against pesticide-induced oxidative stress and heavy-metal toxicity; (8) improves the brains electrical activity, cognitive performance, and short-term memory for elders; (9) influences the formation and activity of key biomolecules, such as S-adenosyl methionine (SAM-e) and nicotinamide adenine dinucleotide (NAD(+)); (10) has demonstrated preventive and therapeutic effects in a number of cancers, such as prostate, cervical, and lung cancers, and multiple and non-Hodgkin's lymphoma; and (11) may help ameliorate the adverse effects of traditional chemotherapeutic agents. In none of the numerous studies conducted to date, however, do boron's beneficial effects appear at intakes > 3 mg/d. No estimated average requirements (EARs) or dietary reference intakes (DRIs) have been set for boron-only an upper intake level (UL) of 20 mg/d for individuals aged ≥ 18 y. The absence of studies showing harm in conjunction with the substantial number of articles showing benefits support the consideration of boron supplementation of 3 mg/d for any individual who is consuming a diet lacking in fruits and vegetables or who is at risk for or has osteopenia; osteoporosis; osteoarthritis (OA

  20. Oxidation of Silicon and Boron in Boron Containing Molten Iron

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new process of directly smelting boron steel from boron-containing pig iron has been established. The starting material boron-containing pig iron was obtained from ludwigite ore, which is very abundant in the eastern area of Liaoning Province of China. The experiment was performed in a medium-frequency induction furnace, and Fe2O3 powder was used as the oxidizing agent. The effects of temperature, addition of Fe2O3, basicity, stirring, and composition of melt on the oxidation of silicon and boron were investigated respectively. The results showed that silicon and boron were oxidized simultaneously and their oxidation ratio exceeded 90% at 1 400 ℃. The favorable oxidation temperature of silicon was about 1 300-1 350 C. High oxygen potential of slag and strong stirring enhanced the oxidation of silicon and boron.

  1. Disorder and defects are not intrinsic to boron carbide

    Science.gov (United States)

    Mondal, Swastik; Bykova, Elena; Dey, Somnath; Ali, Sk Imran; Dubrovinskaia, Natalia; Dubrovinsky, Leonid; Parakhonskiy, Gleb; van Smaalen, Sander

    2016-01-01

    A unique combination of useful properties in boron-carbide, such as extreme hardness, excellent fracture toughness, a low density, a high melting point, thermoelectricity, semi-conducting behavior, catalytic activity and a remarkably good chemical stability, makes it an ideal material for a wide range of technological applications. Explaining these properties in terms of chemical bonding has remained a major challenge in boron chemistry. Here we report the synthesis of fully ordered, stoichiometric boron-carbide B13C2 by high-pressure–high-temperature techniques. Our experimental electron-density study using high-resolution single-crystal synchrotron X-ray diffraction data conclusively demonstrates that disorder and defects are not intrinsic to boron carbide, contrary to what was hitherto supposed. A detailed analysis of the electron density distribution reveals charge transfer between structural units in B13C2 and a new type of electron-deficient bond with formally unpaired electrons on the C–B–C group in B13C2. Unprecedented bonding features contribute to the fundamental chemistry and materials science of boron compounds that is of great interest for understanding structure-property relationships and development of novel functional materials.

  2. Disorder and defects are not intrinsic to boron carbide.

    Science.gov (United States)

    Mondal, Swastik; Bykova, Elena; Dey, Somnath; Ali, Sk Imran; Dubrovinskaia, Natalia; Dubrovinsky, Leonid; Parakhonskiy, Gleb; van Smaalen, Sander

    2016-01-18

    A unique combination of useful properties in boron-carbide, such as extreme hardness, excellent fracture toughness, a low density, a high melting point, thermoelectricity, semi-conducting behavior, catalytic activity and a remarkably good chemical stability, makes it an ideal material for a wide range of technological applications. Explaining these properties in terms of chemical bonding has remained a major challenge in boron chemistry. Here we report the synthesis of fully ordered, stoichiometric boron-carbide B13C2 by high-pressure-high-temperature techniques. Our experimental electron-density study using high-resolution single-crystal synchrotron X-ray diffraction data conclusively demonstrates that disorder and defects are not intrinsic to boron carbide, contrary to what was hitherto supposed. A detailed analysis of the electron density distribution reveals charge transfer between structural units in B13C2 and a new type of electron-deficient bond with formally unpaired electrons on the C-B-C group in B13C2. Unprecedented bonding features contribute to the fundamental chemistry and materials science of boron compounds that is of great interest for understanding structure-property relationships and development of novel functional materials.

  3. Behavior of disordered boron carbide under stress.

    Science.gov (United States)

    Fanchini, Giovanni; McCauley, James W; Chhowalla, Manish

    2006-07-21

    Gibbs free-energy calculations based on density functional theory have been used to determine the possible source of failure of boron carbide just above the Hugoniot elastic limit (HEL). A range of B4C polytypes is found to be stable at room pressure. The energetic barrier for shock amorphization of boron carbide is by far the lowest for the B12(CCC) polytype, requiring only 6 GPa approximately = P(HEL) for collapse under hydrostatic conditions. The results clearly demonstrate that the collapse of the B12(CCC) phase leads to segregation of B12 and amorphous carbon in the form of 2-3 nm bands along the (113) lattice direction, in excellent agreement with recent transmission electron microscopy results.

  4. Crystalline and Crystalline International Disposal Activities

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-06

    This report presents the results of work conducted between September 2015 and July 2016 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program. Los Alamos focused on two main activities during this period: Discrete fracture network (DFN) modeling to describe flow and radionuclide transport in complex fracture networks that are typical of crystalline rock environments, and a comprehensive interpretation of three different colloid-facilitated radionuclide transport experiments conducted in a fractured granodiorite at the Grimsel Test Site in Switzerland between 2002 and 2013. Chapter 1 presents the results of the DFN work and is divided into three main sections: (1) we show results of our recent study on the correlation between fracture size and fracture transmissivity (2) we present an analysis and visualization prototype using the concept of a flow topology graph for characterization of discrete fracture networks, and (3) we describe the Crystalline International work in support of the Swedish Task Force. Chapter 2 presents interpretation of the colloidfacilitated radionuclide transport experiments in the crystalline rock at the Grimsel Test Site.

  5. Experimental realization of two-dimensional boron sheets.

    Science.gov (United States)

    Feng, Baojie; Zhang, Jin; Zhong, Qing; Li, Wenbin; Li, Shuai; Li, Hui; Cheng, Peng; Meng, Sheng; Chen, Lan; Wu, Kehui

    2016-06-01

    A variety of two-dimensional materials have been reported in recent years, yet single-element systems such as graphene and black phosphorus have remained rare. Boron analogues have been predicted, as boron atoms possess a short covalent radius and the flexibility to adopt sp(2) hybridization, features that favour the formation of two-dimensional allotropes, and one example of such a borophene material has been reported recently. Here, we present a parallel experimental work showing that two-dimensional boron sheets can be grown epitaxially on a Ag(111) substrate. Two types of boron sheet, a β12 sheet and a χ3 sheet, both exhibiting a triangular lattice but with different arrangements of periodic holes, are observed by scanning tunnelling microscopy. Density functional theory simulations agree well with experiments, and indicate that both sheets are planar without obvious vertical undulations. The boron sheets are quite inert to oxidization and interact only weakly with their substrate. We envisage that such boron sheets may find applications in electronic devices in the future.

  6. Structures, stability, mechanical and electronic properties of α-boron and α*-boron

    OpenAIRE

    Chaoyu He; J. X. Zhong

    2013-01-01

    The structures, stability, mechanical and electronic properties of α-boron and a promising metastable boron phase (α*-boron) have been studied by first-principles calculations. α-boron and α*-boron consist of equivalent icosahedra B12 clusters in different connecting configurations of “3S-6D-3S” and “2S-6D-4S”, respectively. The total energy calculations show that α*-boron is less stable than α-boron but more favorable than the well-known β-boron and γ-boron at zero pressure. Both α-boron and...

  7. Crystalline Silica Primer

    Science.gov (United States)

    ,

    1992-01-01

    Crystalline silica is the scientific name for a group of minerals composed of silicon and oxygen. The term crystalline refers to the fact that the oxygen and silicon atoms are arranged in a threedimensional repeating pattern. This group of minerals has shaped human history since the beginning of civilization. From the sand used for making glass to the piezoelectric quartz crystals used in advanced communication systems, crystalline silica has been a part of our technological development. Crystalline silica's pervasiveness in our technology is matched only by its abundance in nature. It's found in samples from every geologic era and from every location around the globe. Scientists have known for decades that prolonged and excessive exposure to crystalline silica dust in mining environments can cause silicosis, a noncancerous lung disease. During the 1980's, studies were conducted that suggested that crystalline silica also was a carcinogen. As a result of these findings, crystalline silica has been regulated under the Occupational Safety and Health Administration's (OSHA) Hazard Communication Standard (HCS). Under HCS, OSHAregulated businesses that use materials containing 0.1% or more crystalline silica must follow Federal guidelines concerning hazard communication and worker training. Although the HCS does not require that samples be analyzed for crystalline silica, mineral suppliers or OSHAregulated

  8. Fivefold twinned boron carbide nanowires.

    Science.gov (United States)

    Fu, Xin; Jiang, Jun; Liu, Chao; Yuan, Jun

    2009-09-01

    Chemical composition and crystal structure of fivefold twinned boron carbide nanowires have been determined by electron energy-loss spectroscopy and electron diffraction. The fivefold cyclic twinning relationship is confirmed by systematic axial rotation electron diffraction. Detailed chemical analysis reveals a carbon-rich boron carbide phase. Such boron carbide nanowires are potentially interesting because of their intrinsic hardness and high temperature thermoelectric property. Together with other boron-rich compounds, they may form a set of multiply twinned nanowire systems where the misfit strain could be continuously tuned to influence their mechanical properties.

  9. Equations of state and melting curve of boron carbide in the high-pressure range of shock compression

    Energy Technology Data Exchange (ETDEWEB)

    Molodets, A. M., E-mail: molodets@icp.ac.ru; Golyshev, A. A.; Shakhrai, D. V. [Russian Academy of Sciences, Institute for Problems in Chemical Physics (Russian Federation)

    2017-03-15

    We have constructed the equations of state for crystalline boron carbide B{sub 11}C (C–B–C) and its melt under high dynamic and static pressures. A kink on the shock adiabat for boron carbide has been revealed in the pressure range near 100 GPa, and the melting curve with negative curvature in the pressure range 0–120 GPa has been calculated. The results have been used for interpreting the kinks on the shock adiabat for boron carbide in the pressure range of 0–400 GPa.

  10. Standard specification for boron-Based neutron absorbing material systems for use in nuclear spent fuel storage racks

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2011-01-01

    1.1 This specification defines criteria for boron-based neutron absorbing material systems used in racks in a pool environment for storage of nuclear light water reactor (LWR) spent-fuel assemblies or disassembled components to maintain sub-criticality in the storage rack system. 1.2 Boron-based neutron absorbing material systems normally consist of metallic boron or a chemical compound containing boron (for example, boron carbide, B4C) supported by a matrix of aluminum, steel, or other materials. 1.3 In a boron-based absorber, neutron absorption occurs primarily by the boron-10 isotope that is present in natural boron to the extent of 18.3 ± 0.2 % by weight (depending upon the geological origin of the boron). Boron, enriched in boron-10 could also be used. 1.4 The materials systems described herein shall be functional – that is always be capable to maintain a B10 areal density such that subcriticality Keff <0.95 or Keff <0.98 or Keff < 1.0 depending on the design specification for the service...

  11. Modeling hydrogen storage in boron-substituted graphene decorated with potassium metal atoms

    CSIR Research Space (South Africa)

    Tokarev, A

    2015-03-01

    Full Text Available Boron-substituted graphene decorated with potassium metal atoms was considered as a novel material for hydrogen storage. Density functional theory calculations were used to model key properties of the material, such as geometry, hydrogen packing...

  12. Interstitial Boron-Doped TiO2 Thin Films: The Significant Effect of Boron on TiO2 Coatings Grown by Atmospheric Pressure Chemical Vapor Deposition.

    Science.gov (United States)

    Quesada-González, Miguel; Boscher, Nicolas D; Carmalt, Claire J; Parkin, Ivan P

    2016-09-28

    The work presented here describes the preparation of transparent interstitial boron-doped TiO2 thin-films by atmospheric pressure chemical vapor deposition (APCVD). The interstitial boron-doping, on TiO2, proved by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD), is shown to enhance the crystallinity and significantly improve the photocatalytic activity of the TiO2 films. The synthesis, highly suitable for a reel-to-reel process, has been carried out in one step.

  13. Influence of nanocrystalline boron precursor powder on superconductivity in MgB2 bulk.

    Science.gov (United States)

    Zhang, Yun; Lu, Cheng; Zhou, Sihai; Joo, Jinho

    2009-12-01

    In this report, high-purity nanocrystalline boron powders processed by ball-milling were used as the precursor powders to fabricate MgB2 superconductor. The transport properties and the critical current density in the samples made from ball-milled boron powders and as-supplied boron powders were investigated. It was found that the ball-milled boron powders led to a significant enhancement of the critical current density in MgB2 sintered at 650 degrees C. The reason can be attributed to the small MgB2 grain size caused by the ball-milled boron precursor powders. The resistivity of the samples made from the ball-milled boron powder was lower than that of the sample from as-supplied boron powder. As the sintering temperature increased, both resistivity and upper critical field decreased in the samples using the ball-milled boron powders as a precursor. Poor connectivity and large strain are responsible for the high resistivity.

  14. Boron isotopic compositions of some boron minerals

    Energy Technology Data Exchange (ETDEWEB)

    Oi, Takao; Musashi, Masaaki; Ossaka, Tomoko; Kakihana, Hidetake (Sophia Univ., Tokyo (Japan)); Nomura, Masao; Okamoto, Makoto (Tokyo Institute of Technology (Japan))

    1989-12-01

    Boron minerals that have different structural formulae but are supposed to have the same geologic origin have been collected and analyzed for the {sup 11}B/{sup 10}B isotopic ratio. It has been reconfirmed that minerals of marine origin have higher {sup 11}B/{sup 10}B ratios than those of nonmarine origin. It has been found that the sequence of decreasing {sup 11}B/{sup 10}B values among the minerals with the same geologic origin is; borax, tincal, kernite (Na borates) > ulexite (Na/Ca borate) > colemanite, iyoite, meyerhofferite (Ca borates). This sequence is explainable on the basis of the difference in crystal structure among the minerals. That is, minerals with high BO{sub 3}/BO{sub 4} ratios, (the ratio of the number of the BO{sub 3} triangle units to the number of the BO{sub 4} tetrahedron units in the structural formula of a mineral) have higher {sup 11}B/{sup 10}B ratios.

  15. Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk [Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Alfè, Dario [Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT (United Kingdom); Lilienfeld, O. Anatole von [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratories, 9700 S. Cass Avenue Argonne, Lemont, Illinois 60439 (United States)

    2015-05-14

    Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of −84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.

  16. Superhard Semiconducting Optically Transparent High Pressure Phase of Boron

    Science.gov (United States)

    Zarechnaya, E. Yu.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; El Goresy, A.; Braun, H. F.; van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A. S.; Abrikosov, I. A.; Simak, S. I.

    2009-05-01

    An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. The structure, determined by single-crystal x-ray diffraction, consists of B12 icosahedra and B2 dumbbells. The charge density distribution obtained from experimental data and ab initio calculations suggests covalent chemical bonding in this phase. Strong covalent interatomic interactions explain the low compressibility value (bulk modulus is K300=227GPa) and high hardness of high-pressure boron (Vickers hardness HV=58GPa), after diamond the second hardest elemental material.

  17. Functionalized boron nitride nanotubes

    Science.gov (United States)

    Sainsbury, Toby; Ikuno, Takashi; Zettl, Alexander K

    2014-04-22

    A plasma treatment has been used to modify the surface of BNNTs. In one example, the surface of the BNNT has been modified using ammonia plasma to include amine functional groups. Amine functionalization allows BNNTs to be soluble in chloroform, which had not been possible previously. Further functionalization of amine-functionalized BNNTs with thiol-terminated organic molecules has also been demonstrated. Gold nanoparticles have been self-assembled at the surface of both amine- and thiol-functionalized boron nitride Nanotubes (BNNTs) in solution. This approach constitutes a basis for the preparation of highly functionalized BNNTs and for their utilization as nanoscale templates for assembly and integration with other nanoscale materials.

  18. Chronic boron exposure and human semen parameters.

    Science.gov (United States)

    Robbins, Wendie A; Xun, Lin; Jia, Juan; Kennedy, Nola; Elashoff, David A; Ping, Liu

    2010-04-01

    Boron found as borates in soil, food, and water has important industrial and medical applications. A panel reviewing NTP reproductive toxicants identified boric acid as high priority for occupational studies to determine safe versus adverse reproductive effects. To address this, we collected boron exposure/dose measures in workplace inhalable dust, dietary food/fluids, blood, semen, and urine from boron workers and two comparison worker groups (n=192) over three months and determined correlations between boron and semen parameters (total sperm count, sperm concentration, motility, morphology, DNA breakage, apoptosis and aneuploidy). Blood boron averaged 499.2 ppb for boron workers, 96.1 and 47.9 ppb for workers from high and low environmental boron areas (pBoron concentrated in seminal fluid. No significant correlations were found between blood or urine boron and adverse semen parameters. Exposures did not reach those causing adverse effects published in animal toxicology work but exceeded those previously published for boron occupational groups.

  19. Hydrogen-induced boron passivation in Cz Si

    Energy Technology Data Exchange (ETDEWEB)

    Castaldini, A.; Cavalcoli, D.; Cavallini, A. [INFM and Physics Department, Viale Berti Pichat 6/2, 40137 Bologna (Italy); Susi, E. [CNR-LAMEL, Via Gobetti 101, 40129 Bologna (Italy)

    2002-11-01

    Acceptor deactivation in the near-surface region of as-grown, boron-doped Si wafers was detected by in-depth profiles of the free-carrier density obtained by capacitance-voltage measurements. As this deactivation was only observed in wafers subjected to the standard cleaning procedures used in Si manufacturing, we ascribed it to boron passivation by an impurity introduced during the cleaning process. From the study of the free-carrier reactivation kinetics and of the diffusion behaviour of boron-impurity complexes, we have concluded that the impurity is possibly related to hydrogen introduced during the cleaning treatments. The characteristics of the deep level associated with this impurity have been analysed by deep-level transient spectroscopy. (orig.)

  20. Phonon transport in single-layer boron nanoribbons

    Science.gov (United States)

    Zhang, Zhongwei; Xie, Yuee; Peng, Qing; Chen, Yuanping

    2016-11-01

    Inspired by the successful synthesis of three two-dimensional (2D) allotropes, the boron sheet has recently been one of the hottest 2D materials around. However, to date, phonon transport properties of these new materials are still unknown. By using the non-equilibrium Green’s function (NEGF) combined with the first principles method, we study ballistic phonon transport in three types of boron sheets; two of them correspond to the structures reported in the experiments, while the third one is a stable structure that has not been synthesized yet. At room temperature, the highest thermal conductance of the boron nanoribbons is comparable with that of graphene, while the lowest thermal conductance is less than half of graphene’s. Compared with graphene, the three boron sheets exhibit diverse anisotropic transport characteristics. With an analysis of phonon dispersion, bonding charge density, and simplified models of atomic chains, the mechanisms of the diverse phonon properties are discussed. Moreover, we find that many hybrid patterns based on the boron allotropes can be constructed naturally without doping, adsorption, and defects. This provides abundant nanostructures for thermal management and thermoelectric applications.

  1. Mechanical properties and stabilities of α-boron monolayers.

    Science.gov (United States)

    Peng, Qing; Han, Liang; Wen, Xiaodong; Liu, Sheng; Chen, Zhongfang; Lian, Jie; De, Suvranu

    2015-01-21

    We investigate the mechanical properties and stabilities of planar α-boron monolayers under various large strains using density functional theory (DFT). α-Boron has a high in-plane stiffness, about 2/3 of that of graphene, which suggests that α-boron is four times as strong as iron. Potential profiles and stress-strain curves indicate that a free standing α-boron monolayer can sustain large tensile strains, up to 0.12, 0.16, and 0.18 for armchair, zigzag, and biaxial deformations, respectively. Third, fourth, and fifth order elastic constants are indispensable for accurate modeling of the mechanical properties under strains larger than 0.02, 0.06, and 0.08 respectively. Second order elastic constants, including in-plane stiffness, are predicted to monotonically increase with pressure, while the trend of Poisson's ratio is reversed. The surface sound speeds of both the compressional and shear waves increase with pressure. The ratio of these two sound speeds increases with the increase of pressure and converges to a value of 2.5. Our results imply that α-boron monolayers are mechanically stable under various large strains and have advanced mechanical properties - high strength and high flexibility.

  2. Crystalline Silicon Dielectrics for Superconducting Qubit Circuits

    Science.gov (United States)

    Hover, David; Peng, Weina; Sendelbach, Steven; Eriksson, Mark; McDermott, Robert

    2009-03-01

    Superconducting qubit energy relaxation times are limited by microwave loss induced by a continuum of two-level state (TLS) defects in the dielectric materials of the circuit. State-of-the-art phase qubit circuits employ a micron-scale Josephson junction shunted by an external capacitor. In this case, the qubit T1 time is directly proportional to the quality factor (Q) of the capacitor dielectric. The amorphous capacitor dielectrics that have been used to date display intrinsic Q of order 10^3 to 10^4. Shunt capacitors with a Q of 10^6 are required to extend qubit T1 times well into the microsecond range. Crystalline dielectric materials are an attractive candidate for qubit capacitor dielectrics, due to the extremely low density of TLS defects. However, the robust integration of crystalline dielectrics with superconducting qubit circuits remains a challenge. Here we describe a novel approach to the realization of high-Q crystalline capacitor dielectrics for superconducting qubit circuits. The capacitor dielectric is a crystalline silicon nanomembrane. We discuss characterization of crystalline silicon capacitors with low-power microwave transport measurements at millikelvin temperatures. In addition, we report progress on integrating the crystalline capacitor process with Josephson qubit fabrication.

  3. THE DEGREE OF CRYSTALLINITY OF NYLON-1010 BY WAXD

    Institute of Scientific and Technical Information of China (English)

    MO Zhishen; HUANG Xueying; ZHANG Hongfang; YANG Baoquan; ZHU Chengshen; MU Zhongcheng

    1994-01-01

    Based on the X-ray scattering intensity theory and using the atomic scattering factor approximate expression,the correction factors for three main crystalline peaks and an amorphous peak of Nylon-1010 were calculated and the formula of degree of crystallinity of Nylon-1010 was derived by graphic multipeak resolution method.The results calculated are compatible with the density measurement and calorimetry.

  4. Rapid accurate isotopic measurements on boron in boric acid and boron carbide.

    Science.gov (United States)

    Duchateau, N L; Verbruggen, A; Hendrickx, F; De Bièvre, P

    1986-04-01

    A procedure is described whereby rapid and accurate isotopic measurements can be performed on boron in boric acid and boron carbide after fusion of these compounds with calcium carbonate. It allows the determination of the isotopic composition of boron in boric acid and boron carbide and the direct assay of boron or the (10)B isotope in boron carbide by isotope-dilution mass spectrometry.

  5. A systematic investigation of hydrogen-bonding effects on the 17O, 14N, and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated cytosine crystalline structures: a density functional theory study.

    Science.gov (United States)

    Mirzaei, Mahmoud; Elmi, Fatemeh; Hadipour, Nasser L

    2006-06-08

    A systematic computational study was carried out to characterize the 17O, 14N, and 2H nuclear quadrupole resonance (NQR) parameters in the anhydrous and monohydrated cytosine crystalline structures. To include the hydrogen-bonding effects in the calculations, the most probable interacting molecules with the central molecule in the crystalline phase were considered in the pentameric clusters of both structures. To calculate the parameters, couples of the methods B3LYP and B3PW91 and the basis sets 6-311++G** and CC-pVTZ were employed. The mentioned methods calculated reliable values of 17O, 14N, and 2H NQR tensors in the pentameric clusters, which are in good agreements with the experiment. The different influences of various hydrogen-bonding interactions types, N-H...N, N-H...O, and O-H...O, were observed on the 17O, 14N, and 2H NQR tensors. Lower values of quadrupole coupling constants and higher values of asymmetry parameters in the crystalline monohydrated cytosine indicate the presence of stronger hydrogen-bonding interactions in the monohydrated form rather than that of crystalline anhydrous cytosine.

  6. A new and effective approach to boron removal by using novel boron-specific fungi isolated from boron mining wastewater.

    Science.gov (United States)

    Taştan, Burcu Ertit; Çakir, Dilara Nur; Dönmez, Gönül

    2016-01-01

    Boron-resistant fungi were isolated from the wastewater of a boron mine in Turkey. Boron removal efficiencies of Penicillium crustosum and Rhodotorula mucilaginosa were detected in different media compositions. Minimal Salt Medium (MSM) and two different waste media containing molasses (WM-1) or whey + molasses (WM-2) were tested to make this process cost effective when scaled up. Both isolates achieved high boron removal yields at the highest boron concentrations tested in MSM and WM-1. The maximum boron removal yield by P. crustosum was 45.68% at 33.95 mg l(-1) initial boron concentration in MSM, and was 38.97% at 42.76 mg l(-1) boron for R. mucilaginosa, which seemed to offer an economically feasible method of removing boron from the effluents.

  7. The human crystallin gene families

    Directory of Open Access Journals (Sweden)

    Wistow Graeme

    2012-12-01

    Full Text Available Abstract Crystallins are the abundant, long-lived proteins of the eye lens. The major human crystallins belong to two different superfamilies: the small heat-shock proteins (α-crystallins and the βγ-crystallins. During evolution, other proteins have sometimes been recruited as crystallins to modify the properties of the lens. In the developing human lens, the enzyme betaine-homocysteine methyltransferase serves such a role. Evolutionary modification has also resulted in loss of expression of some human crystallin genes or of specific splice forms. Crystallin organization is essential for lens transparency and mutations; even minor changes to surface residues can cause cataract and loss of vision.

  8. A theranostic approach based on the use of a dual boron/Gd agent to improve the efficacy of Boron Neutron Capture Therapy in the lung cancer treatment.

    Science.gov (United States)

    Alberti, Diego; Protti, Nicoletta; Toppino, Antonio; Deagostino, Annamaria; Lanzardo, Stefania; Bortolussi, Silva; Altieri, Saverio; Voena, Claudia; Chiarle, Roberto; Geninatti Crich, Simonetta; Aime, Silvio

    2015-04-01

    This study aims at developing an innovative theranostic approach for lung tumor and metastases treatment, based on Boron Neutron Capture Therapy (BNCT). It relies on to the use of low density lipoproteins (LDL) as carriers able to maximize the selective uptake of boron atoms in tumor cells and, at the same time, to quantify the in vivo boron distribution by magnetic resonance imaging (MRI). Tumor cells uptake was initially assessed by ICP-MS and MRI on four types of tumor (TUBO, B16-F10, MCF-7, A549) and one healthy (N-MUG) cell lines. Lung metastases were generated by intravenous injection of a Her2+ breast cancer cell line (i.e. TUBO) in BALB/c mice and transgenic EML4-ALK mice were used as primary tumor model. After neutron irradiation, tumor growth was followed for 30-40 days by MRI. Tumor masses of boron treated mice increased markedly slowly than the control group. From the clinical editor: In this article, the authors described an improvement to existing boron neutron capture therapy. The dual MRI/BNCT agent, carried by LDLs, was able to maximize the selective uptake of boron in tumor cells, and, at the same time, quantify boron distribution in tumor and in other tissues using MRI. Subsequent in vitro and in vivo experiments showed tumor cell killing after neutron irradiation. Copyright © 2015 Elsevier Inc. All rights reserved.

  9. Nothing Boring About Boron

    Science.gov (United States)

    Pizzorno, Lara

    2015-01-01

    The trace mineral boron is a micronutrient with diverse and vitally important roles in metabolism that render it necessary for plant, animal, and human health, and as recent research suggests, possibly for the evolution of life on Earth. As the current article shows, boron has been proven to be an important trace mineral because it (1) is essential for the growth and maintenance of bone; (2) greatly improves wound healing; (3) beneficially impacts the body’s use of estrogen, testosterone, and vitamin D; (4) boosts magnesium absorption; (5) reduces levels of inflammatory biomarkers, such as high-sensitivity C-reactive protein (hs-CRP) and tumor necrosis factor α (TNF-α); (6) raises levels of antioxidant enzymes, such as superoxide dismutase (SOD), catalase, and glutathione peroxidase; (7) protects against pesticide-induced oxidative stress and heavy-metal toxicity; (8) improves the brains electrical activity, cognitive performance, and short-term memory for elders; (9) influences the formation and activity of key biomolecules, such as S-adenosyl methionine (SAM-e) and nicotinamide adenine dinucleotide (NAD+); (10) has demonstrated preventive and therapeutic effects in a number of cancers, such as prostate, cervical, and lung cancers, and multiple and non-Hodgkin’s lymphoma; and (11) may help ameliorate the adverse effects of traditional chemotherapeutic agents. In none of the numerous studies conducted to date, however, do boron’s beneficial effects appear at intakes > 3 mg/d. No estimated average requirements (EARs) or dietary reference intakes (DRIs) have been set for boron—only an upper intake level (UL) of 20 mg/d for individuals aged ≥ 18 y. The absence of studies showing harm in conjunction with the substantial number of articles showing benefits support the consideration of boron supplementation of 3 mg/d for any individual who is consuming a diet lacking in fruits and vegetables or who is at risk for or has osteopenia; osteoporosis

  10. PECVD Silicon Nitride Passivation on Boron Emitter: The Analysis of Electrostatic Charge on the Interface Properties

    Directory of Open Access Journals (Sweden)

    Natalita M. Nursam

    2010-01-01

    Full Text Available The dependence of surface recombination of boron diffused and undiffused silicon surfaces passivated with a-SiN:H on the net charge density is investigated in detail. The films are deposited by plasma-enhanced chemical vapour deposition using a 2.45 GHz microwave remote plasma system. The surface charge density on the samples is varied by depositing charge using a corona discharge chamber. Excess carrier lifetime, capacitance-voltage, and Kelvin probe measurements are combined to determine the surface recombination velocity and emitter saturation current density as a function of net charge density. Our results show that the application of negative charge causes a substantial reduction in the surface recombination of samples with boron diffused emitters, even for high boron surface concentrations of 5×1019 cm−3. The significant difference observed in surface recombination between boron diffused and undiffused sample under accumulation implies that the presence of boron diffusion has results in some degradation of the Si-SiN interface. Further, (111 oriented surfaces appear more sensitive to the boron surface concentration than (100 oriented surfaces.

  11. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2010-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

  12. Boron diffusion in silicon devices

    Science.gov (United States)

    Rohatgi, Ajeet; Kim, Dong Seop; Nakayashiki, Kenta; Rounsaville, Brian

    2010-09-07

    Disclosed are various embodiments that include a process, an arrangement, and an apparatus for boron diffusion in a wafer. In one representative embodiment, a process is provided in which a boric oxide solution is applied to a surface of the wafer. Thereafter, the wafer is subjected to a fast heat ramp-up associated with a first heating cycle that results in a release of an amount of boron for diffusion into the wafer.

  13. Combustion of boron containing compositions

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, Y.; Pivkina, A. [Institute of Chemical Physics, Russian Academy of Science, Moscow (Russian Federation)

    1996-12-31

    Boron is one of the most energetic components for explosives, propellants and for heterogeneous condensed systems in common. The combustion process of mixtures of boron with different oxidizers was studied. The burning rate, concentration combustion limits, the agglomeration and dispersion processes during reaction wave propagation were analysed in the respect of the percolation theory. The linear dependence of the burning rate on the contact surface value was demonstrated. The percolative model for the experimental results explanation is proposed. (authors) 5 refs.

  14. Predicted boron-carbide compounds: a first-principles study.

    Science.gov (United States)

    Wang, De Yu; Yan, Qian; Wang, Bing; Wang, Yuan Xu; Yang, Jueming; Yang, Gui

    2014-06-14

    By using developed particle swarm optimization algorithm on crystal structural prediction, we have explored the possible crystal structures of B-C system. Their structures, stability, elastic properties, electronic structure, and chemical bonding have been investigated by first-principles calculations with density functional theory. The results show that all the predicted structures are mechanically and dynamically stable. An analysis of calculated enthalpy with pressure indicates that increasing of boron content will increase the stability of boron carbides under low pressure. Moreover, the boron carbides with rich carbon content become more stable under high pressure. The negative formation energy of predicted B5C indicates its high stability. The density of states of B5C show that it is p-type semiconducting. The calculated theoretical Vickers hardnesses of B-C exceed 40 GPa except B4C, BC, and BC4, indicating they are potential superhard materials. An analysis of Debye temperature and electronic localization function provides further understanding chemical and physical properties of boron carbide.

  15. Effect of dislocation configuration on non-equilibrium boron segregation during cooling

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Different densities and configurations of crystal defects were obtained in an austenitic Fe-30%Ni alloy and an ultra low carbon bainitic (ULCB) alloy by undergoing different deformations and annealing treatments at high temperatures. Boron segregation on grain boundaries and subgrain boundaries during air-cooling were revealed by means of the particle tracking autoradiography technique. It is found that non-equilibrium segregation is resisted in deformed grains after recovery and polygonization, boron-depleted zones seem to be quite clear in recrystallized grains than those in deformed original grains during cooling. Subgrain boundaries and polygonized dislocation cells have a significant effect on non-equilibrium boron segregation during the air-cooling. The results implicates that dislocation configuration is a more important factor affecting boron segregation at grain boundaries rather than the density of defects itself in the grain.

  16. Boron containing poly-(lactide-co-glycolide) (PLGA) scaffolds for bone tissue engineering

    Energy Technology Data Exchange (ETDEWEB)

    Doğan, Ayşegül; Demirci, Selami [Department of Genetics and Bioengineering, Faculty of Engineering and Architecture, Yeditepe University 34755 Istanbul (Turkey); Bayir, Yasin [Department of Biochemistry, Faculty of Pharmacy, Ataturk University, 25240, Erzurum (Turkey); Halici, Zekai [Department of Pharmacology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Karakus, Emre [Department of Pharmacology and Toxicology, Faculty of Veterinary Medicine, Ataturk University, 25240, Erzurum (Turkey); Aydin, Ali [Department of Orthopedics and Traumatology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Cadirci, Elif [Department of Pharmacology, Faculty of Pharmacy, Ataturk University, 25240, Erzurum (Turkey); Albayrak, Abdulmecit [Department of Pharmacology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Demirci, Elif [Department of Pathology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Karaman, Adem [Department of Radiology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Ayan, Arif Kursat [Department of Nuclear Medicine, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Gundogdu, Cemal [Department of Pathology, Faculty of Medicine, Ataturk University, 25240, Erzurum (Turkey); Şahin, Fikrettin, E-mail: fsahin@yeditepe.edu.tr [Department of Genetics and Bioengineering, Faculty of Engineering and Architecture, Yeditepe University 34755 Istanbul (Turkey)

    2014-11-01

    Scaffold-based bone defect reconstructions still face many challenges due to their inadequate osteoinductive and osteoconductive properties. Various biocompatible and biodegradable scaffolds, combined with proper cell type and biochemical signal molecules, have attracted significant interest in hard tissue engineering approaches. In the present study, we have evaluated the effects of boron incorporation into poly-(lactide-co-glycolide-acid) (PLGA) scaffolds, with or without rat adipose-derived stem cells (rADSCs), on bone healing in vitro and in vivo. The results revealed that boron containing scaffolds increased in vitro proliferation, attachment and calcium mineralization of rADSCs. In addition, boron containing scaffold application resulted in increased bone regeneration by enhancing osteocalcin, VEGF and collagen type I protein levels in a femur defect model. Bone mineralization density (BMD) and computed tomography (CT) analysis proved that boron incorporated scaffold administration increased the healing rate of bone defects. Transplanting stem cells into boron containing scaffolds was found to further improve bone-related outcomes compared to control groups. Additional studies are highly warranted for the investigation of the mechanical properties of these scaffolds in order to address their potential use in clinics. The study proposes that boron serves as a promising innovative approach in manufacturing scaffold systems for functional bone tissue engineering. - Highlights: • Boron containing PLGA scaffolds were developed for bone tissue engineering. • Boron incorporation increased cell viability and mineralization of stem cells. • Boron containing scaffolds increased bone-related protein expression in vivo. • Implantation of stem cells on boron containing scaffolds improved bone healing.

  17. Boron Nitride sheet as a novel surface for medical adsorption and drug synthesis

    Directory of Open Access Journals (Sweden)

    M. Zawari

    2015-03-01

    Full Text Available In this study we investigate Adenine, Guanine, Cytosine and Thymine moleculesadsorption on Boron Nitride by Density-functional theory (DFT. For this purpose we calculate adsorption energy (∆Ead, HOMO- LUMO energy gap(∆Eg, voltage difference (∆V and (∆q of Adenine, Guanine, Cytosine and Thymine molecules on different adsorption distances on Boron Nitride layer and compare them.

  18. Embedding Ba Monolayers and Bilayers in Boron Carbide Nanowires

    Science.gov (United States)

    Yu, Zhiyang; Luo, Jian; Shi, Baiou; Zhao, Jiong; Harmer, Martin P.; Zhu, Jing

    2015-11-01

    Aberration corrected high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) was employed to study the distribution of barium atoms on the surfaces and in the interiors of boron carbide based nanowires. Barium based dopants, which were used to control the crystal growth, adsorbed to the surfaces of the boron-rich crystals in the form of nanometer-thick surficial films (a type of surface complexion). During the crystal growth, these dopant-based surface complexions became embedded inside the single crystalline segments of fivefold boron-rich nanowires collectively, where they were converted to more ordered monolayer and bilayer modified complexions. Another form of bilayer complexion stabilized at stacking faults has also been identified. Numerous previous works suggested that dopants/impurities tended to segregate at the stacking faults or twinned boundaries. In contrast, our study revealed the previously-unrecognized possibility of incorporating dopants and impurities inside an otherwise perfect crystal without the association to any twin boundary or stacking fault. Moreover, we revealed the amount of barium dopants incorporated was non-equilibrium and far beyond the bulk solubility, which might lead to unique properties.

  19. Embedding Ba Monolayers and Bilayers in Boron Carbide Nanowires.

    Science.gov (United States)

    Yu, Zhiyang; Luo, Jian; Shi, Baiou; Zhao, Jiong; Harmer, Martin P; Zhu, Jing

    2015-11-26

    Aberration corrected high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) was employed to study the distribution of barium atoms on the surfaces and in the interiors of boron carbide based nanowires. Barium based dopants, which were used to control the crystal growth, adsorbed to the surfaces of the boron-rich crystals in the form of nanometer-thick surficial films (a type of surface complexion). During the crystal growth, these dopant-based surface complexions became embedded inside the single crystalline segments of fivefold boron-rich nanowires collectively, where they were converted to more ordered monolayer and bilayer modified complexions. Another form of bilayer complexion stabilized at stacking faults has also been identified. Numerous previous works suggested that dopants/impurities tended to segregate at the stacking faults or twinned boundaries. In contrast, our study revealed the previously-unrecognized possibility of incorporating dopants and impurities inside an otherwise perfect crystal without the association to any twin boundary or stacking fault. Moreover, we revealed the amount of barium dopants incorporated was non-equilibrium and far beyond the bulk solubility, which might lead to unique properties.

  20. Implantation damage and anomalous diffusion of implanted boron in silicon through SiO[sub 2] films

    Energy Technology Data Exchange (ETDEWEB)

    Kaabi, L. (Lab. de Physique de la Matiere, Inst. National des Sciences Appliquees de Lyon, 69 - Villeurbanne (France)); Gontrand, C. (Lab. de Physique de la Matiere, Inst. National des Sciences Appliquees de Lyon, 69 - Villeurbanne (France)); Lemiti, M. (Lab. de Physique de la Matiere, Inst. National des Sciences Appliquees de Lyon, 69 - Villeurbanne (France)); Balland, B. (Lab. de Physique de la Matiere, Inst. National des Sciences Appliquees de Lyon, 69 - Villeurbanne (France))

    1993-07-16

    Boron is implanted in crystalline silicon through oxide layers with different thicknesses. The implantation is carried out at various doses and energies of interest in ultra large scale integration (ULSI) application. Rapid thermal annealings (RTA) are used to obtain shallow junctions and electrical activation of the B atoms. However, transient enhanced diffusion induced by implantation damage can be observed. The boron concentration profiles before and after annealing are obtained with secondary ion mass spectrometry (SIMS). It is found that the diffusion transient in the tail region of the boron profile increases with decreasing oxide thickness. Even more, if the implantation damage concerns mostly the oxide, i.e. when the concentration peak is located in this oxide, the oxygen knocked into the silicon substrate could play this way an important role in restricting the boron diffusion, which is good to obtain very shallow junctions. On the other hand, for thinner oxide, boron enhanced diffusion is attributed to the implantation induced damage into silicon at high doses. The diffusion process of boron in oxide and moncrystalline silicon during rapid thermal annealing is investigated. The boron diffusion profiles obtained by computer simulation are compared with the measured results. It is shown by this comparison that the intrinsic coefficient cannot be considered as constant along all the silicon depth. (orig.)

  1. Liquid crystalline dihydroazulene photoswitches

    DEFF Research Database (Denmark)

    Petersen, Anne Ugleholdt; Jevric, Martyn; Mandle, Richard J.

    2015-01-01

    A large selection of photochromic dihydroazulene (DHA) molecules incorporating various substituents at position 2 of the DHA core was prepared and investigated for their ability to form liquid crystalline phases. Incorporation of an octyloxy-substituted biphenyl substituent resulted in nematic...

  2. Improved Josephson Qubits incorporating Crystalline Silicon Dielectrics

    Science.gov (United States)

    Gao, Yuanfeng; Maurer, Leon; Hover, David; Patel, Umeshkumar; McDermott, Robert

    2010-03-01

    Josephson junction phase quibts are a leading candidate for scalable quantum computing in the solid state. Their energy relaxation times are currently limited by microwave loss induced by a high density of two-level state (TLS) defects in the amorphous dielectric films of the circuit. It is expected that the integration of crystalline, defect-free dielectrics into the circuits will yield substantial improvements in qubit energy relaxation times. However, the epitaxial growth of a crystalline dielectric on a metal underlayer is a daunting challenge. Here we describe a novel approach in which the crystalline silicon nanomembrane of a Silicon-on-Insulator (SOI) wafer is used to form the junction shunt capacitor. The SOI wafer is thermocompression bonded to the device wafer. The handle and buried oxide layers of the SOI are then etched away, leaving the crystalline silicon layer for subsequent processing. We discuss device fabrication issues and present microwave transport data on lumped-element superconducting resonators incorporating the crystalline silicon.

  3. Nanoprocessing of layered crystalline materials by atomic force microscopy.

    Science.gov (United States)

    Miyake, Shojiro; Wang, Mei

    2015-01-01

    By taking advantage of the mechanical anisotropy of crystalline materials, processing at a single-layer level can be realized for layered crystalline materials with periodically weak bonds. Mica (muscovite), graphite, molybdenum disulfide (MoS2), and boron nitride have layered structures, and there is little interaction between the cleavage planes existing in the basal planes of these materials. Moreover, it is easy to image the atoms on the basal plane, where the processed shape can be observed on the atomic level. This study reviews research evaluating the nanometer-scale wear and friction as well as the nanometer-scale mechanical processing of muscovite using atomic force microscopy (AFM). It also summarizes recent AFM results obtained by our research group regarding the atomic-scale mechanical processing of layered materials including mica, graphite, MoS2, and highly oriented pyrolytic graphite.

  4. Boron Nitride Nanotubes for Spintronics

    Directory of Open Access Journals (Sweden)

    Kamal B. Dhungana

    2014-09-01

    Full Text Available With the end of Moore’s law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry. For example, the discovery of the giant magneto resistance (GMR effect, which provides the foundation behind modern high density data storage devices, is an important success story of spintronics; GMR-based sensors have wide applications, ranging from automotive industry to biology. In recent years, with the tremendous progress in nanotechnology, spintronics has crossed the boundary of conventional, all metallic, solid state multi-layered structures to reach a new frontier, where nanostructures provide a pathway for the spin-carriers. Different materials such as organic and inorganic nanostructures are explored for possible applications in spintronics. In this short review, we focus on the boron nitride nanotube (BNNT, which has recently been explored for possible applications in spintronics. Unlike many organic materials, BNNTs offer higher thermal stability and higher resistance to oxidation. It has been reported that the metal-free fluorinated BNNT exhibits long range ferromagnetic spin ordering, which is stable at a temperature much higher than room temperature. Due to their large band gap, BNNTs are also explored as a tunnel magneto resistance device. In addition, the F-BNNT has recently been predicted as an ideal spin-filter. The purpose of this review is to highlight these recent progresses so that a concerted effort by both experimentalists and theorists can be carried out in the future to realize the true potential of BNNT-based spintronics.

  5. Boron nitride nanotubes for spintronics.

    Science.gov (United States)

    Dhungana, Kamal B; Pati, Ranjit

    2014-09-22

    With the end of Moore's law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry. For example, the discovery of the giant magneto resistance (GMR) effect, which provides the foundation behind modern high density data storage devices, is an important success story of spintronics; GMR-based sensors have wide applications, ranging from automotive industry to biology. In recent years, with the tremendous progress in nanotechnology, spintronics has crossed the boundary of conventional, all metallic, solid state multi-layered structures to reach a new frontier, where nanostructures provide a pathway for the spin-carriers. Different materials such as organic and inorganic nanostructures are explored for possible applications in spintronics. In this short review, we focus on the boron nitride nanotube (BNNT), which has recently been explored for possible applications in spintronics. Unlike many organic materials, BNNTs offer higher thermal stability and higher resistance to oxidation. It has been reported that the metal-free fluorinated BNNT exhibits long range ferromagnetic spin ordering, which is stable at a temperature much higher than room temperature. Due to their large band gap, BNNTs are also explored as a tunnel magneto resistance device. In addition, the F-BNNT has recently been predicted as an ideal spin-filter. The purpose of this review is to highlight these recent progresses so that a concerted effort by both experimentalists and theorists can be carried out in the future to realize the true potential of BNNT-based spintronics.

  6. Preparation of High Purity Amorphous Boron Powder

    Directory of Open Access Journals (Sweden)

    K.V. Tilekar

    2005-10-01

    Full Text Available Amorphous boron powder of high purity (92-94 % with a particle size of l-2 mm is preferred as a fuel for fuel-rich propellants for integrated rocket ramjets and for igniter formulations. Thispaper describes the studies on process optimisation of two processes, ie, oxidative roasting of boron (roasting boron in air and roasting boron with zinc in an inert medium for preparing high purity boron. Experimental studies reveal that roasting boron with zinc at optimised process conditions yields boron of purity more than 93 per cent, whereas oxidative roasting method yields boron of purity - 92 per cent. Oxidative roasting has comparative edge over the other processes owing to its ease of scale-up and simplicity

  7. Forward current enhanced elimination of the radiation induced boron-oxygen complex in silicon n+-p diodes

    CERN Document Server

    Makarenko, L F; Yakushevich, H S; Moll, M; Pintilie, I

    2014-01-01

    Using forward current injection with densities in the range 15-30A/cm(2) we can effectively eliminate the radiation-induced boron-oxygen complex, which is the main compensating center in irradiated Si solar cells. It was found that for a given forward current density the elimination rate is decreasing with increasing irradiation dose. Additionally, some evidences have been obtained on the negative-U properties of the radiation-induced boron-oxygen complex.

  8. Preferential distribution and oxidation inhibiting/catalytic effects of boron in carbon fiber reinforced carbon (CFRC) composites

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.J.; Joo, H.J.; Radovic, L.R. [Penn State University, University Park, PA (United States). Dept. of Energy & Geoenvironmental Engineering, Fuel Science Program

    2003-07-01

    Two different batches of CFRC composites were prepared in the absence/presence of boron with the expectation of increasing oxidation stability and improving the processing compatibility of CFRC composites in commercial applications. The composites were examined to reveal the nature of substitutional B in oxidation, crystallinity and distribution preference in the composites. Substitutional B acts both a catalyst and an inhibitor in carbon oxidation, depending on the content and the extent of carbon burn-off reaction. Crystallinity increases with the incorporation of B. Boron prefers to be distributed in the less ordered structure; non-graphitizable PAN-based carbon fibers have higher B contents than graphitizable coal-tar pitch, but processing conditions can change this preference. The incorporation of B in CFRC composites seems to be beneficial for improving the potential ability of the composites in applications by increasing crystallinity and oxidation stability.

  9. Highly Fluorescent Non-Conventional Boron-Difluoride-Based π Organogel with Gelation-Assisted Piezochromism.

    Science.gov (United States)

    Wang, Sa; Lan, Haichuang; Xiao, Shuzhang; Tan, Ronghua; Lu, Yunxiang

    2017-01-17

    Triphenylamine-functionalized boron 2-(2'-pyridyl)imidazole complex bearing no alkyl chains or H-bond unit was found to be able to gelate a series of solvents, and the balanced intermolecular π-π interactions play an important role in its supramolecular self-assembly. The gelator molecule is piezochromic, and the dried gel responded to pressure more sensitively than regular crystalline powder.

  10. Catalyst-Free Bottom-Up Synthesis of Few-Layer Hexagonal Boron Nitride Nanosheets

    Directory of Open Access Journals (Sweden)

    Shena M. Stanley

    2015-01-01

    Full Text Available A novel catalyst-free methodology has been developed to prepare few-layer hexagonal boron nitride nanosheets using a bottom-up process. Scanning electron microscopy and transmission electron microscopy (both high and low resolution exhibit evidence of less than ten layers of nanosheets with uniform dimension. X-ray diffraction pattern and other additional characterization techniques prove crystallinity and purity of the product.

  11. Structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boron

    OpenAIRE

    He, Chaoyu; Zhong, Jianxin

    2013-01-01

    The structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boron have been studied by first-principles calculations. Both a-boron and a*-boron consist of equivalent icosahedra B12 clusters in different connecting configurations of "3S-6D-3S" and "2S-6D-4S", respectively. The total energy calculations show that a*-boron is less stable than a-boron but more favorable than beta-boron and Gamma-boron at zero pressure. Both a-boron and a*-boron are confirm...

  12. Crystalline systems. [Book chapter

    Energy Technology Data Exchange (ETDEWEB)

    Kispert, L.D.

    The use of two double resonance methods, electron-nuclear double resonance (ENDOR) and electron-electron double resonance (ELDOR) in the study of free radicals in solids is reviewed. Included are descriptions of how crystalline-phase ENDOR is used to determine small hyperfine splittings, quadrupoly couplings, and reaction mechanisms or radical formation and how crystalline phase ELDOR is used to determine large hyperfine splittings, to identify radicals with large quadrupole moments and to study spin exchange processes. The complementary role played by the ENDOR and ELDOR spectroscopy in the separation of overlapping EPR spectra, in the study of proton-deuterium exchange, in the study of methyl groups undergoing tunneling rotation, and in the determination of the rates of intermolecular motion are dealt with. 13 figures, 1 table. (DP)

  13. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2013-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

  14. Interaction of Boron Clusters with Oxygen: a DFT Study

    Science.gov (United States)

    Salavitabar, Kamron; Boggavarapu, Kiran; Kandalam, Anil

    A controlled combustion involving aluminum nanoparticles has often been the focus of studies in the field of solid fuel propellants. However very little focus has been given to the study of boron nanoparticles in controlled combustion. In contrast to aluminum nanoclusters, boron nanoclusters (Bn) are known to exhibit a planar geometries even at the size of n = 19 - 20, and thus offer a greater surface area for interaction with oxygen. Earlier experimental studies have shown that boron nanoclusters exhibit different reactivity with oxygen depending on their size and charge. In this poster, we present our recent density functional theory based results, focusing on the reactivity patterns of neutral and negatively charged B5 cluster with On, where n = 1 - 5; and B6 cluster with On (n = 1 - 2). The effect of charge on the reactivity of boron cluster, variation in the stability of product clusters, i e., neutral and negatively charged B5On (n = 1 - 5) and B6On (n = 1 - 2) are also examined. Financial Support from West Chester University Foundation under FaStR grant is acknowledged.

  15. Mechanism of boron uptake by hydrocalumite calcined at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Xinhong, E-mail: qxinhong@gmail.com [Department of Earth Resources Engineering, Kyushu University,Fukuoka 819-0395 (Japan); Sasaki, Keiko; Takaki, Yu; Hirajima, Tsuyoshi [Department of Earth Resources Engineering, Kyushu University,Fukuoka 819-0395 (Japan); Ideta, Keiko; Miyawaki, Jin [Institute for Materials Chemistry and Engineering, Kyushu University, Kasuga 816-8180 (Japan)

    2015-04-28

    Highlights: • Higher sorption density of borate was observed at higher calcination temperature. • Sorption of borate by Ca-Al-LDH was mainly through DR mechanism. • Removal of borate by Ca-LDH-300 and Ca-LDH-500 were through forming of ettringite. • Boron was mainly adsorbed and intercalated into hydration of Ca-Al-LDH-900. - Abstract: Hydrocalumite (Ca-Al-layered double hydroxide (LDH)) was prepared and applied for the removal of borate. The properties of Ca-Al-LDH calcined at different temperatures were diverse, which affected the sorption density and mechanism of boron species. The sorption density increased with increase in calcined temperature and the sample calcined at 900 °C (Ca-Al-LDH-900) showed the maximum sorption density in this work. The solid residues after sorption were characterized by {sup 11}B NMR, {sup 27}Al NMR, SEM, and XRD to investigate the sorption mechanism. Dissolution–reprecipitation was the main mechanism for sorption of borate in Ca-Al-LDH. For Ca-Al-LDH calcined at 300 and 500 °C, regeneration occurred in a short time and the newly forming LDHs were decomposed to release Ca{sup 2+} ions and formed ettringite with borate. Two stages occurred in the sorption of boron by Ca-Al-LDH calcined at 900 °C. In the first stage, boron species adsorbed on the alumina gel resulting from the hydration of calcined products. In this stage, borate was included as an interlayer anion into the newly forming LDHs in the following stage, and then immobilized as HBO{sub 3}{sup 2−} into the interlayer, most the LDHs.

  16. Phonon spectrum of single-walled boron nitride nanotubes

    Institute of Scientific and Technical Information of China (English)

    Xiao Yang; Yan Xiao-Hong; Cao Jue-Xian; Mao Yu-Liang; Xiang Jun

    2004-01-01

    Based on a force constant model, we investigated the phonon spectrum and then specific heat of single-walled boron nitride nanotubes. The results show that the frequencies of Raman and infrared active modes decrease with increasing diameter in the low frequency, which is consistent with the results calculated by density functional theory.The fitting formulae for diameter and chirality dependence of specific heat at 300K are given.

  17. Concentration Transitions on the Crystalline Lattices

    Directory of Open Access Journals (Sweden)

    N.A. Gorenko

    2014-07-01

    Full Text Available Results of numerical modeling of dilute 2D and 3D crystalline lattices are presented. The percolation thresholds for face-centered cubic (fcc, body-centered cubic (bcc and the simple cubic (sc lattices for the first, second and third coordination spheres are obtained by means of Monte Carlo (MC method. It is shown, that the mean value of the percolation cluster density has a minimum value at the percolation threshold.

  18. Magnetic properties of crystalline and amorphous Fe-B alloys prepared by electroless plating

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Bangwei (CCAST (World Lab.), Beijing (China) Dept. of Physics, Hunan Univ., Changsha (China)); Hu Wangyu; Zhu Deqi (Dept. of Physics, Hunan Univ., Changsha (China))

    1993-01-01

    Amorphous samples of Fe[sub 100-x]B[sub x] (x=18, 24, 27.4) and crystalline samples of Fe[sub 100-x]B[sub x] (x=2.2, 10.6) have been prepared by electroless plating. Their magnetic properties have been studied. The Curie temperature Tc increases upon increasing the boron concentration for the amorphous alloys from 613 K (x=18) to 776 K (x=27.4). However, the saturation magnetization and magnetic moment decrease with increasing boron concentration for both the crystalline and amorphous alloys. The data have been analyzed and discussed using the molecular-field theory and the rigid-band theory and the charge transfer of sp electrons from the metalloids to the d-band of the transition metals. The dependence of the magnetic properties of the amorphous alloys on heat treatment has also been studied. (orig.).

  19. Boron doping a semiconductor particle

    Science.gov (United States)

    Stevens, Gary Don; Reynolds, Jeffrey Scott; Brown, Louanne Kay

    1998-06-09

    A method (10,30) of boron doping a semiconductor particle using boric acid to obtain a p-type doped particle. Either silicon spheres or silicon powder is mixed with a diluted solution of boric acid having a predetermined concentration. The spheres are dried (16), with the boron film then being driven (18) into the sphere. A melt procedure mixes the driven boron uniformly throughout the sphere. In the case of silicon powder, the powder is metered out (38) into piles and melted/fused (40) with an optical furnace. Both processes obtain a p-type doped silicon sphere with desired resistivity. Boric acid is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirements.

  20. Boron-Based Layered Structures for Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Y.; Wei, S. H.

    2012-01-01

    Based on Density Functional Theory simulations, we have studied the boron-based graphite-like materials, i.e., LiBC and MgB2 for energy storage. First, when half of the Li-ions in the LiBC are removed, the BC layered structure is still preserved. The Li intercalation potential (equilibrium lithium-insertion voltage of 2.3-2.4 V relative to lithium metal) is significantly higher than that in graphite, allowing Li0.5BC to function as a cathode material. The reversible electrochemical reaction, LiBC = Li0.5BC + 0.5Li, enables a specific energy density of 1088 Wh/kg and a volumetric energy density of 2463 Wh/L. Second, 75% of the Mg ions in MgB2 can be removed and reversibly inserted with the layered boron structures being preserved through an in-plane topological transformation between the hexagonal lattice domains and triangular domains. The mechanism of such a charge-driven transformation originates from the versatile valence state of boron in its planar form.

  1. Mechanism of boron uptake by hydrocalumite calcined at different temperatures.

    Science.gov (United States)

    Qiu, Xinhong; Sasaki, Keiko; Takaki, Yu; Hirajima, Tsuyoshi; Ideta, Keiko; Miyawaki, Jin

    2015-04-28

    Hydrocalumite (Ca-Al-layered double hydroxide (LDH)) was prepared and applied for the removal of borate. The properties of Ca-Al-LDH calcined at different temperatures were diverse, which affected the sorption density and mechanism of boron species. The sorption density increased with increase in calcined temperature and the sample calcined at 900°C (Ca-Al-LDH-900) showed the maximum sorption density in this work. The solid residues after sorption were characterized by (11)B NMR, (27)Al NMR, SEM, and XRD to investigate the sorption mechanism. Dissolution-reprecipitation was the main mechanism for sorption of borate in Ca-Al-LDH. For Ca-Al-LDH calcined at 300 and 500°C, regeneration occurred in a short time and the newly forming LDHs were decomposed to release Ca(2+) ions and formed ettringite with borate. Two stages occurred in the sorption of boron by Ca-Al-LDH calcined at 900°C. In the first stage, boron species adsorbed on the alumina gel resulting from the hydration of calcined products. In this stage, borate was included as an interlayer anion into the newly forming LDHs in the following stage, and then immobilized as HBO3(2-) into the interlayer, most the LDHs. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Method to reduce dislocation density in silicon using stress

    Science.gov (United States)

    Buonassisi, Anthony; Bertoni, Mariana; Argon, Ali; Castellanos, Sergio; Fecych, Alexandria; Powell, Douglas; Vogl, Michelle

    2013-03-05

    A crystalline material structure with reduced dislocation density and method of producing same is provided. The crystalline material structure is annealed at temperatures above the brittle-to-ductile transition temperature of the crystalline material structure. One or more stress elements are formed on the crystalline material structure so as to annihilate dislocations or to move them into less harmful locations.

  3. Challenges of Engineering Grain Boundaries in Boron-Based Armor Ceramics

    Science.gov (United States)

    Coleman, Shawn P.; Hernandez-Rivera, Efrain; Behler, Kristopher D.; Synowczynski-Dunn, Jennifer; Tschopp, Mark A.

    2016-06-01

    Boron-based ceramics are appealing for lightweight applications in both vehicle and personnel protection, stemming from their combination of high hardness, high elastic modulus, and low density as compared to other ceramics and metal alloys. However, the performance of these ceramics and ceramic composites is lacking because of their inherent low fracture toughness and reduced strength under high-velocity threats. The objective of the present article is to briefly discuss both the challenges and the state of the art in experimental and computational approaches for engineering grain boundaries in boron-based armor ceramics, focusing mainly on boron carbide (B4C) and boron suboxide (B6O). The experimental challenges involve processing these ceramics at full density while trying to promote microstructure features such as intergranular films to improve toughness during shock. Many of the computational challenges for boron-based ceramics stem from their complex crystal structure which has hitherto complicated the exploration of grain boundaries and interfaces. However, bridging the gaps between experimental and computational studies at multiple scales to engineer grain boundaries in these boron-based ceramics may hold the key to maturing these material systems for lightweight defense applications.

  4. The effects of stoichiometry on the mechanical properties of icosahedral boron carbide under loading.

    Science.gov (United States)

    Taylor, DeCarlos E; McCauley, James W; Wright, T W

    2012-12-19

    The effects of stoichiometry on the atomic structure and the related mechanical properties of boron carbide (B(4)C) have been studied using density functional theory and quantum molecular dynamics simulations. Computational cells of boron carbide containing up to 960 atoms and spanning compositions ranging from 6.7% to 26.7% carbon were used to determine the effects of stoichiometry on the atomic structure, elastic properties, and stress-strain response as a function of hydrostatic, uniaxial, and shear loading paths. It was found that different stoichiometries, as well as variable atomic arrangements within a fixed stoichiometry, can have a significant impact on the yield stress of boron carbide when compressed uniaxially (by as much as 70% in some cases); the significantly reduced strength of boron carbide under shear loading is also demonstrated.

  5. Two-dimensional boron: Lightest catalyst for hydrogen and oxygen evolution reaction

    Science.gov (United States)

    Mir, Showkat H.; Chakraborty, Sudip; Jha, Prakash C.; Wärnâ, John; Soni, Himadri; Jha, Prafulla K.; Ahuja, Rajeev

    2016-08-01

    The hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) have been envisaged on a two-dimensional (2D) boron sheet through electronic structure calculations based on a density functional theory framework. To date, boron sheets are the lightest 2D material and, therefore, exploring the catalytic activity of such a monolayer system would be quite intuitive both from fundamental and application perspectives. We have functionalized the boron sheet (BS) with different elemental dopants like carbon, nitrogen, phosphorous, sulphur, and lithium and determined the adsorption energy for each case while hydrogen and oxygen are on top of the doping site of the boron sheet. The free energy calculated from the individual adsorption energy for each functionalized BS subsequently guides us to predict which case of functionalization serves better for the HER or the OER.

  6. The preparation and composition design of boron-rich lanthanum hexaboride target for sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Defang; Min, Guanghui; Wu, Yan; Yu, Huashun; Zhang, Lin, E-mail: zhanglin2007@sdu.edu.cn

    2015-07-25

    Highlights: • High-purity LaB{sub 6} powder was prepared due to significant reduction of residual B{sub 4}C and effective purification process. • The effects of raw materials ratio on the size, morphology, phase structure and crystalline size of LaB{sub 6} were studied. • The correlation of component between LaB{sub 6} films and boron-rich targets was established. • The variation of densities of LaB{sub 6} targets with sintering time and sintering temperature was investigated. - Abstract: Lanthanum Hexaboride (LaB{sub 6}) nano-film has been proved to be promising transparent thermal insulation material, while its properties are limited on purity and composition. High-purity LaB{sub 6} polycrystalline powder was prepared through boron carbide reduction method in this work. A series of techniques such as scanning electron microscopy, X-ray diffraction, laser particle analyzer and inductively coupled plasma emission spectrometer were employed to characterize LaB{sub 6} powder. As raising the content of La{sub 2}O{sub 3} in reactants, more uniform, finer (2.686 μm) and purer (99.5139 wt%) LaB{sub 6} powder is prepared, with only 0.4434 wt% residual B{sub 4}C. The density of targets increases with the rise of sintering temperature and the extension of sintering time, while crystallite size increases simultaneously with the extension of sintering time. The introduction of B powder in target is conductive to sintering process, increasing hardness and flexural strength of targets. X-ray photoelectron spectrometer was used to characterize the composition and microstructure of LaB{sub 6} nano-film which is tentatively considered to be composed of LaB{sub 6} nanocrystalline and amorphous microstructure of La and B atoms. The film LaB{sub 6.0627±0.02} was obtained when the ratio of B and La of sputtering target reached 12.5. The thickness and deposition rate decrease with the increase of B content in targets.

  7. The effect of C atom concentration on the electronic properties of boron carbonitride alloy nanotube in zig-zag form

    Indian Academy of Sciences (India)

    H Milani Moghaddam

    2011-06-01

    Electronic properties of single-walled boron nitride nanotube in zig-zag form are numerically investigated by replacing B atoms with C atoms. Using a tight-binding Hamiltonian, the methods based on Green’s function theory, Landauer formalism and Dyson equation, the electronic density of states and electronic conductance in boron nitride nanotube and boron carbonitride nanotube are calculated. Our calculations indicate that in a boron nitride nanotube, the localized states associated with C impurities appear as the concentration of C atoms increases. The boron carbonitride nanotube thus behaves like a semiconductor. Also, by increasing the C atom concentration, the voltage in the first step on the – characteristics decreases, whereas the corresponding current increases.

  8. Quantum emission from hexagonal boron nitride monolayers

    Science.gov (United States)

    Tran, Toan Trong; Bray, Kerem; Ford, Michael J.; Toth, Milos; Aharonovich, Igor

    2016-01-01

    Artificial atomic systems in solids are widely considered the leading physical system for a variety of quantum technologies, including quantum communications, computing and metrology. To date, however, room-temperature quantum emitters have only been observed in wide-bandgap semiconductors such as diamond and silicon carbide, nanocrystal quantum dots, and most recently in carbon nanotubes. Single-photon emission from two-dimensional materials has been reported, but only at cryogenic temperatures. Here, we demonstrate room-temperature, polarized and ultrabright single-photon emission from a colour centre in two-dimensional hexagonal boron nitride. Density functional theory calculations indicate that vacancy-related defects are a probable source of the emission. Our results demonstrate the unprecedented potential of van der Waals crystals for large-scale nanophotonics and quantum information processing.

  9. Boron Nitride Nanoribbons from Exfoliation of Boron Nitride Nanotubes

    Science.gov (United States)

    Hung, Ching-Cheh; Hurst, Janet; Santiago, Diana

    2017-01-01

    Two types of boron nitride nanotubes (BNNTs) were exfoliated into boron nitride nanoribbons (BNNR), which were identified using transmission electron microscopy: (1) commercial BNNTs with thin tube walls and small diameters. Tube unzipping was indicated by a large decrease of the sample's surface area and volume for pores less than 2 nm in diameter. (2) BNNTs with large diameters and thick walls synthesized at NASA Glenn Research Center. Here, tube unraveling was indicated by a large increase in external surface area and pore volume. For both, the exfoliation process was similar to the previous reported method to exfoliate commercial hexagonal boron nitride (hBN): Mixtures of BNNT, FeCl3, and NaF (or KF) were sequentially treated in 250 to 350 C nitrogen for intercalation, 500 to 750 C air for exfoliation, and finally HCl for purification. Property changes of the nanosized boron nitride throughout this process were also similar to the previously observed changes of commercial hBN during the exfoliation process: Both crystal structure (x-ray diffraction data) and chemical properties (Fourier-transform infrared spectroscopy data) of the original reactant changed after intercalation and exfoliation, but most (not all) of these changes revert back to those of the reactant once the final, purified products are obtained.

  10. Computational Studies of Nanostructures of Boron

    Science.gov (United States)

    Tandy, P.; Yu, M.; Leahy, C.; Tian, W. Q.; Wu, S. Y.; Jayanthi, C. S.

    2009-03-01

    The goal of this work is to develop a reliable semi-empirical Hamiltonian for boron that may be used to predict nanostructures of boron. It is well known that bonding in boron is complicated as it may form three-center, two-electron bonds. The semi-empirical Hamiltonian used here was recently developed by Leahy et al. in the framework of linear combination of atomic orbitals[1]. The salient feature of this Hamiltonian is that it treats environment dependency and charge redistributions on equal footing. It will be shown that such a parameterized Hamiltonian can predict the B80 cage structure with C1 symmetry as found in a recent first-principles study [2]. Having validated our semi-empirical Hamiltonian for boron with small boron clusters and the B80 cage, we have performed a systematic study of other boron nanostructures: (i) larger cage structures (e.g., B215), (ii) boron clusters cut from the bulk alpha boron, and (iii) boron sheets (triangular sheets with and without holes). We will discuss the ground state structures of these boron nanostructures as well as the energetics and HOMO-LUMO gaps of different families of boron clusters as a function their diameters. 1. C. Leahy et al. Phys. Rev. B74, 155408 (2006). 2. N. G. Szwacki et al. PRL 100, 159901 (2008).

  11. Topological crystalline insulator SnTe nanoribbons

    Science.gov (United States)

    Dahal, Bishnu R.; Dulal, Rajendra P.; Pegg, Ian L.; Philip, John

    2017-03-01

    Topological crystalline insulators are systems in which a band inversion that is protected by crystalline mirror symmetry gives rise to nontrivial topological surface states. SnTe is a topological crystalline insulator. It exhibits p-type conductivity due to Sn vacancies and Te antisites, which leads to high carrier density in the bulk. Thus growth of high quality SnTe is a prerequisite for understanding the topological crystalline insulating behavior. We have grown SnTe nanoribbons using a solution method. The width of the SnTe ribbons varies from 500 nm to 2 μm. They exhibit rock salt crystal structure with a lattice parameter of 6.32 Å. The solution method that we have adapted uses low temperature, so the Sn vacancies can be controlled. The solution grown SnTe nanoribbons exhibit strong semiconducting behavior with an activation energy of 240 meV. This activation energy matches with the calculated band gap for SnTe with a lattice parameter of 6.32 Å, which is higher than that reported for bulk SnTe. The higher activation energy makes the thermal excitation of bulk charges very difficult on the surface. As a result, the topological surfaces will be free from the disturbance caused by the thermal excitations

  12. Very long single- and few-walled boron nitride nanotubes via the pressurized vapor/condenser method

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Michael W. [NASA Langley Research Center, Hampton, VA (United States); Jordan, Kevin C. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Park, Cheol [NASA Langley Research Center, Hampton, VA (United States); Kim, Jae-Woo [NASA Langley Research Center, Hampton, VA (United States); Lillehei, Peter T. [NASA Langley Research Center, Hampton, VA (United States); Crooks, Roy [NASA Langley Research Center, Hampton, VA (United States); Harrison, Joycelyn S. [NASA Langley Research Center, Hampton, VA (United States)

    2009-11-01

    Boron nitride nanotubes (BNNTs) are desired for their exceptional mechanical, electronic, thermal, structural, textural, optical, and quantum properties. A new method for producing long, small-diameter, single- and few-walled, boron nitride nanotubes (BNNTs) in macroscopic quantities is reported. The pressurized vapor/condenser (PVC) method produces, without catalysts, highly crystalline, very long, small-diameter, BNNTs. Palm-sized, cotton-like masses of BNNT raw material were grown by this technique and spun directly into centimeters-long yarn. Nanotube lengths were observed to be 100 times that of those grown by the most closely related method. Self-assembly and growth models for these long BNNTs are discussed.

  13. Crystalline mesoporous metal oxide

    Institute of Scientific and Technical Information of China (English)

    Wenbo Yue; Wuzong Zhou

    2008-01-01

    Since the discovery of many types of mesoporous silicas, such as SBA-15, KIT-6, FDU-12 and SBA-16, porous crystalline transition metal oxides, such as Cr2O3, Co3O4, In2O3, NiO, CeO2, WO3, Fe2O3 and MnO2, have been synthesized using the mesoporous silicas as hard templates. Several synthetic methods have been developed. These new porous materials have high potential applications in catalysis, Li-ion rechargeable batteries and gas sensors. This article gives a brief review of the research of porous crystals of metal oxides in the last four years.

  14. Microstructural Characterization and Wear Properties of Fe-Based Amorphous-Crystalline Coating Deposited by Twin Wire Arc Spraying

    Directory of Open Access Journals (Sweden)

    Ana Arizmendi-Morquecho

    2014-01-01

    Full Text Available Twin wire arc spraying (TWAS was used to produce an amorphous crystalline Fe-based coating on AISI 1018 steel substrate using a commercial powder (140MXC in order to improve microhardness and wear properties. The microstructures of coating were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, and transmission electron microscopy (TEM as well as the powder precursor. Analysis in the coating showed the formation of an amorphous matrix with boron and tungsten carbides randomly dispersed. At high amplifications were identified boron carbides at interface boron carbide/amorphous matrix by TEM. This kind of carbides growth can be attributed to partial crystallization by heterogeneous nucleation. These interfaces have not been reported in the literature by thermal spraying process. The measurements of average microhardness on amorphous matrix and boron carbides were 9.1 and 23.85 GPa, respectively. By contrast, the microhardness values of unmelted boron carbide in the amorphous phase were higher than in the substrate, approaching 2.14 GPa. The relative wear resistance of coating was 5.6 times that of substrate. These results indicate that the twin wire arc spraying is a promising technique to prepare amorphous crystalline coatings.

  15. NMR studies of electronic structure in crystalline and amorphous Zr2PdH/x/

    Science.gov (United States)

    Bowman, R. C., Jr.; Johnson, W. L.; Maeland, A. J.; Rhim, W.-K.

    1983-01-01

    The proton Knight shifts and spin-lattice relaxation times have been measured in crystalline and amorphous Ze2PdH(x). Core polarization from the Zr d-band dominates the proton hyperfine interactions. The density of Fermi level d-electron states is reduced in the amorphous phase relative to the electron density in crystalline Zr2PdH(x).

  16. Advanced microstructure of boron carbide.

    Science.gov (United States)

    Werheit, Helmut; Shalamberidze, Sulkhan

    2012-09-26

    The rhombohedral elementary cell of the complex boron carbide structure is composed of B(12) or B(11)C icosahedra and CBC, CBB or B□B (□, vacancy) linear arrangements, whose shares vary depending on the actual chemical compound. The evaluation of the IR phonon spectra of isotopically pure boron carbide yields the quantitative concentrations of these components within the homogeneity range. The structure formula of B(4.3)C at the carbon-rich limit of the homogeneity range is (B(11)C) (CBC)(0.91) (B□B)(0.09) (□, vacancy); and the actual structure formula of B(13)C(2) is (B(12))(0.5)(B(11)C)(0.5)(CBC)(0.65)(CBB)(0.16) (B□B)(0.19), and deviates fundamentally from (B(12))CBC, predicted by theory to be the energetically most favourable structure of boron carbide. In reality, it is the most distorted structure in the homogeneity range. The spectra of (nat)B(x)C make it evident that boron isotopes are not randomly distributed in the structure. However, doping with 2% silicon brings about a random distribution.

  17. Comparison of the incremental and hierarchical methods for crystalline neon.

    Science.gov (United States)

    Nolan, S J; Bygrave, P J; Allan, N L; Manby, F R

    2010-02-24

    We present a critical comparison of the incremental and hierarchical methods for the evaluation of the static cohesive energy of crystalline neon. Both of these schemes make it possible to apply the methods of molecular electronic structure theory to crystalline solids, offering a systematically improvable alternative to density functional theory. Results from both methods are compared with previous theoretical and experimental studies of solid neon and potential sources of error are discussed. We explore the similarities of the two methods and demonstrate how they may be used in tandem to study crystalline solids.

  18. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John

    2016-09-22

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ³11 wt% and ³80 g/L that can deliver hydrogen and be recharged at moderate temperatures (£100 °C) and pressures (£100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement. For the first approach, possible pairs of ternary borides and mixed-metal borohydrides based on Mg with various first row transition metals were investigated both experimentally and theoretically. In particular, the Mg/Mn ternary boride and mixed-metal borohydride were found to be a suitable pair and

  19. An Exploration of Neutron Detection in Semiconducting Boron Carbide

    Science.gov (United States)

    Hong, Nina

    The 3He supply problem in the U.S. has necessitated the search for alternatives for neutron detection. The neutron detection efficiency is a function of density, atomic composition, neutron absorption cross section, and thickness of the neutron capture material. The isotope 10B is one of only a handful of isotopes with a high neutron absorption cross section---3840 barns for thermal neutrons. So a boron carbide semiconductor represents a viable alternative to 3He. This dissertation provides an evaluation of the performance of semiconducting boron carbide neutron detectors grown by plasma enhance chemical vapor deposition (PECVD) in order to determine the advantages and drawbacks of these devices for neutron detection. Improved handling of the PECVD system has resulted in an extremely stable plasma, enabling deposition of thick films of semiconducting boron carbide. A variety of material and semiconducting characterization tools have been used to investigate the structure and electronic properties of boron carbide thin films, including X-ray diffraction, X-ray photoelectron spectroscopy, atomic force microscopy, infrared/Raman spectroscopy, current-voltage measurements and capacitance-voltage measurements. Elemental concentrations in the boron carbide films have been obtained from Rutherford backscattering and elastic recoil detection analysis. Solid state neutron detection devices have been fabricated in the form of heterostructured p-n diodes, p-type boron carbide/n-type Si. Operating conditions, including applied bias voltage, and time constants, have been optimized for maximum detection efficiency and correlated to the semiconducting properties investigated in separate electronic measurements. Accurate measurements of the neutron detection efficiency and the response of the detector to a wide range of neutron wavelengths have been performed at a well calibrated, tightly collimated, "white" cold neutron beam source using time-of-flight neutron detection technique

  20. Characterization and photocatalytic activity of boron-doped TiO2 thin films prepared by liquid phase deposition technique

    Indian Academy of Sciences (India)

    Noor Shahina Begum; H M Farveez Ahmed; O M Hussain

    2008-10-01

    Boron doped TiO2 thin films have been successfully deposited on glass substrate and silicon wafer at 30°C from an aqueous solution of ammonium hexa-fluoro titanate and boron trifluoride by liquid phase deposition technique. The boric acid was used as an – scavenger. The resultant films were characterized by XRD, EDAX, UV and microstructures by SEM. The result shows the deposited film to be amorphous which becomes crystalline between 400 and 500°C. The EDAX and XRD data confirm the existence of boron atom in TiO2 matrix and a small peak corresponding to rutile phase was also found. Boron doped TiO2 thin films can be used as photocatalyst for the photodegradation of chlorobenzene which is a great environmental hazard. It was found that chlorobenzene undergoes degradation efficiently in presence of boron doped TiO2 thin films by exposing its aqueous solution to visible light. The photocatalytic activity increases with increase in the concentration of boron.

  1. Study of Magnesium Diboride Clusters Using Hybrid Density Functional Theory

    Directory of Open Access Journals (Sweden)

    D. Rodríguez

    2007-12-01

    Full Text Available Using hybrid density functional theory and a relatively large basis set, the lowest energy equilibrium structure, vibrational spectrum, and natural orbital analysis were obtained for magnesium diboride clusters [(MgB2x for x=1,2, and 3]. For comparison, boron clusters [Bx for x=2,4, and 6] were also considered. The MgB2 and (MgB22 showed equilibrium structures with the boron atoms in arrangements similar to what was obtained for pure boron atoms, whereas, for (MgB23 a different arrangement of boron was obtained. From the population analysis, large electron density in the boron atoms forming the clusters was observed.

  2. Friction anisotropy in boronated graphite

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, N., E-mail: niranjan@igcar.gov.in [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Radhika, R. [Crystal Growth Centre, Anna University, Chennai (India); Kozakov, A.T. [Research Institute of Physics, Southern Federal University, Rostov-on-Don (Russian Federation); Pandian, R. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Chakravarty, S. [UGC-DAE CSR, Kalpakkam (India); Ravindran, T.R.; Dash, S.; Tyagi, A.K. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)

    2015-01-01

    Graphical abstract: - Highlights: • Friction anisotropy in boronated graphite is observed in macroscopic sliding condition. • Low friction coefficient is observed in basal plane and becomes high in prismatic direction. • 3D phase of boronated graphite transformed into 2D structure after friction test. • Chemical activity is high in prismatic plane forming strong bonds between the sliding interfaces. - Abstract: Anisotropic friction behavior in macroscopic scale was observed in boronated graphite. Depending upon sliding speed and normal loads, this value was found to be in the range 0.1–0.35 in the direction of basal plane and becomes high 0.2–0.8 in prismatic face. Grazing-incidence X-ray diffraction analysis shows prominent reflection of (0 0 2) plane at basal and prismatic directions of boronated graphite. However, in both the wear tracks (1 1 0) plane become prominent and this transformation is induced by frictional energy. The structural transformation in wear tracks is supported by micro-Raman analysis which revealed that 3D phase of boronated graphite converted into a disordered 2D lattice structure. Thus, the structural aspect of disorder is similar in both the wear tracks and graphite transfer layers. Therefore, the crystallographic aspect is not adequate to explain anisotropic friction behavior. Results of X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy shows weak signature of oxygen complexes and functional groups in wear track of basal plane while these species dominate in prismatic direction. Abundance of these functional groups in prismatic plane indicates availability of chemically active sites tends to forming strong bonds between the sliding interfaces which eventually increases friction coefficient.

  3. International Workshop on: Hydrogen Migration and the Stability of Hydrogen Related Complexes in Crystalline Semiconductors Held in Federal Republic of Germany on 3-6 November 1991

    Science.gov (United States)

    1991-11-06

    atomic hydrogen in doped crystalline silicon 53 A. Amore Bonapasta Modeling of hydrogen diffusion in semiconductors 54 D. Mathiot Diffusion and...DEPTH ( pm) Figure 1: Evolution of thc active boron concentration profile as a function of the re- verso -bias annealing time (VfR...the Materials Research Society, Boston, MA, 2-6 December 1991. - 53 - Multitrapping of atomic Hydrogen in doped crystalline silicon. A. Amore

  4. Processing and Properties of Distaloy Sa Sintered Alloys with Boron and Carbon

    Directory of Open Access Journals (Sweden)

    Karwan-Baczewska J.

    2015-04-01

    Full Text Available Prealloyed iron-based powders, manufactured in Höganäs Company, are used in the automotive parts industry. The properties and life time of such sintered parts depend, first of all, on their chemical composition, the production method of the prealloyed powder as well as on the technology of their consolidation and sintering. One of simpler and conventional methods aimed at increasing the density in sintered products is the process of activated sintering, performed, for example, by adding boron as elementary boron powder. Under this research project obtained were novel sintered materials, based on prealloyed and diffusion bonded powder, type: Distaloy SA, with the following chemical composition: Fe-1.75% Ni-1.5%Cu- 0.5%Mo with carbon (0.55%; 0.75% and boron (0.2%, 0.4% and 0.6%. Distaloy SA samples alloyed with carbon and boron were manufactured by mixing powders in a Turbula mixer, then compressed using a hydraulic press under a pressure of 600 MPa and sintered in a tube furnace at 1473 K, for a 60 minute time, in the hydrogen atmosphere. After the sintering process, there were performed density and porosity measurements as well as hardness tests and mechanical properties were carried out, too. Eventually, analyzed was the effect of boron upon density, hardness and mechanical properties of novel sintered construction parts made from Distaloy SA powder.

  5. Comparative study on the spectral properties of boron clusters Bn0/-1(n = 38-40)

    Science.gov (United States)

    Li, Shixiong; Zhang, Zhengping; Long, Zhengwen; Sun, Guangyu; Qin, Shuijie

    2016-04-01

    The all-boron fullerenes B40-1 and B39-1 discovered in recent experiments are characterized and revealed using photoelectron spectroscopy. Except for the photoelectron spectroscopy, one may identify such boron clusters with other spectroscopic techniques, such as infrared spectra and Raman spectra. Insight into the spectral properties of boron clusters is important to understand the boron clusters and find their potential applications. In this work, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to comparatively study the vibrational frequencies, infrared spectra, Raman spectra and electronic absorption spectra of boron clusters Bn0/-1(n = 38-40). The numerical simulations show that such boron clusters have different and meaningful spectral features. These spectral features are readily compared with future spectroscopy measurements and can be used as fingerprints to distinguish the boron clusters Bn0/-1 with different structures (cage structure or quasi-planar structure) and with different sizes (n = 38-40).

  6. Structural phase transitions in boron carbide under stress

    Science.gov (United States)

    Korotaev, P.; Pokatashkin, P.; Yanilkin, A.

    2016-01-01

    Structural transitions in boron carbide B4C under stress were studied by means of first-principles molecular dynamics in the framework of density functional theory. The behavior depends strongly on degree of non-hydrostatic stress. Under hydrostatic stress continuous bending of the three-atom C-B-C chain was observed up to 70 GPa. The presence of non-hydrostatic stress activates abrupt reversible chain bending, which is displacement of the central boron atom in the chain with the formation of weak bonds between this atom and atoms in the nearby icosahedra. Such structural change can describe a possible reversible phase transition in dynamical loading experiments. High non-hydrostatic stress achieved in uniaxial loading leads to disordering of the initial structure. The formation of carbon chains is observed as one possible transition route.

  7. Computational prediction of the diversity of monolayer boron phosphide allotropes

    Science.gov (United States)

    Zhu, Zhili; Cai, Xiaolin; Niu, Chunyao; Wang, Chongze; Jia, Yu

    2016-10-01

    We propose previously unrecognized allotropes of monolayer boron phosphorus (BP) based on ab initio density functional calculations. In addition to the hexagonal structure of h-BP, four types of boron phosphide compounds were predicted to be stable as monolayers. They can form sp2 hybridized planar structures composed of 6-membered rings, and buckled geometries including 4-8 or 3-9 membered rings with sp3 like bonding for P atoms. The calculated Bader charges illustrate their ionic characters with the charge transfers from B to P atoms. The competing between the electrostatic energy and the bonding energy of sp2 and sp3 hybridizations reflected in P atoms results in multiple structures of BP. These 2D BP structures can be semiconducting or metallic depending on their geometric structures. Our findings significantly broaden the diversity of monolayer BP allotropes and provide valuable guidance to other 2D group-III-V allotropes.

  8. Superhard Semiconducting Optically Transparent High Pressure Phase of Boron

    Energy Technology Data Exchange (ETDEWEB)

    Zarechnaya, E.Yu.; Dubrovinsky, L.; Dubrovinskaia, N.; Filinchuk, Y.; Chernyshov, D.; Dmitriev, V.; Miyajima, N.; Goresy, A. El; Braun, H.F.; Van Smaalen, S.; Kantor, I.; Kantor, A.; Prakapenka, V.; Hanfland, M.; Mikhaylushkin, A.S.; Abrikosov, I.A.; Simak, S.I.; (Link); (Heidelberg); (Bayreuth); (ESRF); (UC)

    2009-05-21

    An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. The structure, determined by single-crystal x-ray diffraction, consists of B{sub 12} icosahedra and B{sub 2} dumbbells. The charge density distribution obtained from experimental data and ab initio calculations suggests covalent chemical bonding in this phase. Strong covalent interatomic interactions explain the low compressibility value (bulk modulus is K{sub 300} = 227 GPa) and high hardness of high-pressure boron (Vickers hardness H{sub v} = 58 GPa), after diamond the second hardest elemental material.

  9. Liquid crystalline order in polymers

    CERN Document Server

    Blumstein, Alexandre

    1978-01-01

    Liquid Crystalline Order in Polymers examines the topic of liquid crystalline order in systems containing rigid synthetic macromolecular chains. Each chapter of the book provides a review of one important area of the field. Chapter 1 discusses scattering in polymer systems with liquid crystalline order. It also introduces the field of liquid crystals. Chapter 2 treats the origin of liquid crystalline order in macromolecules by describing the in-depth study of conformation of such macromolecules in their unassociated state. The chapters that follow describe successively the liquid crystalli

  10. Synthesis and characterization of p-type boron-doped IIb diamond large single crystals

    Institute of Scientific and Technical Information of China (English)

    Li Shang-Sheng; Ma Hong-An; Li Xiao-Lei; Su Tai-Chao; Huang Guo-Feng; Li Yong; Jia Xiao-Peng

    2011-01-01

    High-quality p-type boron-doped II0b diamond large single crystals are successfully synthesized by the temperature gradient method in a china-type cubic anvil high-pressure apparatus at about 5.5 GPa and 1600 K. The morphologies and surface textures of the synthetic diamond crystals with different boron additive quantities are characterized by using an optical microscope and a scanning electron microscope respectively. The impurities of nitrogen and boron in diamonds are detected by micro Fourier transform infrared technique. The electrical properties including resistivities, Hall coefficients, Hall mobilities and carrier densities of the synthesized samples are measured by a four-point probe and the Hall effect method. The results show that large p-type boron-doped diamond single crystals with few nitrogen impurities have been synthesized. With the increase of quantity of additive boron, some high-index crystal faces such as {113} gradually disappear, and some stripes and triangle pits occur on the crystal surface. This work is helpful for the further research and application of boron-doped semiconductor diamond.

  11. Boron containing poly-(lactide-co-glycolide) (PLGA) scaffolds for bone tissue engineering.

    Science.gov (United States)

    Doğan, Ayşegül; Demirci, Selami; Bayir, Yasin; Halici, Zekai; Karakus, Emre; Aydin, Ali; Cadirci, Elif; Albayrak, Abdulmecit; Demirci, Elif; Karaman, Adem; Ayan, Arif Kursat; Gundogdu, Cemal; Sahin, Fikrettin

    2014-11-01

    Scaffold-based bone defect reconstructions still face many challenges due to their inadequate osteoinductive and osteoconductive properties. Various biocompatible and biodegradable scaffolds, combined with proper cell type and biochemical signal molecules, have attracted significant interest in hard tissue engineering approaches. In the present study, we have evaluated the effects of boron incorporation into poly-(lactide-co-glycolide-acid) (PLGA) scaffolds, with or without rat adipose-derived stem cells (rADSCs), on bone healing in vitro and in vivo. The results revealed that boron containing scaffolds increased in vitro proliferation, attachment and calcium mineralization of rADSCs. In addition, boron containing scaffold application resulted in increased bone regeneration by enhancing osteocalcin, VEGF and collagen type I protein levels in a femur defect model. Bone mineralization density (BMD) and computed tomography (CT) analysis proved that boron incorporated scaffold administration increased the healing rate of bone defects. Transplanting stem cells into boron containing scaffolds was found to further improve bone-related outcomes compared to control groups. Additional studies are highly warranted for the investigation of the mechanical properties of these scaffolds in order to address their potential use in clinics. The study proposes that boron serves as a promising innovative approach in manufacturing scaffold systems for functional bone tissue engineering.

  12. Local atomic and electronic structure of boron chemical doping in monolayer graphene.

    Science.gov (United States)

    Zhao, Liuyan; Levendorf, Mark; Goncher, Scott; Schiros, Theanne; Pálová, Lucia; Zabet-Khosousi, Amir; Rim, Kwang Taeg; Gutiérrez, Christopher; Nordlund, Dennis; Jaye, Cherno; Hybertsen, Mark; Reichman, David; Flynn, George W; Park, Jiwoong; Pasupathy, Abhay N

    2013-10-09

    We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per dopant. Density functional theory calculations indicate that boron dopants interact strongly with the underlying copper substrate while nitrogen dopants do not. The local bonding differences between graphitic boron and nitrogen dopants lead to large scale differences in dopant distribution. The distribution of dopants is observed to be completely random in the case of boron, while nitrogen displays strong sublattice clustering. Structurally, nitrogen-doped graphene is relatively defect-free while boron-doped graphene films show a large number of Stone-Wales defects. These defects create local electronic resonances and cause electronic scattering, but do not electronically dope the graphene film.

  13. Influence of boron concentration on nonlinear absorption and ultrafast dynamics in GaSe crystals

    Science.gov (United States)

    Karatay, Ahmet; Yuksek, Mustafa; Ertap, Hüseyin; Mak, Ali Kemal; Karabulut, Mevlüt; Elmali, Ayhan

    2016-10-01

    The nonlinear absorption properties and ultrafast dynamics of pure and boron doped GaSe crystals have been studied by open aperture Z-scan and ultrafast pump probe spectroscopy techniques. All of the studied crystals showed nonlinear absorption under 100 fs pulse duration and 1200 nm wavelength excitations. Nonlinear absorption coefficients increase with increasing the doping ratio of boron atoms in crystals. These findings indicate that free carrier density increase with boron doping and this behavior leads to excited state absorption. Second harmonic generation signals of crystals were detected with the help of fiber optic spectrometer. The blue shift in the energy of the second harmonic generation signals was observed in boron doped crystals. Ultrafast pump probe experiments indicate that the excited state absorption signal with long lifetime observed for undoped GaSe crystal switches to bleach signal for boron doped GaSe crystals at 625 nm probe wavelength. The effects of increasing doping ratio were observed on ultrafast dynamics as a switching time changes. Our experimental results indicate that it is possible to control nonlinear absorption properties, frequency conversion and ultrafast dynamics of GaSe crystal by changing boron doping ratio.

  14. Experimental evidence of orbital order in α-B12 and γ-B28 polymorphs of elemental boron

    Science.gov (United States)

    Mondal, Swastik; van Smaalen, Sander; Parakhonskiy, Gleb; Prathapa, Siriyara Jagannatha; Noohinejad, Leila; Bykova, Elena; Dubrovinskaia, Natalia; Chernyshov, Dmitry; Dubrovinsky, Leonid

    2013-07-01

    The electron density of the α form of boron has been obtained by multipole refinement against high-resolution, single-crystal x-ray diffraction data measured on a high-quality single crystal at a temperature of 100 K. Topological properties of this density have been used to show that all chemical bonds between B12 clusters in α-B12 are formed due to one orbital on each boron atom that is oriented perpendicular to the surface of the cluster. It is shown that the same orbital order on B12 clusters persists in both α-B12 and γ-B28 polymorphs and in several dodecaboranes, despite the fact that in every case the B12 clusters participate in entirely different kinds of exocluster bonds. It is likely that the same orbital order of B12 clusters can explain bonding in other boron polymorphs and boron-rich solids.

  15. Synthesis of Boron Nanowires, Nanotubes, and Nanosheets

    Directory of Open Access Journals (Sweden)

    Rajen B. Patel

    2015-01-01

    Full Text Available The synthesis of boron nanowires, nanotubes, and nanosheets using a thermal vapor deposition process is reported. This work confirms previous research and provides a new method capable of synthesizing boron nanomaterials. The materials were made by using various combinations of MgB2, Mg(BH42, MCM-41, NiB, and Fe wire. Unlike previously reported methods, a nanoparticle catalyst and a silicate substrate are not required for synthesis. Two types of boron nanowires, boron nanotubes, and boron nanosheets were made. Their morphology and chemical composition were determined through the use of scanning electron microscopy, transmission electron microscopy, and electron energy loss spectroscopy. These boron-based materials have potential for electronic and hydrogen storage applications.

  16. Prediction of boron carbon nitrogen phase diagram

    Science.gov (United States)

    Yao, Sanxi; Zhang, Hantao; Widom, Michael

    We studied the phase diagram of boron, carbon and nitrogen, including the boron-carbon and boron-nitrogen binaries and the boron-carbon-nitrogen ternary. Based on the idea of electron counting and using a technique of mixing similar primitive cells, we constructed many ''electron precise'' structures. First principles calculation is performed on these structures, with either zero or high pressures. For the BN binary, our calculation confirms that a rhmobohedral phase can be stablized at high pressure, consistent with some experimental results. For the BCN ternary, a new ground state structure is discovered and an Ising-like phase transition is suggested. Moreover, we modeled BCN ternary phase diagram and show continuous solubility from boron carbide to the boron subnitride phase.

  17. History of crystalline organic conductor

    Science.gov (United States)

    Murata, Keizo

    2017-05-01

    A brief view of crystalline organic conductor is presented. Since the discovery of TTF-TCNQ (tetrathiafulvalene-tetracyanoquinodimethane) in the mid 1970’s, pressure has been an indispensable tool to develop the physics of this field. From the aspect of charge transfer salt, TTF-TCNQ and its family was specified with partial charge transfer, two chain one-dimensional (1D) system, charge density wave (CDW) and commensurability. On the other hand, in (TMTSF)2X family (TMTSF: tetramethyltetraselenafulvalene, X: electron acceptor such as PF6, ClO4), complete charge transfer, one chain system, spin density wave (SDW), field-induced SDW, quantum Hall effect, superconductivity were discussed. Further, together with pressure itself, cooling rate was noticed to be important for low temperature properties. Recently, coming back to TTF-TCNQ family, i.e., HMTSF-TCNQ, whether or not field-induced CDW, instead of field-induced SDW, and quantum Hall effect is present was discussed (HMTSF: hexamethylene-tetraselenafulvalene). Whether or not the Fermiology in (TMTTF)2X under pressure is similar to that of (TMTSF)2X is discussed as well. In (BEDT-TTF)2X, new aspect of macroscopic polarization of α-(BEDT-TTF)2I3 related to charge order is described. At the end, in contrast to the charge transfer salts, non-charge transfer salt, that is, single component conductor is presented as a new possible example of Dirac cone, which was deeply studied by many researchers in α-(BEDT-TTF)2I3, together with the theoretical calculation of its magnetic susceptibility (BEDT-TTF: bisethylenedithia-tetrathiafulvalene).

  18. Research on the boron contamination at the p/i interface of microcrystalline silicon solar cells deposited in a single PECVD chamber

    Institute of Scientific and Technical Information of China (English)

    Zhang Xiao-Dan; Sun Fu-He; Wei Chang-Chun; Sun Jian; Zhang De-Kun; Geng Xin-Hua; Xiong Shao-Zhen; Zhao Ying

    2009-01-01

    This paper studies boron contamination at the interface between the p and i layers of μc-Si:H solar cells deposited in a single-chamber PECVD system. The boron depth profile in the i layer was measured by Secondary Ion Mass Spectroscopy. It is found that the mixed-phase μc-Si:H materials with 40% crystalline volume fraction is easy to be affected by the residual boron in the reactor. The experimental results showed that a 500-nm thick μc-Si:H covering layer or a 30-seconds of hydrogen plasma treatment can effectively reduce the boron contamination at the p/i interface. However, from viewpoint of cost reduction, the hydrogen plasma treatment is desirable for solar cell manufacture because the substrate is not moved during the hydrogen plasma treatment.

  19. Molecular Orbital and Density Functional Study of the Formation, Charge Transfer, Bonding and the Conformational Isomerism of the Boron Trifluoride (BF3 and Ammonia (NH3 Donor-Acceptor Complex

    Directory of Open Access Journals (Sweden)

    Dulal C. Ghosh

    2004-09-01

    Full Text Available The formation of the F3B–NH3 supermolecule by chemical interaction of its fragment parts, BF3 and NH3, and the dynamics of internal rotation about the ‘B–N’ bond have been studied in terms of parameters provided by the molecular orbital and density functional theories. It is found that the pairs of frontier orbitals of the interacting fragments have matching symmetry and are involved in the charge transfer interaction. The donation process stems from the HOMO of the donor into the LUMO of the acceptor and simultaneously, back donation stems from the HOMO of acceptor into the LUMO of the donor. The density functional computation of chemical activation in the donor and acceptor fragments, associated with the physical process of structural reorganization just prior to the event of chemical reaction, indicates that BF3 becomes more acidic and NH3 becomes more basic, compared to their separate equilibrium states. Theoretically it is observed that the chemical reaction event of the formation of the supermolecule from its fragment parts is in accordance with the chemical potential equalization principle of the density functional theory and the electronegativity equalization principle of Sanderson. The energetics of the chemical reaction, the magnitude of the net charge transfer and the energy of the newly formed bond are quite consistent, both internally and with the principle of maximum hardness, PMH. The dynamics of the internal rotation of one part with respect to the other part of the supermolecule about the ‘B–N’ bond mimics the pattern of the conformational isomerism of the isostructural ethane molecule. It is also observed that the dynamics and evolution of molecular conformations as a function of dihedral angles is also in accordance with the principle of maximum hardness, PMH. Quite consistent with spectroscopic predictions, the height of the molecule

  20. Oxygen radical functionalization of boron nitride nanosheets

    OpenAIRE

    MAY, PETER; Coleman, Jonathan; MCGOVERN, IGNATIUS; GOUNKO, IOURI; Satti, Amro

    2012-01-01

    PUBLISHED The covalent chemical functionalization of exfoliated hexagonal boron-nitride nanosheets (BNNSs) is achieved by the solution phase oxygen radical functionalization of boron atoms in the h-BN lattice. This involves a two-step procedure to initially covalently graft alkoxy groups to boron atoms and the subsequent hydrolytic defunctionalisation of the groups to yield hydroxyl-functionalized BNNSs (OH-BNNSs). Characterization of the functionalized-BNNSs using HR-TEM, Raman, UV-Vis, F...

  1. Boron-10 ABUNCL Active Testing

    Energy Technology Data Exchange (ETDEWEB)

    Kouzes, Richard T.; Ely, James H.; Lintereur, Azaree T.; Siciliano, Edward R.

    2013-07-09

    The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Coincidence Counting With Boron-Based Alternative Neutron Detection Technology at Pacific Northwest National Laboratory (PNNL) for the development of a 3He proportional counter alternative neutron coincidence counter. The goal of this project is to design, build and demonstrate a system based upon 10B-lined proportional tubes in a configuration typical for 3He-based coincidence counter applications. This report provides results from testing of the active mode of the General Electric Reuter-Stokes Alternative Boron-Based Uranium Neutron Coincidence Collar (ABUNCL) at Los Alamos National Laboratory using sources and fuel pins.

  2. Mineral resource of the month: boron

    Science.gov (United States)

    Crangle, Robert D.

    2012-01-01

    The article offers information on the mineral, boron. Boron compounds, particularly borates, have more commercial applications than its elemental relative which is a metalloid. Making up the 90% of the borates that are used worldwide are colemanite, kernite, tincal, and ulexite. The main borate deposits are located in the Mojave Desert of the U.S., the Tethyan belt in southern Asia, and the Andean belt of South America. Underground and surface mining are being used in gathering boron compounds. INSETS: Fun facts;Boron production and consumption.

  3. Effects of heat treatment on properties of boron nitride fiber

    Institute of Scientific and Technical Information of China (English)

    LI Duan; ZHANG ChangRui; LI Bin; CAO Feng; WANG SiQing

    2012-01-01

    The boron nitride fibers were heated at the range of 600-1400°C in flowing nitrogen and air,respectively,and the effects of heat treatment on the structure,composition and morphology of BN fibers were studied.The results showed that BN fibers exhibited smooth surfaces,and that t-BN was the main phase with a little B2O3 included.After heat treatment at 1400°C in nitrogen atmosphere,the fibers displayed rough surfaces with little change in mass.Better crystallinity was obtained with the increasing temperature.During heat treatment in air,the fibers were oxidized severely as the temperature went up,especially at 1400°C.The volatilization of B2O3,HBO2 and H3BO3 led to the pores on the surfaces of the fibers,while the boron oxide glaze and nitrogen gas produced during the oxidation process protected the fibers from further oxidation.

  4. Enhancement in the transport critical current density Jc in YBa2Cu3O7-δ added with an insulating nano crystalline YBa2HfO5.5 perovskite

    Science.gov (United States)

    Rejith, P. P.; Vidya, S.; Solomon, Sam; Thomas, J. K.

    2014-01-01

    When a magnetic field is applied to type II superconductors, such as YBa2Cu307-δ (YBCO), the flux quanta penetrate the material as a regular array of vortices. However when transport currents are applied, they act to move these vortices, thus lowers the critical current density (Jc) as well as destroying superconductivity. The development of microstructures made of YBCO materials has enabled engineers to increase the critical current density, within Type II materials by introducing flux pinning centres into the material. The microstructure and flux pinning properties of YBa2Cu3O7-δ system with varying levels (0-5 wt. %) of a nano perovskite ceramic insulator; YBa2HfO5.5 addition was studied in detail. Orthorhombic YBa2Cu3O7-δ powder was prepared through conventional solid state route and a modified combustion method was used for synthesizing nanocrystalline YBa2HfO5.5. The structure and microstructure of the samples examined by X-ray diffraction and scanning electron microscopy showed that YBa2HfO5.5 and YBCO remained unreacted even at higher processing temperature without deteriorating the superconducting properties. The scanning electron microscope image shows that YBa2HfO5.5 forms an electrical-network between grains. These observations suggest that the YBa2HfO5.5 addition to the Y-123-compounds improve the electrical connection between superconducting grains and substantial improvements in the relative electrical transport properties of the composites. The variation of sintering temperature, density, critical transition temperature (Tc) and magnetic field dependence of critical current density (Jc) of YBa2Cu3O7-δ having different proportions of YBa2HfO5.5 in the matrix were also studied in detail. It is found that the addition of these elements considerably enhances the flux pinning strength of the system, and there is also an increase of critical temperature (Tc) and critical current density (Jc) up to an optimum value of 8.76 × 104 A/cm2 for a

  5. Conduction mechanism in boron carbide

    Science.gov (United States)

    Wood, C.; Emin, D.

    1984-01-01

    Electrical conductivity, Seebeck-coefficient, and Hall-effect measurements have been made on single-phase boron carbides, B(1-x)C(x), in the compositional range from 0.1 to 0.2 X, and between room temperature and 1273 K. The results indicate that the predominant conduction mechanism is small-polaron hopping between carbon atoms at geometrically inequivalent sites.

  6. COLD DRAWING IN CRYSTALLINE POLYMERS

    Science.gov (United States)

    alcohols, phenol) in Nylon 6 produced changes in the crystalline structure as well as plasticizer action; these two effects must therefore be carefully...distinguished. Changes in the crystalline structure were followed by changes in the infrared spectrum. Dynamic mechanical and thermogravimetric analysis

  7. Crystalline Bioceramic Materials

    Directory of Open Access Journals (Sweden)

    de Aza, P. N.

    2005-06-01

    Full Text Available A strong interest in the use of ceramics for biomedical engineering applications developed in the late 1960´s. Used initially as alternatives to metallic materials in order to increase the biocompatibility of implants, bioceramics have become a diverse class of biomaterials, presently including three basic types: relatively bioinert ceramics; bioactive or surface reactive bioceramics and bioresorbable ceramics. This review will only refer to bioceramics “sensus stricto”, it is to say, those ceramic materials constituted for nonmetallic inorganic compounds, crystallines and consolidated by thermal treatments of powders to high temperatures. Leaving bioglasses, glass-ceramics and biocements apart, since, although all of them are obtained by thermal treatments to high temperatures, the first are amorphous, the second are obtained by desvitrification of a glass and in them vitreous phase normally prevails on the crystalline phases and the third are consolidated by means of a hydraulic or chemical reaction to room temperature. A review of the composition, physiochemical properties and biological behaviour of the principal types of crystalline bioceramics is given, based on the literature data and on the own experience of the authors.

    A finales de los años sesenta se despertó un gran interés por el uso de los materiales cerámicos para aplicaciones biomédicas. Inicialmente utilizados como una alternativa a los materiales metálicos, con el propósito de incrementar la biocompatibilidad de los implantes, las biocerámicas se han convertido en una clase diversa de biomateriales, incluyendo actualmente tres tipos: cerámicas cuasi inertes; cerámicas bioactivas o reactivas superficialmente y cerámicas reabsorbibles o biodegradables. En la presente revisión se hace referencia a las biocerámicas en sentido estricto, es decir, a aquellos materiales constitutitos por compuestos inorgánicos no metálicos, cristalinos y consolidados

  8. Ab initio studies of vacancies in (8,0) and (8,8) single-walled carbon and boron nitride nanotubes

    CSIR Research Space (South Africa)

    Mashapa, MG

    2012-09-01

    Full Text Available A systematic study of vacancies in single-walled carbon nanotubes and boron nitride nanotubes was carried out. First principles calculations within the framework of density functional theory using the CASTEP code are used to optimize fully...

  9. Equilibrium p-T Phase Diagram of Boron: Experimental Study and Thermodynamic Analysis

    Science.gov (United States)

    Solozhenko, Vladimir L.; Kurakevych, Oleksandr O.

    2013-01-01

    Solid-state phase transformations and melting of high-purity crystalline boron have been in situ and ex situ studied at pressures to 20 GPa in the 1500–2500 K temperature range where diffusion processes become fast and lead to formation of thermodynamically stable phases. The equilibrium phase diagram of boron has been constructed based on thermodynamic analysis of experimental and literature data. The high-temperature part of the diagram contains p-T domains of thermodynamic stability of rhombohedral β-B106, orthorhombic γ-B28, pseudo-cubic (tetragonal) t'-B52, and liquid boron (L). The positions of two triple points have been experimentally estimated, i.e. β–t'–L at ~ 8.0 GPa and ~ 2490 K; and β–γ–t' at ~ 9.6 GPa and ~ 2230 K. Finally, the proposed phase diagram explains all thermodynamic aspects of boron allotropy and significantly improves our understanding of the fifth element. PMID:23912523

  10. Boron coating on boron nitride coated nuclear fuels by chemical vapor deposition

    Science.gov (United States)

    Durmazuçar, Hasan H.; Gündüz, Güngör

    2000-12-01

    Uranium dioxide-only and uranium dioxide-gadolinium oxide (5% and 10%) ceramic nuclear fuel pellets which were already coated with boron nitride were coated with thin boron layer by chemical vapor deposition to increase the burn-up efficiency of the fuel during reactor operation. Coating was accomplished from the reaction of boron trichloride with hydrogen at 1250 K in a tube furnace, and then sintering at 1400 and 1525 K. The deposited boron was identified by infrared spectrum. The morphology of the coating was studied by using scanning electron microscope. The plate, grainy and string (fiber)-like boron structures were observed.

  11. Boron Separation by the Two-step Ion-Exchange for the Isotopic Measurement of Boron

    Institute of Scientific and Technical Information of China (English)

    WANG,Qing-Zhong(王庆忠); XIAO,Ying-Kai(肖应凯); WANG,Yun-Hui(王蕴惠); ZHANG,Chong-Geng(张崇耿); WEI,Hai-Zhen(魏海珍)

    2002-01-01

    An improved procedure for extraction and purification of boron from natural samples is presented. The separation and purification of boron was carried out using a boron-specific resin, Amberlite IRA743, and a mixed ion exchange resin,Dowex 50W × 8 and Ion Exchanger Ⅱ resin. Using the mixed ion exchange resin which adsorbs all cations and anions except boron, the HCl and other cations and anions left in eluant from the Amberlite IRA 743 were removed effectively. In this case, boron loss can be avoided because the boron-bearing solution does not have to be evaporated to reach dryness to dislodge HCl. The boron recovery ranged from 97.6% to 102% in this study. The isotopic fractionation of boron can be negligible within the precision of the isotopic measurement. The results show that boron separation for the isotopic measurement by using both Amberlite IRA 743 resin and the mixed rein is more effective than that using Amberlite IRA 743 resin alone. The boron in samples of brine, seawater, rock, coral and foraminifer were separated by this procedure. Boron isotopic compositions of these samples were measured by thermal ionization mass spectrometry in this study.

  12. Boron doped simulated graphene field effect transistor model

    Science.gov (United States)

    Sharma, Preetika; Kaur, Inderpreet; Gupta, Shuchi; Singh, Sukhbir

    2016-05-01

    Graphene based electronic devices due to its unique properties has transformed electronics. A Graphene Field Effect Transistor (GNRFET) model is simulated in Virtual Nano Lab (VNL) and the calculations are based on density functional theory (DFT). Simulations were performed on this pristine GNRFET model and the transmission spectrum was observed. The graph obtained showed a uniform energy gap of +1 to -1eV and the highest transmission peak at -1.75 eV. To this pristine model of GNRFET, doping was introduced and its effect was seen on the Fermi level obtained in the transmission spectrum. Boron as a dopant was used which showed variations in both the transmission peaks and the energy gap. In this model, first the single boron was substituted in place of carbon and Fermi level showed an energy gap of 1.5 to -0.5eV with the highest transmission peak at -1.3 eV. In another variation in the model, two carbon atoms were replaced by two boron atoms and Fermi level shifted from 2 to 0.25eV. In this observation, the highest transmission peak was observed at -1(approx.). The use of nanoelectronic devices have opened many areas of applications as GFET is an excellent building block for electronic circuits, and is being used in applications such as high-performance frequency doublers and mixers, digital modulators, phase detectors, optoelectronics and spintronics.

  13. Highly conducting and preferred oriented boron doped nc-Si films for window layers in nc-Si solar cells

    Science.gov (United States)

    Mondal, Praloy; Das, Debajyoti

    2016-05-01

    Growth and optimization of the boron dopednanocrystalline silicon (nc-Si) films have been studied by varyingthe gaspressure applied to the hydrogendiluted silane plasma in RF (13.56 MHz) plasma-enhanced chemical vapor deposition (PECVD) system, using diborane (B2H6) as the dopant gas. High magnitudeof electrical conductivity (~102 S cm-1) andorientedcrystallographic lattice planes have been obtained with high crystalline volume fraction (~86 %) at an optimum pressure of 2.5 Torr. XRD and Raman studies reveal good crystallinity with preferred orientation, suitable for applications in stacked layer devices, particularly in nc-Si solar cells.

  14. Green synthesis of boron doped graphene and its application as high performance anode material in Li ion battery

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, Madhumita; Sreena, K.P.; Vinayan, B.P.; Ramaprabhu, S., E-mail: ramp@iitm.ac.in

    2015-01-15

    Graphical abstract: Boron doped graphene (B-G), synthesized by simple hydrogen induced reduction technique using boric acid as boron precursor, have more uneven surface as a result of smaller bonding distance of boron compared to carbon, showed high capacity and high rate capability compared to pristine graphene as an anode material for Li ion battery application. - Abstract: The present work demonstrates a facile route for the large-scale, catalyst free, and green synthesis approach of boron doped graphene (B-G) and its use as high performance anode material for Li ion battery (LIB) application. Boron atoms were doped into graphene framework with an atomic percentage of 5.93% via hydrogen induced thermal reduction technique using graphite oxide and boric acid as precursors. Various characterization techniques were used to confirm the boron doping in graphene sheets. B-G as anode material shows a discharge capacity of 548 mAh g{sup −1} at 100 mA g{sup −1} after 30th cycles. At high current density value of 1 A g{sup −1}, B-G as anode material enhances the specific capacity by about 1.7 times compared to pristine graphene. The present study shows a simplistic way of boron doping in graphene leading to an enhanced Li ion adsorption due to the change in electronic states.

  15. Hexagonal boron nitride: Ubiquitous layered dielectric for two-dimensional electronics

    Science.gov (United States)

    Jain, Nikhil

    Hexagonal boron nitride (h-BN), a layer-structured dielectric with very similar crystalline lattice to that of graphene, has been studied as a ubiquitous dielectric for two-dimensional electronics. While 2D materials may lead to future platform for electronics, traditional thin-film dielectrics (e.g., various oxides) make highly invasive interface with graphene. Multiple key roles of h-BN in graphene electronics are explored in this thesis. 2D graphene/h-BN heterostructures are designed and implemented in diverse configurations in which h-BN is evaluated as a supporting substrate, a gate dielectric, a passivation layer, or an interposing barrier in "3D graphene" superlattice. First, CVD-grown graphene on h-BN substrate shows improved conductivity and resilience to thermally induced breakdown, as compared with graphene on SiO2, potentially useful for high-speed graphene devices and on-chip interconnects. h-BN is also explored as a gate dielectric for graphene field-effect transistor with 2D heterostructure design. The dielectric strength and tunneling behavior of h-BN are investigated, confirming its robust nature. Next, h-BN is studied as a passivation layer for graphene electronics. In addition to significant improvement in current density and breakdown threshold, fully encapsulated graphene exhibits minimal environmental sensitivity, a key benefit to 2D materials which have only surfaces. Lastly, reduction in interlayer carrier scattering is observed in a double-layered graphene setup with ultrathin h-BN multilayer as an interposing layer. The DFT simulation and Raman spectral analysis indicate reduction in interlayer scattering. The decoupling of the two graphene monolayers is further confirmed by electrical characterization, as compared with other referencing mono- and multilayer configurations. The heterostructure serves as the building element in "3D graphene", a versatile platform for future electronics.

  16. Microarray Analysis of Late Response to Boron Toxicity in Barley (Hordeum vulgare L.) Leaves

    NARCIS (Netherlands)

    Oz, M.T.; Yilmaz, R.; Eyidogan, F.; Graaff, de L.H.; Yucel, M.; Oktem, H.A.

    2009-01-01

    DNA microarrays, being high-density and high-throughput, allow quantitative analyses of thousands of genes and their expression patterns in parallel. In this study, Barley1 GereChip was used to investigate transcriptome changes associated with boron (B) toxicity in a sensitive barley cultivar (Horde

  17. Genetics Home Reference: Bietti crystalline dystrophy

    Science.gov (United States)

    ... Understand Genetics Home Health Conditions Bietti crystalline dystrophy Bietti crystalline dystrophy Enable Javascript to view the expand/ ... boxes. Download PDF Open All Close All Description Bietti crystalline dystrophy is a disorder in which numerous ...

  18. Boron rates for triticale and wheat crops

    Directory of Open Access Journals (Sweden)

    Corrêa Juliano Corulli

    2005-01-01

    Full Text Available No reports are registered on responses to boron fertilization nutrient deficiency and toxicity in triticale crops. The aim of this study was to evaluate triticale response to different rates of boron in comparison to wheat in an hapludox with initial boron level at 0.08 mg dm-3 4 4 factorial design trial completely randomized blocks design (n = 4. Boron rates were 0; 0.62; 1.24 and 1.86 mg dm-3; triticale cultivars were IAC 3, BR 4 and BR 53 and IAPAR 38 wheat crop was used for comparison. The wheat (IAPAR 38 crop presented the highest boron absorption level of all. Among triticale cultivars, the most responsive was IAC 53, presenting similar characteristics to wheat, followed by BR 4; these two crops are considered tolerant to higher boron rates in soil. Regarding to BR 53, no absorption effect was observed, and the cultivars was sensitive to boron toxicity. Absorption responses differed for each genotype. That makes it possible to choose and use the best-adapted plants to soils with different boron rates.

  19. Boron carbide whiskers produced by vapor deposition

    Science.gov (United States)

    1965-01-01

    Boron carbide whiskers have an excellent combination of properties for use as a reinforcement material. They are produced by vaporizing boron carbide powder and condensing the vapors on a substrate. Certain catalysts promote the growth rate and size of the whiskers.

  20. Ultratough single crystal boron-doped diamond

    Science.gov (United States)

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

    2015-05-05

    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  1. Behaviour of boron in Mandovi estuary (Goa)

    Digital Repository Service at National Institute of Oceanography (India)

    Shirodkar, P.V.; Anand, S.P.

    the postmonsoon and removal upto 31.30% in the monsoon were observed. In the postmonsoon months, removal of boron to some extent was observed due to phytoplankton. The pH and dissolved oxygen showed a negative correlation with boron whereas chlorinity...

  2. Possible toxicity of boron on sugar cane

    Energy Technology Data Exchange (ETDEWEB)

    Bravo C., M.

    Analyses of necrotic and green leaf tissues from sugar cane grown in the Tambo Valley (Arequipa, Peru) have shown that the boron concentration in necrotic tissue (average 657.7 ppm) is several times higher than that in the green tissue (average 55.7 ppm). This suggests that the necrosis may be due to boron toxicity.

  3. Boron Carbides As Thermo-electric Materials

    Science.gov (United States)

    Wood, Charles

    1988-01-01

    Report reviews recent theoretical and experimental research on thermoelectric materials. Recent work with narrow-band semiconductors demonstrated possibility of relatively high thermoelectric energy-conversion efficiencies in materials withstanding high temperatures needed to attain such efficiencies. Among promising semiconductors are boron-rich borides, especially boron carbides.

  4. Terahertz Spectroscopy of Crystalline and Non-Crystalline Solids

    DEFF Research Database (Denmark)

    Parrott, Edward P. J.; Fischer, Bernd M.; Gladden, Lynn F.

    2013-01-01

    Terahertz spectroscopy of crystalline and non-crystalline solids is probably one of the most active research fields within the terahertz community. Many potential applications, amongst which spectral recognition is probably one of the most prominent, have significantly stimulated the development...... selected examples, the potential the technique holds for various different applications. A particular focus will be given to data analysis and, in particular, how we may account for effects resulting from non-ideal sample preparation....

  5. Phonon symmetries in hexagonal boron nitride probed by incoherent light emission

    Science.gov (United States)

    Vuong, T. Q. P.; Cassabois, G.; Valvin, P.; Jacques, V.; Van Der Lee, A.; Zobelli, A.; Watanabe, K.; Taniguchi, T.; Gil, B.

    2017-03-01

    Layered compounds are stacks of weakly bound two-dimensional atomic crystals, with a prototypal hexagonal structure in graphene, transition metal dichalcogenides and boron nitride. This crystalline anisotropy results in vibrational modes with specific symmetries depending on the in-plane or out-of-plane atomic displacements. We show that polarization-resolved photoluminescence measurements in hexagonal boron nitride reflect the phonon symmetries in this layered semiconductor. Experiments performed with a detection on the sample edge, perpendicular to the c-axis, reveal the strong polarization-dependence of the emission lines corresponding to the recombination assisted by the three acoustic phonon modes. We elucidate the dipole orientation of the fundamental indirect exciton. We demonstrate evidence of the so-far missing phonon replica due to the optical out-of-plane phonon mode.

  6. Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr Based Metallic Glasses

    OpenAIRE

    Brink, Tobias; Peterlechner, Martin; Rösner, Harald; Albe, Karsten; Wilde, Gerhard

    2015-01-01

    The interaction of shear bands with crystalline nanoprecipitates in Cu-Zr-based metallic glasses is investigated by a combination of high-resolution TEM imaging and molecular-dynamics computer simulations. Our results reveal different interaction mechanisms: Shear bands can dissolve precipitates, can wrap around crystalline obstacles, or can be blocked depending on size and density of the precipitates. If the crystalline phase has a low yield strength, we also observe slip transfer through th...

  7. DETERMINATION OF DEGREE OF CRYSTALLINITY OF NYLON 1212 BY WIDE-ANGLE X-RAY DIFFRACTION

    Institute of Scientific and Technical Information of China (English)

    Jian-bin Song; Min-qiao Ren; Qing-yong Chen; Shu-yun Wang; Qing-xiang Zhao; Hong-fang Zhang; Zhi-shen Mo

    2004-01-01

    Based on the X-ray scattering intensity theory and using the approximate expression for the atomic scattering factor, the correction factors for three crystalline peaks and an amorphous peak of Nylon 1212 were calculated and the formula of degree of crystallinity of Nylon 1212 was derived by a graphic multipeak resolution method. The degree of crystallinity calculated from the WAXD method is compatible with those obtained by density and calorimetry methods.

  8. XPS analysis of boron doped heterofullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Schnyder, B.; Koetz, R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Muhr, H.J.; Nesper, R. [ETH Zurich, Zurich (Switzerland)

    1997-06-01

    Boron heterofullerenes were generated through arc-evaporation of doped graphite rods in a helium atmosphere. According to mass spectrometric analysis only mono-substituted fullerenes like C{sub 59}B, C{sub 69}B and higher homologues together with a large fraction of higher undoped fullerenes were extracted and enriched when pyridine was used as the solvent. XPS analysis of the extracts indicated the presence of two boron species with significantly different binding energies. One peak was assigned to borid acid. The second one corresponds to boron in the fullerene cage, which is mainly C{sub 59}B, according to the mass spectrum. This boron is in a somewhat higher oxidation state than that of ordinary boron-carbon compounds. The reported synthesis and extraction procedure opens a viable route for production of macroscopic amounts of these compounds. (author) 2 figs., 1 tab., 7 refs.

  9. Stabilization of boron carbide via silicon doping.

    Science.gov (United States)

    Proctor, J E; Bhakhri, V; Hao, R; Prior, T J; Scheler, T; Gregoryanz, E; Chhowalla, M; Giulani, F

    2015-01-14

    Boron carbide is one of the lightest and hardest ceramics, but its applications are limited by its poor stability against a partial phase separation into separate boron and carbon. Phase separation is observed under high non-hydrostatic stress (both static and dynamic), resulting in amorphization. The phase separation is thought to occur in just one of the many naturally occurring polytypes in the material, and this raises the possibility of doping the boron carbide to eliminate this polytype. In this work, we have synthesized boron carbide doped with silicon. We have conducted a series of characterizations (transmission electron microscopy, scanning electron microscopy, Raman spectroscopy and x-ray diffraction) on pure and silicon-doped boron carbide following static compression to 50 GPa non-hydrostatic pressure. We find that the level of amorphization under static non-hydrostatic pressure is drastically reduced by the silicon doping.

  10. Boronated mesophase pitch coke for lithium insertion

    Science.gov (United States)

    Frackowiak, E.; Machnikowski, J.; Kaczmarska, H.; Béguin, F.

    Boronated carbons from mesophase pitch have been used as materials for lithium storage in Li/carbon cells. Doping by boron has been realized by co-pyrolysis of coal tar pitch with the pyridine-borane complex. Amount of boron in mesocarbon microbeads (MCMB) varied from 1.4 to 1.8 wt.% affecting the texture of carbon. Optical microscopy and X-ray diffractograms have shown tendency to more disordered structure for boron-doped carbon. The values of specific reversible capacity ( x) varied from 0.7 to 1.1 depending significantly on the final temperature of pyrolysis (700-1150°C). The optimal charge/discharge performance was observed for boronated carbon heated at 1000°C.

  11. New Pathways and Metrics for Enhanced, Reversible Hydrogen Storage in Boron-Doped Carbon Nanospaces

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Peter [University of Missouri; Wexler, Carlos [University of Missouri; Hawthorne, M. Frederick [University of Missouri; Lee, Mark W. [University of Missouri; Jalistegi, Satish S. [University of Missouri

    2014-08-14

    This project, since its start in 2007—entitled “Networks of boron-doped carbon nanopores for low-pressure reversible hydrogen storage” (2007-10) and “New pathways and metrics for enhanced, reversible hydrogen storage in boron-doped carbon nanospaces” (2010-13)—is in support of the DOE's National Hydrogen Storage Project, as part of the DOE Hydrogen and Fuel Cells Program’s comprehensive efforts to enable the widespread commercialization of hydrogen and fuel cell technologies in diverse sectors of the economy. Hydrogen storage is widely recognized as a critical enabling technology for the successful commercialization and market acceptance of hydrogen powered vehicles. Storing sufficient hydrogen on board a wide range of vehicle platforms, at energy densities comparable to gasoline, without compromising passenger or cargo space, remains an outstanding technical challenge. Of the main three thrust areas in 2007—metal hydrides, chemical hydrogen storage, and sorption-based hydrogen storage—sorption-based storage, i.e., storage of molecular hydrogen by adsorption on high-surface-area materials (carbons, metal-organic frameworks, and other porous organic networks), has emerged as the most promising path toward achieving the 2017 DOE storage targets of 0.055 kg H2/kg system (“5.5 wt%”) and 0.040 kg H2/liter system. The objective of the project is to develop high-surface-area carbon materials that are boron-doped by incorporation of boron into the carbon lattice at the outset, i.e., during the synthesis of the material. The rationale for boron-doping is the prediction that boron atoms in carbon will raise the binding energy of hydro- gen from 4-5 kJ/mol on the undoped surface to 10-14 kJ/mol on a doped surface, and accordingly the hydro- gen storage capacity of the material. The mechanism for the increase in binding energy is electron donation from H2 to electron-deficient B atoms, in the form of sp2 boron-carbon bonds. Our team is proud to have

  12. Non-boronized compared with boronized operation of ASDEX Upgrade with full-tungsten plasma facing components

    Science.gov (United States)

    Kallenbach, A.; Dux, R.; Mayer, M.; Neu, R.; Pütterich, T.; Bobkov, V.; Fuchs, J. C.; Eich, T.; Giannone, L.; Gruber, O.; Herrmann, A.; Horton, L. D.; Maggi, C. F.; Meister, H.; Müller, H. W.; Rohde, V.; Sips, A.; Stäbler, A.; Stober, J.; ASDEX Upgrade Team

    2009-04-01

    After completion of the tungsten coating of all plasma facing components, ASDEX Upgrade has been operated without boronization for 1 1/2 experimental campaigns. This has allowed the study of fuel retention under conditions of relatively low D co-deposition with low-Z impurities as well as the operational space of a full-tungsten device for the unfavourable condition of a relatively high intrinsic impurity level. Restrictions in operation were caused by the central accumulation of tungsten in combination with density peaking, resulting in H-L backtransitions induced by too low separatrix power flux. Most important control parameters have been found to be the central heating power, as delivered predominantly by ECRH, and the ELM frequency, most easily controlled by gas puffing. Generally, ELMs exhibit a positive impact, with the effect of impurity flushing out of the pedestal region overbalancing the ELM-induced W source. The restrictions of plasma operation in the unboronized W machine occurred predominantly under low or medium power conditions. Under medium-high power conditions, stable operation with virtually no difference between boronized and unboronized discharges was achieved. Due to the reduced intrinsic radiation with boronization and the limited power handling capability of VPS coated divertor tiles (≈10 MW m-2), boronized operation at high heating powers was possible only with radiative cooling. To enable this, a previously developed feedback system using (thermo-)electric current measurements as approximate sensor for the divertor power flux was introduced into the standard AUG operation. To avoid the problems with reduced ELM frequency due to core plasma radiation, nitrogen was selected as radiating species since its radiative characteristic peaks at lower electron temperatures in comparison with Ne and Ar, favouring SOL and divertor radiative losses. Nitrogen seeding resulted not only in the desired divertor power load reduction but also in improved

  13. Structural and electronic properties of boron-doped double-walled silicon carbide nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Behzad, Somayeh, E-mail: somayeh.behzad@gmail.co [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of); Moradian, Rostam [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of); Nano Science and Technology Research Center, Razi University, Kermanshah (Iran, Islamic Republic of); Computational Physical Science Research Laboratory, Department of Nano Science, Institute for Studies in Theoretical Physics and Mathematics (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Chegel, Raad [Physics Department, Faculty of Science, Razi University, Kermanshah (Iran, Islamic Republic of)

    2010-12-01

    The effects of boron doping on the structural and electronic properties of (6,0)-(14,0) double-walled silicon carbide nanotube (DWSiCNT) are investigated by using spin-polarized density functional theory. It is found that boron atom could be more easily doped in the inner tube. Our calculations indicate that a Si site is favorable for B under C-rich condition and a C site is favorable under Si-rich condition. Additionally, B-substitution at either single carbon or silicon atom site in DWSiCNT could induce spontaneous magnetization.

  14. Synthesis and spectroscopic study of highly fluorescent β-enaminone based boron complexes

    Science.gov (United States)

    Kumbhar, Haribhau S.; Gadilohar, Balu L.; Shankarling, Ganapati S.

    2015-07-01

    The newly synthesized 1, 1, 2-trimethyl-1H benzo[e]indoline based β-enaminone boron complexes exhibited the intense fluorescence (Fmax = 522-547 nm) in solution as well as in solid state (Fmax = 570-586 nm). These complexes exhibited large stoke shift, excellent thermal and photo stability when compared to the boron dipyrromethene (BODIPY) colorants. Optimized geometry and orbital distribution in ground states were computed by employing density functional theory (DFT). The cyclic voltammetry study revealed the better electron transport ability of these molecules than current electroluminescent materials like tris(8-hydroxyquinoli-nato)-aluminium (Alq3) and BODIPY, which can find application in electroluminescent devices.

  15. Dimeric configurations of atomic hydrogen adsorbed on a monolayer hexagonal boron nitride

    Science.gov (United States)

    Shi, Jianzhang; Hao, Ruirui; Ji, Linan; Feng, Shujian; Sun, Tianye

    2017-10-01

    Atomic hydrogen adsorbed on the two-dimensional monolayer hexagonal boron nitride is systematically discussed based on dispersion-corrected density function theory (DFT-D). Main emphasis has been placed on aggregation states of two hydrogen atoms, including equal or ectopic adsorption with single side, and double-sided adsorption. The hydrogen atoms are chemisorbed on the top of boron sites, while they are physisorbed on the top of nitrogen or honeycomb sites. Furthermore, two adsorbed hydrogen atoms are most likely to keep close to form meta-TB dimer with single side. Besides, a possible stabilizing mechanism related to the adsorbed performance is investigated.

  16. Detecting CO, NO and NO2 gases by Boron-doped graphene nanoribbon molecular devices

    Science.gov (United States)

    Xie, Zhen; Zuo, Xi; Zhang, Guang-Ping; Li, Zong-Liang; Wang, Chuan-Kui

    2016-07-01

    Combining nonequilibrium Green's function method and density functional theory, an azulene-like dipole molecule sandwiched between two graphene nanoribbon (GNR) electrodes are explored to gas sensors. Both the pristine zigzag edged GNR and Boron-doped armchair-edged GNR are considered in this study. It shows that certain specific toxic molecules CO, NO and NO2 would adsorb on the doped Boron atoms of the GNR, resulting in a dramatic change in the current-voltage profile. Changes in the subbands of electrodes, induced by gas adsorption, are responsible for the variation of current. The devices are thus demonstrated to be sensitive nanosensors for these toxic gases.

  17. Untangling the Energetics and Dynamics of Boron Monoxide Radical Reactions (11BO; X2Sigma+)

    Science.gov (United States)

    2015-04-15

    energy-density molecules and builds up on our previously successful synthesis of higher carbon oxides COx (x=3-6). Higher-order carbon sulfides - carbon...3.1. Crossed Beam Reactions of Boron Monoxide with Acetylene anmd Ethylene (P1, P8) The reaction dynamics of boron monoxide (BO; X2Σ...with acetylene (C2H2; X1Σg+) and with ethylene (C2H4; X1Ag) were investigated under single collision conditions at collision energy of 12 to 13 kJ mol

  18. Superconductivity of metallic boron in MgB2.

    Science.gov (United States)

    Kortus, J; Mazin, I I; Belashchenko, K D; Antropov, V P; Boyer, L L

    2001-05-14

    Boron in MgB2 forms stacks of honeycomb layers with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizable electron-phonon coupling. Together with high phonon frequencies, which we estimate via zone-center frozen phonon calculations to be between 300 and 700 cm(-1), this produces a high critical temperature, consistent with recent experiments. Thus MgB2 can be viewed as an analog of the long sought, but still hypothetical, superconducting metallic hydrogen.

  19. Electronic structure of superlattices of graphene and hexagonal boron nitride

    KAUST Repository

    Kaloni, Thaneshwor P.

    2011-11-14

    We study the electronic structure of superlattices consisting of graphene and hexagonal boron nitride slabs, using ab initio density functional theory. We find that the system favors a short C–B bond length at the interface between the two component materials. A sizeable band gap at the Dirac point is opened for superlattices with single graphene layers but not for superlattices with graphene bilayers. The system is promising for applications in electronic devices such as field effect transistors and metal-oxide semiconductors.

  20. Boron and nitrogen doping in graphene antidot lattices

    Science.gov (United States)

    Brun, Søren J.; Pereira, Vitor M.; Pedersen, Thomas G.

    2016-06-01

    Bottom-up fabrication of graphene antidot lattices (GALs) has previously yielded atomically precise structures with subnanometer periodicity. Focusing on this type of experimentally realized GAL, we perform density functional theory calculations on the pristine structure as well as GALs with edge carbon atoms substituted with boron or nitrogen. We show that p - and n -type doping levels emerge with activation energies that depend on the level of hydrogenation at the impurity. Furthermore, a tight-binding parametrization together with a Green's function method are used to describe more dilute doping. Finally, random configurations of impurities in moderately doped systems are considered to show that the doping properties are robust against disorder.

  1. Tuning the optical response in carbon doped boron nitride nanodots

    KAUST Repository

    Mokkath, Junais Habeeb

    2014-09-04

    Time dependent density functional theory and the hybrid B3LYP functional are used to investigate the structural and optical properties of pristine and carbon doped hexagonal boron nitride nanodots. In agreement with recent experiments, the embedded carbon atoms are found to favor nucleation. Our results demonstrate that carbon clusters of different shapes promote an early onset of absorption by generating in-gap states. The nanodots are interesting for opto-electronics due to their tunable optical response in a wide energy window. We identify cluster sizes and shapes with optimal conversion efficiency for solar radiation and a wide absorption range form infrared to ultraviolet. This journal is

  2. Molecular dynamics of halogenated graphene - hexagonal boron nitride nanoribbons

    Science.gov (United States)

    Nemnes, G. A.; Visan, Camelia; Anghel, D. V.; Manolescu, A.

    2016-08-01

    The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using ab initio density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a few interatomic distances wide. Several structures are analyzed, namely pristine graphene, hBN and G-hBN systems. By passivating the nanoribbon edges with hydrogen and different halogen atoms, one may tune the electronic and mechanical properties, like the band gap energies and the natural frequencies of vibration.

  3. Amorphization of Crystalline Water Ice

    CERN Document Server

    Zheng, Weijun; Kaiser, Ralf I

    2008-01-01

    We conducted a systematic experimental study to investigate the amorphization of crystalline ice by irradiation in the 10-50 K temperature range with 5 keV electrons at a dose of ~140 eV per molecule. We found that crystalline water ice can be converted partially to amorphous ice by electron irradiation. Our experiments showed that some of the 1.65-micrometer band survived the irradiation, to a degree that depends on the temperature, demonstrating that there is a balance between thermal recrystallization and irradiation-induced amorphization, with thermal recrystallizaton dominant at higher temperatures. At 50 K, recrystallization due to thermal effects is strong, and most of the crystalline ice survived. Temperatures of most known objects in the solar system, including Jovian satellites, Saturnian satellites, and Kuiper belt objects, are equal to or above 50 K, this might explain why water ice detected on those objects is mostly crystalline.

  4. Liquid-crystalline lanthanide complexes

    OpenAIRE

    Binnemans, Koen

    1999-01-01

    The paper describes the recent developments in the field of liquid-crystalline lanthanide complexes. The role of trivalent lanthanide ions as the central metal ion in metallomesogens is considered. An outlook for the future is given.

  5. Diffusion in porous crystalline materials

    NARCIS (Netherlands)

    Krishna, R.

    2012-01-01

    The design and development of many separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within porous crystalline materials. This tutorial review presents a unified, phenomenological description of diffusion inside meso-

  6. Synthesis of Boron-doped Diamond/Porous Ti Composite Materials——Effect of Carbon Concentration

    Institute of Scientific and Technical Information of China (English)

    MA Ming; CHANG Ming; LI Xiaowei

    2012-01-01

    Highly boron-doped diamond films were deposited on porous titanium substrates by hot filament chemical vapor deposition technique.The morphology variation of highly boron-doped diamond films grown on porous titanium substrates was investigated,and the effects of carbon concentration on nucleation density and diamond growth were also studied.The continuous change of surface morphology and structure of diamond film were characterized by scanning electron microscopy.The structures of diamond film and interlayer were analyzed by X-ray diffraction.The quality of boron-doped diamond film was confirmed by visible Raman spectroscopy.The experimental results reveal that surface morphology and quality of boron-doped diamond films are various due to the change of carbon concentration.The thickness of intermediate layer decreases with the carbon concentration increasing.

  7. Study and optimization of boronization in Alcator C-Mod using the Surface Science Station (S{sup 3})

    Energy Technology Data Exchange (ETDEWEB)

    Ochoukov, Roman, E-mail: ochoukov@psfc.mit.edu [Plasma Science and Fusion Center MIT, NW17, 175 Albany Street, Cambridge, MA 02139 (United States); Whyte, Dennis; Lipschultz, Bruce; LaBombard, Brian [Plasma Science and Fusion Center MIT, NW17, 175 Albany Street, Cambridge, MA 02139 (United States); Gierse, Niels [Institute of Energy and Climate Research - Plasma Physics, Forschungszentrum Juelich GmbH, Association EURATOM-FZJ, Partner in the Trilateral Euregio Cluster, Juelich (Germany); Physikalisches Institut, Universitaet zu Koeln, D-50937 Cologne (Germany); Harrison, Soren [Fusion Research Technologies, 519 Somerville Avenue 243, Somerville, MA 02143 (United States)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Boron deposition profiles measured on Alcator C-Mod during boronization. Black-Right-Pointing-Pointer Boron deposition profile is consistent with ionic deposition. Black-Right-Pointing-Pointer Monte Carlo simulation of boron deposition agrees with experiment assuming warm ({approx}1-10 eV) boron{sup +1} ions. - Abstract: A Surface Science Station (S{sup 3}) on the Alcator C-Mod tokamak is used to study and optimize the location and rate of boron film deposition in situ during electron cyclotron (EC) discharge plasmas using 2.45 GHz radio-frequency (RF) heating and a mixture of helium and diborane (B{sub 2}D{sub 6}) gasses. The radial profile of boron deposition is measured with a pair of quartz microbalances (QMB) on S{sup 3}, the faces of which can be rotated 360 Degree-Sign including orientations parallel and perpendicular to the toroidal magnetic field B{sub T} {approx}0.1 T. The plasma electron density is measured with a Langmuir probe, also on S{sup 3} in the vicinity of the QMBs, and typical values are {approx}1 Multiplication-Sign 10{sup 16} m{sup -3}. A maximum boron deposition rate of 0.82 {mu}g/cm{sup 2}/min is obtained, which corresponds to 3.5 nm/min if the film density is that of solid boron. These deposition rates are sufficient for boron film applications between tokamak discharges. However the deposition does not peak at the EC resonance as previously assumed. Rather, deposition peaks near the upper hybrid (UH) resonance, {approx}5 cm outboard of the EC resonance. This has implications for RF absorption, with the RF waves being no longer damped on the electrons at the EC resonance. The previously inferred radial locations of critical erosion zones in Alcator C-Mod also need to be re-evaluated. The boron deposition profile versus major radius follows the ion flux/density profile, implying that the boron deposition is primarily ionic. The application of a vertical magnetic field (B{sub V} {approx}0.01 T) was

  8. The Coefficients of Thermal Expansion of Boron Arsenide (B12As2) Between 25 C and 850 C

    Energy Technology Data Exchange (ETDEWEB)

    Whiteley, Clinton E. [Kansas State University; Kirkham, Melanie J [ORNL; Edgar, J H [Kansas State University

    2013-01-01

    The semiconductor boron arsenide has a high 10B density, a wide bandgap, and a high melting temperature, all of which make it an interesting candidate for high-temperature electronic devices and radiation detectors. The present investigation was undertaken to determine the coefficients of thermal expansion for boron arsenide. B12As2 powder was synthesized from boron and arsenic heated in a sealed quartz ampoule at 1100 C for 72 hrs with excess boron. Using high temperature X-ray diffraction (HTXRD) between 25 C and 850 C, the average lattice coefficients of thermal expansion were measured perpendicular and parallel to the <111> axis in the rhombohedral setting (equivalent to the a and c axes in the hexagonal setting): 4.9x10-6 K-1 and 5.3x10-6 K-1, respectively. The average unit cell volumetric coefficient of thermal expansion was determined to be 1.5x10-5 K-1.

  9. Boron enrichment in martian clay.

    Directory of Open Access Journals (Sweden)

    James D Stephenson

    Full Text Available We have detected a concentration of boron in martian clay far in excess of that in any previously reported extra-terrestrial object. This enrichment indicates that the chemistry necessary for the formation of ribose, a key component of RNA, could have existed on Mars since the formation of early clay deposits, contemporary to the emergence of life on Earth. Given the greater similarity of Earth and Mars early in their geological history, and the extensive disruption of Earth's earliest mineralogy by plate tectonics, we suggest that the conditions for prebiotic ribose synthesis may be better understood by further Mars exploration.

  10. Boron Enrichment in Martian Clay

    Science.gov (United States)

    Nagashima, Kazuhide; Freeland, Stephen J.

    2013-01-01

    We have detected a concentration of boron in martian clay far in excess of that in any previously reported extra-terrestrial object. This enrichment indicates that the chemistry necessary for the formation of ribose, a key component of RNA, could have existed on Mars since the formation of early clay deposits, contemporary to the emergence of life on Earth. Given the greater similarity of Earth and Mars early in their geological history, and the extensive disruption of Earth's earliest mineralogy by plate tectonics, we suggest that the conditions for prebiotic ribose synthesis may be better understood by further Mars exploration. PMID:23762242

  11. Electrophilic Trifluoromethylselenolation of Boronic Acids

    Directory of Open Access Journals (Sweden)

    Clément Ghiazza

    2017-05-01

    Full Text Available Trifluoromethylselenylated compounds are emergent compounds with interesting physicochemical properties that still suffer from a lack of efficient synthetic methods. We recently developed an efficient one-pot strategy to generate in situ CF3SeCl and use it in various reactions. Herein, we continue our study of the reactivity scope of this preformed reagent. Cross-coupling reactions with aromatic and heteroaromatic boronic acids have been investigated. The expected products have been obtained, using a stoichiometric amount of copper, with moderate yields.

  12. Complementary incorporation of boron compounds with different cellular targets in melanoma

    Energy Technology Data Exchange (ETDEWEB)

    Morre, D.E. [University of Sydney, Dept. of Pharmacy, Sydney, NSW (Australia); Setiawan, Y.; Allen, B.J. [St George Cancer Care Centre, Kogarah, NSW (Australia)

    1996-12-31

    Full text. The heterogeneity of malignant tumours is well known, and post-surgical control may only be achieved by the application of a number of adjuvant therapies. In boron neutron capture therapy (BNCT), a similar effect could be achieved by utilising boron compounds with quite different uptake and incorporation mechanisms. While tumour growth delay or control can be induced by BNCT in animal models, long term control in human patients may be much more difficult. Thus we have carried out experiments with two boron compounds which exhibit quite different pharmacokinetics and interact with cancer cells by quite different mechanisms. The compounds studied were p-boronophenylalanine (BPA) and boronated low density lipoprotein (B-LDL). Non-specific boron compounds such as n-alkyl carboranes can be delivered to melanoma tumour cells when incorporated in reconstituted LDL. Biodistribution studies were performed with BALB/c mice bearing subcutaneous Harding-Passey melanoma xenografts. The mice were pretreated with a high fat diet and hydrocortisone to down regulate the non-autonomous LDL receptors. A tumour to blood boron concentration ratio of 5:1 was achieved 18 hours after administration of B-LDL. The same compound administered in a non-specific arachis oil vehicle failed to demonstrate selective uptake in the tumour. Neutron capture therapy using B-LDL as the boron delivery vehicle produced a growth delay effect on the tumours which was equivalent to that found when BPA was administered as the fructose complex to develop a similar boron concentration in the tumour. This is indicative that the boron microdistribution across different types of tumour cells achieved by B-LDL has a similar effect to that achieved by BPA in the tumour model, even though the uptake mechanisms for BPA and B-LDL are different. BPA uptake is thought to be dependent on the amino acid transport mechanism, whereas receptor density determines LDL incorporation. Thus the combined administration

  13. Effect of boron on sintering of a ferritic stainless steel; Efecto del boro en la sinterizacion de un acero inoxidable ferritico

    Energy Technology Data Exchange (ETDEWEB)

    Cabral-Miramontes, J. A.; Barceinas-Sanchez, J. D. O.; Velez-Jacobo, L.; Martinez-Villafane, A.; Chacon-Nava, J. G.

    2008-07-01

    This work studies the effect of boron on the density of a 409Nb ferritic stainless steel obtained by powder metallurgy during the process of sintering. The purpose of adding boron is to promote the formation of a liquid phase during sintering at temperatures below 120 degree centigrade . The boron contents varied from 0.0 to 1.5%wt. Specimens were compacted at 700MPa, and sintering was made at 1075 and 1150 degree centigrade during 60 minutes under a hydrogen atmosphere, using a heating rate of 20 degree centigrade/min. Density values were determined by the Archimedes method, and the samples were analysed using scanning electron microscopy. This work shows the dependence of the steel density and morphology of the microstructure as a function of boron content and the temperature of sintering. (Author) 29 refs.

  14. Boron nanoparticles inhibit turnour growth by boron neutron capture therapy in the murine B16-OVA model

    DEFF Research Database (Denmark)

    Petersen, Mikkel Steen; Petersen, Charlotte Christie; Agger, Ralf

    2008-01-01

    Background: Boron neutron capture therapy usually relies on soluble, rather than particulate, boron compounds. This study evaluated the use of a novel boron nanoparticle for boron neutron capture therapy. Materials and Methods: Two hundred and fifty thousand B16-OVA tumour cells, pre-incubated wi...

  15. Growth and electrical characterisation of {delta}-doped boron layers on (111) diamond surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Edgington, Robert; Jackman, Richard B. [London Centre for Nanotechnology, and Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London, WC1H 0AH (United Kingdom); Sato, Syunsuke; Ishiyama, Yuichiro; Kawarada, Hiroshi [Department of Electronic and Photonic Systems, Waseda University, Okubo 3-4-1, Shinjuku, Tokyo 169-8555 (Japan); Morris, Richard [Advanced SIMS Projects, Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2012-02-01

    A plasma enhanced chemical vapor deposition protocol for the growth of {delta}-doping of boron in diamond is presented, using the (111) diamond plane as a substrate for diamond growth. AC Hall effect measurements have been performed on oxygen terminated {delta}-layers and desirable sheet carrier densities ({approx}10{sup 13} cm{sup -2}) for field-effect transistor application are reported with mobilities in excess of what would expected for equivalent but thicker heavily boron-doped diamond films. Temperature-dependent impedance spectroscopy and secondary ion mass spectroscopy measurements show that the grown layers have metallic-like electrical properties with high cut-off frequencies and low thermal impedance activation energies with estimated boron concentrations of approximately 10{sup 20} cm{sup -3}.

  16. Superconductivity in boron carbide? Clarification by low-temperature MIR/FIR spectra.

    Science.gov (United States)

    Werheit, H; Kuhlmann, U

    2011-11-01

    The electronic structure and phonon density of B(13)B(2) boron carbide calculated by Calandra et al (2004 Phys. Rev. B 69 224505) defines this compound as metallic, and the authors predict superconductivity with T(C)s up to 36.7 K. Their results are affected by the same deficiencies as former band structure calculations on boron carbides based on hypothetical crystal structures deviating significantly from the real ones. We present optical mid IR/far IR (MIR/FIR) spectra of boron carbide with compositions between B(4.3)C and B(10.37)C, evidencing semiconducting behaviour at least down to 30 K. There is no indication of superconductivity. The spectra yield new information on numerous localized gap states close to the valence band edge.

  17. Boronic Acid Group: A Cumbersome False Negative Case in the Process of Drug Design

    Directory of Open Access Journals (Sweden)

    Sotirios Katsamakas

    2016-09-01

    Full Text Available Herein we present, an exhaustive docking analysis considering the case of autotaxin (ATX. HA155, a small molecule inhibitor of ATX, is co-crystallized. In order to further extract conclusions on the nature of the bond formed between the ligands and the amino acid residues of the active site, density functional theory (DFT calculations were undertaken. However, docking does not provide reproducible results when screening boronic acid derivatives and their binding orientations to protein drug targets. Based on natural bond orbital (NBO calculations, the formed bond between Ser/Thr residues is characterized more accurately as a polar covalent bond instead of a simple nonpolar covalent one. The presented results are acceptable and could be used in screening as an active negative filter for boron compounds. The hydroxyl groups of amino acids are bonded with the inhibitor’s boron atom, converting its hybridization to sp3.

  18. Comparison of Boron diffused emitters from BN, BSoD and H3BO3 dopants

    Science.gov (United States)

    Singha, Bandana; Singh Solanki, Chetan

    2016-12-01

    In this work, we are comparing different limited boron dopant sources for the emitter formation in n-type c-Si solar cells. High purity boric acid solution, commercially available boron spin on dopant and boron nitride solid source are used for comparison of emitter doping profiles for the same time and temperature conditions of diffusion. The characterizations done for the similar sheet resistance values for all the dopant sources show different surface morphologies and different device parameters. The measured emitter saturation current densities (Joe) are more than 20 fA cm-2 for all the dopant sources. The bulk carrier lifetimes measured for different diffusion conditions and different solar cell parameters for the similar sheet resistance values show the best result for boric acid diffusion and the least for BN solid source. So, different dopant sources result in different emitter and cell performances.

  19. Measurements and simulations of boron carbide as degrader material for proton therapy

    Science.gov (United States)

    Gerbershagen, Alexander; Baumgarten, Christian; Kiselev, Daniela; van der Meer, Robert; Risters, Yannic; Schippers, Marco

    2016-07-01

    We report on test measurements using boron carbide (B4C) as degrader material in comparison with the conventional graphite, which is currently used in many proton therapy degraders. Boron carbide is a material of lower average atomic weight and higher density than graphite. Calculations predict that, compared to graphite, the use of boron carbide results in a lower emittance behind the degrader due to the shorter degrader length. Downstream of the acceptance defining collimation system we expect a higher beam transmission, especially at low beam energies. This is of great interest in proton therapy applications as it allows either a reduction of the beam intensity extracted from the cyclotron leading to lower activation or a reduction of the treatment time. This paper summarizes the results of simulations and experiments carried out at the PROSCAN facility at the Paul Scherrer Institute1. The simulations predict an increase in the transmitted beam current after the collimation system of approx. 30.5% for beam degradation from 250 to 84 MeV for a boron carbide degrader compared to graphite. The experiment carried out with a boron carbide block reducing the energy to 84 MeV yielded a transmission improvement of 37% compared with the graphite degrader set to that energy.

  20. Fabrication of vertically aligned diamond whiskers from highly boron-doped diamond by oxygen plasma etching.

    Science.gov (United States)

    Terashima, Chiaki; Arihara, Kazuki; Okazaki, Sohei; Shichi, Tetsuya; Tryk, Donald A; Shirafuji, Tatsuru; Saito, Nagahiro; Takai, Osamu; Fujishima, Akira

    2011-02-01

    Conductive diamond whiskers were fabricated by maskless oxygen plasma etching on highly boron-doped diamond substrates. The effects of the etching conditions and the boron concentration in diamond on the whisker morphology and overall substrate coverage were investigated. High boron-doping levels (greater than 8.4 × 10(20) cm(-3)) are crucial for the formation of the nanosized, densely packed whiskers with diameter of ca. 20 nm, length of ca. 200 nm, and density of ca. 3.8 × 10(10) cm(-2) under optimal oxygen plasma etching conditions (10 min at a chamber pressure of 20 Pa). Confocal Raman mapping and scanning electron microscopy illustrate that the boron distribution in the diamond surface region is consistent with the distribution of whisker sites. The boron dopant atoms in the diamond appear to lead to the initial fine column formation. This simple method could provide a facile, cost-effective means for the preparation of conductive nanostructured diamond materials for electrochemical applications as well as electron emission devices.

  1. Biophotonic low-coherence sensors with boron-doped diamond thin layer

    Science.gov (United States)

    Milewska, D.; Karpienko, K.; Sobaszek, M.; Jedrzejewska-Szczerska, M.

    2016-03-01

    Low-coherence sensors using Fabry-Perot interferometers are finding new applications in biophotonic sensing, especially due to the rapid technological advances in the development of new materials. In this paper we discuss the possibility of using boron-doped nanodiamond layers to protect mirror in a Fabry-Perot interferometer. A low-coherence sensor using Fabry-Perot interferometer with a boron-doped nanodiamond (B-NCD) thin protective layer has been developed. B-NCD layers with different boron doping level were investigated. The boron level, expressed as the boron to carbon (/[C]) ratio in the gas phase, was: 0, 2000, 5000 or 10000 ppm. B-NCD layers were grown by chemical vapor deposition (CVD). The sensing Fabry-Perot interferometer, working in the reflective mode, was connected to the source and to the optical processor by single-mode fibers. Superluminescent diodes with Gaussian spectral density were used as sources, while an optical spectrum analyzer was used as an optical processor. The design of the sensing interferometer was optimized to attain the maximum interference contrast. The experiment has shown that B-NCD thin layers can be successfully used in biophotonic sensors.

  2. The interaction of boron with goethite: experiments and CD-MUSIC modeling.

    Science.gov (United States)

    Goli, Esmaiel; Rahnemaie, Rasoul; Hiemstra, Tjisse; Malakouti, Mohammad Jafar

    2011-03-01

    Boron (B) is an essential element for plants and animals growth that interacts with mineral surfaces regulating its bioavailability and mobility in soils, sediments, and natural ecosystems. The interaction with mineral surfaces is quite important because of a narrow range between boron deficiency and toxicity limits. In this study, the interaction of boric acid with goethite (α-FeOOH) was measured in NaNO(3) background solution as a function of pH, ionic strength, goethite and boron concentration representing as adsorption edges and isotherms. Boron adsorption edges showed a bell-shaped pattern with maximum adsorption around pH 8.50, whereas adsorption isotherms were rather linear. The adsorption data were successfully described with the CD-MUSIC model in combination with the Extended Stern (ES) model. The charge distribution (CD) of inner-sphere boron surface complexes was calculated from the geometry optimized with molecular orbital calculations applying density functional theory (MO/DFT). The CD modeling suggested dominant binding of boric acid as a trigonal inner-sphere complex with minor contributions of a tetrahedral inner-sphere complex (at high pH) and a trigonal outer-sphere complex (at low pH). The interpretation with the CD model is consistent with the spectroscopic observations.

  3. Measurements and simulations of boron carbide as degrader material for proton therapy.

    Science.gov (United States)

    Gerbershagen, Alexander; Baumgarten, Christian; Kiselev, Daniela; van der Meer, Robert; Risters, Yannic; Schippers, Marco

    2016-07-21

    We report on test measurements using boron carbide (B4C) as degrader material in comparison with the conventional graphite, which is currently used in many proton therapy degraders. Boron carbide is a material of lower average atomic weight and higher density than graphite. Calculations predict that, compared to graphite, the use of boron carbide results in a lower emittance behind the degrader due to the shorter degrader length. Downstream of the acceptance defining collimation system we expect a higher beam transmission, especially at low beam energies. This is of great interest in proton therapy applications as it allows either a reduction of the beam intensity extracted from the cyclotron leading to lower activation or a reduction of the treatment time. This paper summarizes the results of simulations and experiments carried out at the PROSCAN facility at the Paul Scherrer Institute(1). The simulations predict an increase in the transmitted beam current after the collimation system of approx. 30.5% for beam degradation from 250 to 84 MeV for a boron carbide degrader compared to graphite. The experiment carried out with a boron carbide block reducing the energy to 84 MeV yielded a transmission improvement of 37% compared with the graphite degrader set to that energy.

  4. Autoionizing states of atomic boron

    Science.gov (United States)

    Argenti, Luca; Moccia, Roberto

    2016-04-01

    We present a B -spline K -matrix method for three-active-electron atoms in the presence of a polarizable core, with which it is possible to compute multichannel single-ionization scattering states with good accuracy. We illustrate the capabilities of the method by computing the parameters of several autoionizing states of the boron atom, with S2e, 2,o2P and D2e symmetry, up to at least the 2 p2(1S) excitation threshold of the B ii parent ion, as well as selected portions of the photoionization cross section from the ground state. Our results exhibit remarkable gauge consistency, they significantly extend the existing sparse record of data for the boron atom, and they are in good agreement with the few experimental and theoretical data available in the literature. These results open the way to extend to three-active-electron systems the spectral analysis of correlated wave packets in terms of accurate scattering states that has already been demonstrated for two-electron atoms in Argenti and Lindroth [Phys. Rev. Lett. 105, 053002 (2010), 10.1103/PhysRevLett.105.053002].

  5. Combustion synthesis of novel boron carbide

    Science.gov (United States)

    Harini, R. Saai; Manikandan, E.; Anthonysamy, S.; Chandramouli, V.; Eswaramoorthy, D.

    2013-02-01

    The solid-state boron carbide is one of the hardest materials known, ranking third behind diamond and cubic boron nitride. Boron carbide (BxCx) enriched in the 10B isotope is used as a control rod material in the nuclear industry due to its high neutron absorption cross section and other favorable physico-chemical properties. Conventional methods of preparation of boron carbide are energy intensive processes accompanied by huge loss of boron. Attempts were made at IGCAR Kalpakkam to develop energy efficient and cost effective methods to prepare boron carbide. The products of the gel combustion and microwave synthesis experiments were characterized for phase purity by XRD. The carbide formation was ascertained using finger-print spectroscopy of FTIR. Samples of pyrolized/microwave heated powder were characterized for surface morphology using SEM. The present work shows the recent advances in understanding of structural and chemical variations in boron carbide and their influence on morphology, optical and vibrational property results discussed in details.

  6. Method of synthesizing cubic system boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Yuzu, S.; Sumiya, H.; Degawa, J.

    1987-10-13

    A method is described for synthetically growing cubic system boron nitride crystals by using boron nitride sources, solvents for dissolving the boron nitride sources, and seed crystals under conditions of ultra-high pressure and high temperature for maintaining the cubic system boron nitride stable. The method comprises the following steps: preparing a synthesizing vessel having at least two chambers, arrayed in order in the synthesizing vessel so as to be heated according to a temperature gradient; placing the solvents having different eutectic temperatures in each chamber with respect to the boron nitride sources according to the temperature gradient; placing the boron nitride source in contact with a portion of each of the solvents heated at a relatively higher temperature and placing at least a seed crystal in a portion of each of the solvents heated at a relatively lower temperature; and growing at least one cubic system boron nitride crystal in each of the solvents in the chambers by heating the synthesizing vessel for establishing the temperature gradient while maintaining conditions of ultra-high pressure and high temperature.

  7. Lattice vibrations of the icosahedral solid. alpha. -boron

    Energy Technology Data Exchange (ETDEWEB)

    Beckel, C.L.; Yousaf, M.; Fuka, M.Z.; Raja, S.Y.; Lu, N. (Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico (USA))

    1991-08-01

    Crystalline {alpha}-boron consists of B{sub 12} icosahedra in a rhombohedral lattice of {ital R}{bar 3}{ital m} space-group symmetry. We here carry out a classical force-field analysis of the lattice vibrations. The {bold q}={bold 0} Brillouin-zone vibrations are treated as those of a {ital D}{sub 3{ital d}}-point-group-symmetry B{sub 12} cluster perturbed by intericosahedral crystalline forces; valence-force constants are fitted to account for Raman and ir spectral data. Two-centered intericosahedral bonds are found to be twice as strong as intraicosahedral bonds, while three-centered crystalline bonds are almost as strong as those within a B{sub 12} unit. The highest-frequency Raman line arises from the breathing mode, strongly perturbed by the two-centered interactions. The lowest-observed-frequency Raman line is attributed to B{sub 12} libration. As crystal-force-field strengths are turned up, noncrossing of frequencies is encountered; we, therefore, correlate {alpha}-crystal modes with {ital I}{sub {ital h}} regular-icosahedral and {ital D}{sub 3{ital d}} B{sub 12}-cluster modes through eigenvector expansions. Useful classical predictions are made of ir intensities for wave vector {bold q}={bold 0} modes by considering adjacent bond stretching; a prediction of Raman intensities in terms of bond polarizabilities appears to be of very limited value. The phonon analysis is extended from the Brillouin-zone center to the edges by introducing phase-angle differences along two distinct (one {ital C}{sub 3} and one {ital C}{sub 2}) rotational-symmetry axes. The acoustical-branch wave speeds are predicted to be 1.1{times}10{sup 6} and 0.38{times}10{sup 6} cm/sec for the {ital c}-direction longitudinal and transverse components, respectively.

  8. Synthesis of low carbon boron carbide powder using a minimal time processing route: Thermal plasma

    Directory of Open Access Journals (Sweden)

    Avinna Mishra

    2015-12-01

    Full Text Available Boron carbide powder was synthesized by thermal plasma reduction of boric acid in presence of graphite with a very minimal processing time. Subsequently, the as-synthesized products were leached to minimize the impurities content. Based on the results of X-ray diffraction and Raman spectroscopy, the effect of leaching on phase purity and crystallinity was studied. X-ray photoelectron spectroscopy was performed to identify the chemical composition which highlighted the absence of the BO bonding in the deconvoluted B 1s core-level spectrum. Finally, the temperature dependent thermal conductivity behavior of the leached materials was analyzed and presented.

  9. From Boron Cluster to Two-Dimensional Boron Sheet on Cu(111) Surface: Growth Mechanism and Hole Formation

    OpenAIRE

    Hongsheng Liu; Junfeng Gao; Jijun Zhao

    2013-01-01

    As attractive analogue of graphene, boron monolayers have been theoretically predicted. However, due to electron deficiency of boron atom, synthesizing boron monolayer is very challenging in experiments. Using first-principles calculations, we explore stability and growth mechanism of various boron sheets on Cu(111) substrate. The monotonic decrease of formation energy of boron cluster BN with increasing cluster size and low diffusion barrier for a single B atom on Cu(111) surface ensure cont...

  10. Microstructure and superconducting properties of nanocarbon-doped internal Mg diffusion-processed MgB2 wires fabricated using different boron powders

    Science.gov (United States)

    Xu, Da; Wang, Dongliang; Li, Chen; Yuan, Pusheng; Zhang, Xianping; Yao, Chao; Dong, Chiheng; Huang, He; Ma, Yanwei; Oguro, Hidetoshi; Awaji, Satoshi; Watanabe, Kazuo

    2016-04-01

    MgB2/Nb/Monel monofilament wires were fabricated using four different boron powders by an internal Mg diffusion (IMD) process. The microstructure, morphology and the critical current density (J c) of the used boron powders and the formative MgB2 layers were analyzed and compared. It was found that the purity and particle size of the boron powder influence the superconducting properties of MgB2 wires; further that the optimized heat-treatment condition also depends on the quality of the boron powder. The highest J c was obtained in the MgB2 layer made using amorphous boron (AB) powder, although a certain amount of voids existed in the superconducting layer. The IMD-processed MgB2 layer fabricated using high-purity boron (HB) powder had also a high J c compared with the powder-in-tube (PIT) process and a few unreacted boron particles remained in it. MgB2 wire fabricated using low-purity boron (LB) powder had a high cost-performance ratio compared with the others, which is expected to allow the fabrication of large-scale and low-cost superconducting wires for practical application. However, the enhancement of the J c was not found in the MgB2 layer manufactured using the ball-milled LB (MLB) powder as expected due to the increased percentage of impurity.

  11. Workshop on hydrology of crystalline basement rocks

    Energy Technology Data Exchange (ETDEWEB)

    Davis, S.N. (comp.)

    1981-08-01

    This workshop covered the following subjects: measurements in relatively shallow boreholes; measurement and interpretation of data from deep boreholes; hydrologic properties of crystalline rocks as interpreted by geophysics and field geology; rock mechanics related to hydrology of crystalline rocks; the possible contributions of modeling to the understanding of the hydrology of crystalline rocks; and geochemical interpretations of the hydrology of crystalline rocks. (MHR)

  12. Tribochemical interactions of boron carbides against steel

    Energy Technology Data Exchange (ETDEWEB)

    Gogotsi, Yu.G. (Univ. Karlsruhe, Inst. fuer Keramik im Maschinenbau (Germany)); Koval' chenko, A.M.; Kossko, I.A. (Inst. for Problems of Materials Science, Ukrainian Academy of Sciences, Kiev (Ukraine))

    1992-04-15

    Auger electron spectroscopy and electron microscopy were used to investigate the surface chemistry and tribological properties of boron carbide sliding against steel. It was revealed that the interacting process was accompanied by the diffusion of the ceramic elements into steel and by the oxidation of the steel and ceramic surfaces due to the oxygen presence in the atmosphere. It was established that the oxidation process in air or during friction tests leads to a graphitized layer on the boron carbide surface under the B{sub 2}O{sub 3} film. It was demonstrated that the oxidation caused a decrease in the friction coefficient of boron carbide sliding against steel. (orig.).

  13. Developments in boron magnetic resonance imaging (MRI)

    Energy Technology Data Exchange (ETDEWEB)

    Schweizer, M.

    1995-11-01

    This report summarizes progress during the past year on maturing Boron-11 magnetic resonance imaging (MRI) methodology for noninvasive determination of BNCT agents (BSH) spatially in time. Three major areas are excerpted: (1) Boron-11 MRI of BSH distributions in a canine intracranial tumor model and the first human glioblastoma patient, (2) whole body Boron-11 MRI of BSH pharmacokinetics in a rat flank tumor model, and (3) penetration of gadolinium salts through the BBB as a function of tumor growth in the canine brain.

  14. Nanostructures having crystalline and amorphous phases

    Science.gov (United States)

    Mao, Samuel S; Chen, Xiaobo

    2015-04-28

    The present invention includes a nanostructure, a method of making thereof, and a method of photocatalysis. In one embodiment, the nanostructure includes a crystalline phase and an amorphous phase in contact with the crystalline phase. Each of the crystalline and amorphous phases has at least one dimension on a nanometer scale. In another embodiment, the nanostructure includes a nanoparticle comprising a crystalline phase and an amorphous phase. The amorphous phase is in a selected amount. In another embodiment, the nanostructure includes crystalline titanium dioxide and amorphous titanium dioxide in contact with the crystalline titanium dioxide. Each of the crystalline and amorphous titanium dioxide has at least one dimension on a nanometer scale.

  15. Characterization of boron tolerant bacteria isolated from a fly ash dumping site for bacterial boron remediation.

    Science.gov (United States)

    Edward Raja, Chellaiah; Omine, Kiyoshi

    2013-08-01

    Boron is an essential micronutrient for plants, but can above certain concentrations be toxic to living organisms. A major environmental concern is the removal of boron from contaminated water and fly ash. For this purpose, the samples were collected from a fly ash dumping site, Nagasaki prefecture, Japan. The chemical characteristics and heavy metal concentration of the samples were performed by X-ray fluorescent analysis and leaching test. For bacterial analysis, samples were collected in sterile plastic sheets and isolation was carried out by serial dilution method. The boron tolerant isolates that showed values of maximum inhibitory concentration toward boron ranging from 100 to 260 mM level were screened. Based on 16S rRNA sequencing and phylogenetic analysis, the isolates were most closely related to the genera Bacillus, Lysinibacillus, Microbacterium and Ralstonia. The boron tolerance of these strains was also associated with resistant to several heavy metals, such as As (III), Cr (VI), Cd, Cu, Pb, Ni, Se (III) and Zn. Indeed, these strains were arsenic oxidizing bacteria confirmed by silver nitrate test. These strains exhibited their salt resistances ranging from 4 to 15 % were determined in Trypticase soy agar medium. The boron tolerant strains were capable of removing 0.1-2.0 and 2.7-3.7 mg l(-1) boron from the medium and fly ash at 168 h. Thus, we have successfully identified the boron tolerant and removal bacteria from a fly ash dumping site for boron remediation.

  16. Iron-boron pairing kinetics in illuminated p-type and in boron/phosphorus co-doped n-type silicon

    Energy Technology Data Exchange (ETDEWEB)

    Möller, Christian, E-mail: cmoeller@cismst.de [CiS Forschungsinstitut für Mikrosensorik und Photovoltaik GmbH, Konrad-Zuse-Str. 14, 99099 Erfurt (Germany); TU Ilmenau, Institut für Physik, Weimarer Str. 32, 98693 Ilmenau (Germany); Bartel, Til; Gibaja, Fabien [Calisolar GmbH, Magnusstraße 11, 12489 Berlin (Germany); Lauer, Kevin [CiS Forschungsinstitut für Mikrosensorik und Photovoltaik GmbH, Konrad-Zuse-Str. 14, 99099 Erfurt (Germany)

    2014-07-14

    Iron-boron (FeB) pairing is observed in the n-type region of a boron and phosphorus co-doped silicon sample which is unexpected from the FeB pair model of Kimerling and Benton. To explain the experimental data, the existing FeB pair model is extended by taking into account the electronic capture and emission rates at the interstitial iron (Fe{sub i}) trap level as a function of the charge carrier densities. According to this model, the charge state of the Fe{sub i} may be charged in n-type making FeB association possible. Further, FeB pair formation during illumination in p-type silicon is investigated. This permits the determination of the charge carrier density dependent FeB dissociation rate and in consequence allows to determine the acceptor concentration in the co-doped n-type silicon by lifetime measurement.

  17. Crystalline 'Genes' in Metallic Liquids

    CERN Document Server

    Sun, Yang; Ye, Zhuo; Fang, Xiaowei; Ding, Zejun; Wang, Cai-Zhuang; Mendelev, Mikhail I; Ott, Ryan T; Kramer, M J; Ho, Kai-Ming

    2014-01-01

    The underlying structural order that transcends the liquid, glass and crystalline states is identified using an efficient genetic algorithm (GA). GA identifies the most common energetically favorable packing motif in crystalline structures close to the alloy's Al-10 at.% Sm composition. These motifs are in turn compared to the observed packing motifs in the actual liquid structures using a cluster-alignment method which reveals the average topology. Conventional descriptions of the short-range order, such as Voronoi tessellation, are too rigid in their analysis of the configurational poly-types when describing the chemical and topological ordering during transition from undercooled metallic liquids to crystalline phases or glass. Our approach here brings new insight into describing mesoscopic order-disorder transitions in condensed matter physics.

  18. Preparation and characterization of the crystalline inclusion complexes between cyclodextrins and poly(1,3-dioxolane)

    Institute of Scientific and Technical Information of China (English)

    李景烨; 颜德岳; 陈群

    2002-01-01

    The preparation and characterization of the crystalline inclusion complexes between a polymeric guest, poly(1,3-dioxolane) (PDXL), and small-molecular hosts, cyclodextrins (CDs) are reported. It is observed that the polymer guest can form crystalline inclusion complexes with three kinds of cyclodextrins, which may be attributed to the high oxygen atom density in PDXL chain. The crystalline inclusion complexes were characterized with FTIR , TGA, X-ray diffraction, SEM, 1H NMR and 13C CP/MAS NMR spectroscopes. It was found that the crystalline inclusion complexes have higher temperature stability than the pure CDs. The X-ray powder diffraction patterns of the crystalline inclusion complexes proved that they have columnar structures. 13C CP/MAS NMR spectra of the crystalline inclusion complexes indicate that CDs adopt a more symmetrical conformation in the complexes, while pure CDs assume a less symmetrical conformation in the crystal without a guest inside their cavities. The morphology of the crystal was

  19. Advancements in n-Type Base Crystalline Silicon Solar Cells and Their Emergence in the Photovoltaic Industry

    Directory of Open Access Journals (Sweden)

    Atteq ur Rehman

    2013-01-01

    Full Text Available The p-type crystalline silicon wafers have occupied most of the solar cell market today. However, modules made with n-type crystalline silicon wafers are actually the most efficient modules up to date. This is because the material properties offered by n-type crystalline silicon substrates are suitable for higher efficiencies. Properties such as the absence of boron-oxygen related defects and a greater tolerance to key metal impurities by n-type crystalline silicon substrates are major factors that underline the efficiency of n-type crystalline silicon wafer modules. The bi-facial design of n-type cells with good rear-side electronic and optical properties on an industrial scale can be shaped as well. Furthermore, the development in the industrialization of solar cell designs based on n-type crystalline silicon substrates also highlights its boost in the contributions to the photovoltaic industry. In this paper, a review of various solar cell structures that can be realized on n-type crystalline silicon substrates will be given. Moreover, the current standing of solar cell technology based on n-type substrates and its contribution in photovoltaic industry will also be discussed.

  20. Advancements in n-type base crystalline silicon solar cells and their emergence in the photovoltaic industry.

    Science.gov (United States)

    ur Rehman, Atteq; Lee, Soo Hong

    2013-01-01

    The p-type crystalline silicon wafers have occupied most of the solar cell market today. However, modules made with n-type crystalline silicon wafers are actually the most efficient modules up to date. This is because the material properties offered by n-type crystalline silicon substrates are suitable for higher efficiencies. Properties such as the absence of boron-oxygen related defects and a greater tolerance to key metal impurities by n-type crystalline silicon substrates are major factors that underline the efficiency of n-type crystalline silicon wafer modules. The bi-facial design of n-type cells with good rear-side electronic and optical properties on an industrial scale can be shaped as well. Furthermore, the development in the industrialization of solar cell designs based on n-type crystalline silicon substrates also highlights its boost in the contributions to the photovoltaic industry. In this paper, a review of various solar cell structures that can be realized on n-type crystalline silicon substrates will be given. Moreover, the current standing of solar cell technology based on n-type substrates and its contribution in photovoltaic industry will also be discussed.

  1. Advancements in n-Type Base Crystalline Silicon Solar Cells and Their Emergence in the Photovoltaic Industry

    Science.gov (United States)

    ur Rehman, Atteq; Lee, Soo Hong

    2013-01-01

    The p-type crystalline silicon wafers have occupied most of the solar cell market today. However, modules made with n-type crystalline silicon wafers are actually the most efficient modules up to date. This is because the material properties offered by n-type crystalline silicon substrates are suitable for higher efficiencies. Properties such as the absence of boron-oxygen related defects and a greater tolerance to key metal impurities by n-type crystalline silicon substrates are major factors that underline the efficiency of n-type crystalline silicon wafer modules. The bi-facial design of n-type cells with good rear-side electronic and optical properties on an industrial scale can be shaped as well. Furthermore, the development in the industrialization of solar cell designs based on n-type crystalline silicon substrates also highlights its boost in the contributions to the photovoltaic industry. In this paper, a review of various solar cell structures that can be realized on n-type crystalline silicon substrates will be given. Moreover, the current standing of solar cell technology based on n-type substrates and its contribution in photovoltaic industry will also be discussed. PMID:24459433

  2. Current enhancement in crystalline silicon photovoltaic by low-cost nickel silicide back contact

    KAUST Repository

    Bahabry, R. R.

    2016-11-30

    We report short circuit current (Jsc) enhancement in crystalline silicon (C-Si) photovoltaic (PV) using low-cost Ohmic contact engineering by integration of Nickel mono-silicide (NiSi) for back contact metallization as an alternative to the status quo of using expensive screen printed silver (Ag). We show 2.6 mA/cm2 enhancement in the short circuit current (Jsc) and 1.2 % increment in the efficiency by improving the current collection due to the low specific contact resistance of the NiSi on the heavily Boron (B) doped Silicon (Si) interface.

  3. Boron-10 loaded inorganic shielding material

    Science.gov (United States)

    Baker, S. I.; Ryskiewicz, R. S.

    1972-01-01

    Shielding material containing Boron 10 and gadoliunium for neutron absorption has been developed to reduce interference from low energy neutrons in measurement of fission neutron spectrum using Li-6 fast neutron spectrometer.

  4. Catalytic Asymmetric Synthesis of Phosphine Boronates

    NARCIS (Netherlands)

    Hornillos, Valentin; Vila, Carlos; Otten, Edwin; Feringa, Ben L.

    2015-01-01

    The first catalytic enantioselective synthesis of ambiphilic phosphine boronate esters is presented. The asymmetric boration of ,-unsaturated phosphine oxides catalyzed by a copper bisphosphine complex affords optically active organoboronate esters that bear a vicinal phosphine oxide group in good y

  5. Boron-Filled Hybrid Carbon Nanotubes

    Science.gov (United States)

    Patel, Rajen B.; Chou, Tsengming; Kanwal, Alokik; Apigo, David J.; Lefebvre, Joseph; Owens, Frank; Iqbal, Zafar

    2016-07-01

    A unique nanoheterostructure, a boron-filled hybrid carbon nanotube (BHCNT), has been synthesized using a one-step chemical vapor deposition process. The BHCNTs can be considered to be a novel form of boron carbide consisting of boron doped, distorted multiwalled carbon nanotubes (MWCNTs) encapsulating boron nanowires. These MWCNTs were found to be insulating in spite of their graphitic layered outer structures. While conventional MWCNTs have great axial strength, they have weak radial compressive strength, and do not bond well to one another or to other materials. In contrast, BHCNTs are shown to be up to 31% stiffer and 233% stronger than conventional MWCNTs in radial compression and have excellent mechanical properties at elevated temperatures. The corrugated surface of BHCNTs enables them to bond easily to themselves and other materials, in contrast to carbon nanotubes (CNTs). BHCNTs can, therefore, be used to make nanocomposites, nanopaper sheets, and bundles that are stronger than those made with CNTs.

  6. Spectromicroscopy in Boron Neutron Capture Therapy Research

    Science.gov (United States)

    Gilbert, Benjamin; Redondo, Jose; Andres, Roger; Suda, Takashi; Neumann, Michael; Steen, Steffi; Gabel, Detlef; Mercanti, Delio; Ciotti, Teresa; Perfetti, Paolo; Margaritondo, Giorgio; de Stasio, Gelsomina

    1998-03-01

    The MEPHISTO synchrotron imaging spectromicroscope can analyse ashed cells or tissue sections to reveal the microdistribution of trace elements. MEPHISTO performs core level x-ray absorption spectroscopy with synchrotron radiation, and uses an electron optics system to provide magnified photoelectron images. An application of the MEPHISTO spectromicroscope is in boron neutron capture therapy (BNCT). BNCT is a binary cancer therapy that will selectively destroy cancer cells provided that compounds containing a boron isotope are selectively accumulated in tumor tissue. Important factors for the success of BNCT include the ability to target every cancer cell, and the distribution of boron inside the cell. To investigate the boron distribution in tissue, sections of human glioblastoma containing a BNCT compound, and stained with nickel against a protein found in the nuclei of proliferating (cancer) cells, were studied with MEPHISTO.

  7. Boron-Filled Hybrid Carbon Nanotubes

    Science.gov (United States)

    Patel, Rajen B.; Chou, Tsengming; Kanwal, Alokik; Apigo, David J.; Lefebvre, Joseph; Owens, Frank; Iqbal, Zafar

    2016-01-01

    A unique nanoheterostructure, a boron-filled hybrid carbon nanotube (BHCNT), has been synthesized using a one-step chemical vapor deposition process. The BHCNTs can be considered to be a novel form of boron carbide consisting of boron doped, distorted multiwalled carbon nanotubes (MWCNTs) encapsulating boron nanowires. These MWCNTs were found to be insulating in spite of their graphitic layered outer structures. While conventional MWCNTs have great axial strength, they have weak radial compressive strength, and do not bond well to one another or to other materials. In contrast, BHCNTs are shown to be up to 31% stiffer and 233% stronger than conventional MWCNTs in radial compression and have excellent mechanical properties at elevated temperatures. The corrugated surface of BHCNTs enables them to bond easily to themselves and other materials, in contrast to carbon nanotubes (CNTs). BHCNTs can, therefore, be used to make nanocomposites, nanopaper sheets, and bundles that are stronger than those made with CNTs. PMID:27460526

  8. Synthesis of Boron-Containing Primary Amines

    Directory of Open Access Journals (Sweden)

    Sheng-Hsuan Chung

    2013-10-01

    Full Text Available In this study, boron-containing primary amines were synthesized for use as building blocks in the study of peptoids. In the first step, Gabriel synthesis conditions were modified to enable the construction of seven different aminomethylphenyl boronate esters in good to excellent yields. These compounds were further utilized to build peptoid analogs via an Ugi four-component reaction (Ugi-4CR under microwave irradiation. The prepared Ugi-4CR boronate esters were then successfully converted to the corresponding boronic acids. Finally, the peptoid structures were successfully modified by cross-coupling to aryl/heteroaryl chlorides via a palladium-mediated Suzuki coupling reaction to yield the corresponding derivatives in moderate to good yields.

  9. Boron toxicity in oil palm (Elaeis guineensis)

    Energy Technology Data Exchange (ETDEWEB)

    Rajaratnam, J.A.

    1973-01-01

    Potted oil palms were treated with fertilizer of borate-46 at several concentrations and the plants were observed for boron toxicity effects. Toxicity symptoms were apparent at high rates but not at rates equivalent to typical Malaysian soils.

  10. Positronium diffusion in crystalline polyethylene

    Energy Technology Data Exchange (ETDEWEB)

    Serna, J. (Dept. de Fisica de Materiales, Univ. Complutense, Madrid (Spain))

    1990-12-16

    The analysis in four components of the positron lifetime spectra of nine different and structurally well characterised lamellar polyethylene samples has allowed to associate the two longest-lived components to positronium annihilation in the crystalline and amorphous phases. Further assumption on positronium tunneling through the interface between both phases, and a simple geometrical model, led to a value for the positronium diffusion coefficient in the crystalline phase of the order of 10{sup -4} cm{sup 2}/s. Interfaces have thicknesses around 1.5 nm and are shallow traps for positronium. (orig.).

  11. Single crystalline mesoporous silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Hochbaum, A.I.; Gargas, Daniel; Jeong Hwang, Yun; Yang, Peidong

    2009-08-04

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. These porous nanowires also retain the crystallographic orientation of the wafer from which they are etched. Electron microscopy and diffraction confirm their single-crystallinity and reveal the silicon surrounding the pores is as thin as several nanometers. Confocal fluorescence microscopy showed that the photoluminescence (PL) of these arrays emanate from the nanowires themselves, and their PL spectrum suggests that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices.

  12. Single crystalline mesoporous silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Hochbaum, Allon; Dargas, Daniel; Hwang, Yun Jeong; Yang, Peidong

    2009-08-18

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. The photoluminescence of these nanowires suggest they are composed of crystalline silicon with small enough dimensions such that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices. A better understanding of this electroless route to mesoporous silicon could lead to facile and general syntheses of different narrow bandgap semiconductor nanostructures for various applications.

  13. Combustion Behavior of Free Boron Slurry Droplets,

    Science.gov (United States)

    2014-09-26

    weak disruptive behavior while pure JP-1t burn quiescently, except for a flash extinction which occurs at the termination of combustion. The...I AD-R158 628 COMBUSTION BEHAVIOR OF FREE BORON SLURRY DROPLETS(U) i/i I PRINCETON UNIV NJ DEPT OF MECHANICAL AND AEROSPACE ENINEERIN., F TAKAHASHI...COMBUSTION BEHAVIOR OF FREE BORON SLURRY DROPLETS TAM by F. Takahashi, F.L. Dryer, and F.A. Williams Department of M~echanical and keyosase Engineering

  14. Ring Enlargement of Three-Membered Boron Heterocycles upon Reaction with Organic π Systems: Implications for the Trapping of Borylenes.

    Science.gov (United States)

    Krasowska, Małgorzata; Bettinger, Holger F

    2016-07-18

    New low-energy pathways for the reaction between substituted boriranes and borirenes with unsaturated hydrocarbons (ethyne or ethene) were discovered using density functional and coupled cluster theory. The interaction between the π bond of the hydrocarbon and the empty p orbital of the boron center leads to ring expansion of the three-membered to a five-membered boron heterocycle. The reactions are strongly exothermic and have low or even no barriers. They involve intermediates with a pentacoordinate boron center with two hydrocarbon molecules coordinating to boron akin to metal-olefin complexes. These borylene complexes are shallow minima on the potential energy surfaces. But significantly higher barriers for ring formation are computed for 1,5-cyclooctadiene and dibenzocyclooctatetraene complexes of borylenes, making these complexes likely detectable under appropriate experimental conditions. Our computational findings have implications for the interpretation of trapping experiments of thermally generated small borylenes with excess of small π systems. Because of very low barriers for reactions of three-membered boron heterocycles with π systems and the at least locally large excess of the latter under such conditions, formation of five-membered boron heterocycles should be considered.

  15. Effects of boron doping in TiO2 nanotubes and the performance of dye-sensitized solar cells

    Science.gov (United States)

    Subramanian, Alagesan; Wang, Hong-Wen

    2012-06-01

    Titanium nanotubes doped with boron used as the photoelectrode for dye-sensitized solar cells were investigated. The materials were characterized by SEM, XRD, and UV-vis spectroscopy and their photoconversion efficiencies were evaluated. The chemical compositions of TiO2 nanotubes (TNA) and boron doped TNA (B-TNA) were identified by the energy dispersive X-ray spectroscopy (EDS). XRD evidenced the presence of anatase as the main phase and presented the existence of boron elements at interstitial sites between the TiO2 lattices. The UV-vis spectra indicated the narrowing of band gap upon doping boron into titanium nanotubes. The photovoltaic properties were measured by a current-voltage meter under AM1.5 simulated light radiation. The boron-doped TiO2 nanotube arrays showed an enhanced performance with a photocurrent density of 7.85 ± 0.20 mA/cm2 and an overall conversion efficiency (η) of 3.44 ± 0.10%. The enhanced performance was attributed to the enhanced electron injection rate and retardation of the charge recombination, which could be due to perfect matching between the LUMO of dye molecules and the conduction band of TiO2. Electrochemical impedance spectroscopy (EIS) measurement indicated the longer electron lifetime and reduced TiO2/dye/electrolyte interface resistance for boron doped TiO2 nanotubes than that of undoped TiO2 nanotubes.

  16. Rectifying Properties of a Nitrogen/Boron-Doped Capped-Carbon-Nanotube-Based Molecular Junction

    Institute of Scientific and Technical Information of China (English)

    ZHAO Peng; LIU De-Sheng; ZHANG Ying; WANG Pei-Ji; ZHANG Zhong

    2011-01-01

    @@ Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbonnanotube-based molecular junction.Obvious rectifying behavior is observed and it is strongly dependent on the doping site.The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer.Moreover, the rectifying performance can be further improved by adjusting the distance between the Cso nanotube caps.%Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbon-nanotube-based molecular junction. Obvious rectifying behavior is observed and it is strongly dependent on the doping site. The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer. Moreover, the rectifying performance can be further improved by adjusting the distance between the C60 nanotube caps.

  17. Used Fuel Disposal in Crystalline Rocks. FY15 Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yifeng [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-08-20

    The objective of the Crystalline Disposal R&D Work Package is to advance our understanding of long-term disposal of used fuel in crystalline rocks and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media. Chapter headings are as follows: Fuel matrix degradation model and its integration with performance assessments, Investigation of thermal effects on the chemical behavior of clays, Investigation of uranium diffusion and retardation in bentonite, Long-term diffusion of U(VI) in bentonite: dependence on density, Sorption and desorption of plutonium by bentonite, Dissolution of plutonium intrinsic colloids in the presence of clay and as a function of temperature, Laboratory investigation of colloid-facilitated transport of cesium by bentonite colloids in a crystalline rock system, Development and demonstration of discrete fracture network model, Fracture continuum model and its comparison with discrete fracture network model.

  18. Delineation of Crystalline Extended Defects on Multicrystalline Silicon Wafers

    Directory of Open Access Journals (Sweden)

    Mohamed Fathi

    2007-01-01

    Full Text Available We have selected Secco and Yang etch solutions for the crystalline defect delineation on multicrystalline silicon (mc-Si wafers. Following experimentations and optimization of Yang and Secco etching process parameters, we have successfully revealed crystalline extended defects on mc-Si surfaces. A specific delineation process with successive application of Yang and Secco agent on the same sample has proved the increased sensitivity of Secco etch to crystalline extended defects in mc-Si materials. The exploration of delineated mc-Si surfaces indicated that strong dislocation densities are localized mainly close to the grain boundaries and on the level of small grains in size (below 1 mm. Locally, we have observed the formation of several parallel dislocation lines, perpendicular to the grain boundaries. The overlapping of several dislocations lines has revealed particular forms for etched pits of dislocations.

  19. Nonlinear laser pulse response in a crystalline lens.

    Science.gov (United States)

    Sharma, R P; Gupta, Pradeep Kumar; Singh, Ram Kishor; Strickland, D

    2016-04-01

    The propagation characteristics of a spatial Gaussian laser pulse have been studied inside a gradient-index structured crystalline lens with constant-density plasma generated by the laser-tissue interaction. The propagation of the laser pulse is affected by the nonlinearities introduced by the generated plasma inside the crystalline lens. Owing to the movement of plasma species from a higher- to a lower-temperature region, an increase in the refractive index occurs that causes the focusing of the laser pulse. In this study, extended paraxial approximation has been applied to take into account the evolution of the radial profile of the Gaussian laser pulse. To examine the propagation characteristics, variation of the beam width parameter has been observed as a function of the laser power and initial beam radius. The cavitation bubble formation, which plays an important role in the restoration of the elasticity of the crystalline lens, has been investigated.

  20. A single crystalline InP nanowire photodetector

    Science.gov (United States)

    Yan, Xin; Li, Bang; Wu, Yao; Zhang, Xia; Ren, Xiaomin

    2016-08-01

    Single crystalline nanowires are critical for achieving high-responsivity, high-speed, and low-noise nanoscale photodetectors. Here, we report a metal-semiconductor-metal photodetector based on a single crystalline InP nanowire. The nanowires are grown by a self-catalyzed method and exhibit stacking-fault-free zinc blende crystal structure. The nanowire exhibits a typical n-type semiconductor property and shows a low room temperature dark current of several hundred pA at moderate biases. A photoresponsivity of 6.8 A/W is obtained at a laser power density of 0.2 mW/cm2. This work demonstrates that single crystalline InP nanowires are good candidates for future optoelectronic device applications.

  1. Explorations of Crystalline Effects on 4-(Benzyloxy)Benzaldehyde Properties

    Science.gov (United States)

    Harismah, Kun; Ozkendir, O. Murat; Mirzaei, Mahmoud

    2015-12-01

    The properties of 4-(benzyloxy)benzaldehyde (BBA), as a pharmaceutically important compound, have been investigated through the density functional theory (DFT) calculations. The properties of original crystalline and optimised gaseous structures have been evaluated to recognise the crystalline effects. In addition to the structural properties, nuclear magnetic resonance (NMR) properties have also been evaluated for both investigated systems to better detect the effects in atomic levels. The results indicated that the structural shape of BBA is significantly changed in the optimised gaseous system, showing significant crystalline effects on the geometrical positions. Moreover, the magnitudes for energies and dipole moments indicate notable effects on the electronic properties. The evaluated NMR properties also show that the atoms of aromatic systems detect significant changes more than the atoms of aliphatic systems in the investigated BBA. And finally, the oxygen bridge atom plays a dominant role in combining two benzene rings of BBA.

  2. Correlating Physicochemical Properties of Boronic Acid-Chitosan Conjugates to Glucose Adsorption Sensitivity

    Directory of Open Access Journals (Sweden)

    Nashiru Billa

    2012-12-01

    Full Text Available Phenyl boronic acid (PBA, which is known to interact with glucose, was covalently bonded to chitosan by direct reductive N-alkylation of chitosan with 4-formylphenylboronic acid (4-FPBA. Evidence of PBA bonding on chitosan was assessed by FTIR, ToF-SIMS, SEM, DSC and glucose adsorption sensitivity measurements. FTIR spectra showed strong signals at 1560 and 630 cm−1 indicating the formation of p-substituted benzene. Similarly, ToF-SIMS analyses on the conjugates registered fragments of boron ion (B− at 11.0 m/z whose intensity increased in proportion to 4-FPBA loading. The degree to which PBA was bonded to chitosan was related to the 4-FPBA load used in the reaction (termed F1 through to F6 with increasing 4-FPBA load. Glucose adsorption sensitivity to PBA-bonded chitosan was directly related to the amount of PBA functionality within the conjugates and the physical nature of the matrices (porous or crystalline. Topographic analysis by SEM revealed that PBA-chitosan conjugates F1, F2 and F3 have porous matrices and their sensitivity to glucose adsorption was directly proportional to the degree of PBA substitution onto chitosan. Conversely, conjugates F4, F5 and F6 appeared crystalline under SEM and glucose adsorption sensitivity decreased in proportion to amount of PBA bonded to chitosan. The crystalline nature of the conjugates was confirmed by DSC, where the exothermic event related to the melting of the bonded PBA moiety, occurred at 338 °C. Thus, decreased sensitivity to glucose adsorption by the conjugates can be ascribed to the crystallinity imparted by increased content of the bonded PBA moiety, providing an optimal loading of PBA in terms of maximizing response to glucose.

  3. Innovative boron nitride-doped propellants

    Directory of Open Access Journals (Sweden)

    Thelma Manning

    2016-04-01

    Full Text Available The U.S. military has a need for more powerful propellants with balanced/stoichiometric amounts of fuel and oxidants. However, balanced and more powerful propellants lead to accelerated gun barrel erosion and markedly shortened useful barrel life. Boron nitride (BN is an interesting potential additive for propellants that could reduce gun wear effects in advanced propellants (US patent pending 2015-026P. Hexagonal boron nitride is a good lubricant that can provide wear resistance and lower flame temperatures for gun barrels. Further, boron can dope steel, which drastically improves its strength and wear resistance, and can block the formation of softer carbides. A scalable synthesis method for producing boron nitride nano-particles that can be readily dispersed into propellants has been developed. Even dispersion of the nano-particles in a double-base propellant has been demonstrated using a solvent-based processing approach. Stability of a composite propellant with the BN additive was verified. In this paper, results from propellant testing of boron nitride nano-composite propellants are presented, including closed bomb and wear and erosion testing. Detailed characterization of the erosion tester substrates before and after firing was obtained by electron microscopy, inductively coupled plasma and x-ray photoelectron spectroscopy. This promising boron nitride additive shows the ability to improve gun wear and erosion resistance without any destabilizing effects to the propellant. Potential applications could include less erosive propellants in propellant ammunition for large, medium and small diameter fire arms.

  4. Innovative boron nitride-doped propellants

    Institute of Scientific and Technical Information of China (English)

    Thelma MANNING; Henry GRAU; Paul MATTER; Michael BEACHY; Christopher HOLT; Samuel SOPOK; Richard FIELD; Kenneth KLINGAMAN; Michael FAIR; John BOLOGNINI; Robin CROWNOVER; Carlton P. ADAM; Viral PANCHAL; Eugene ROZUMOV

    2016-01-01

    The U.S. military has a need for more powerful propellants with balanced/stoichiometric amounts of fuel and oxidants. However, balanced and more powerful propellants lead to accelerated gun barrel erosion and markedly shortened useful barrel life. Boron nitride (BN) is an interesting potential additive for propellants that could reduce gun wear effects in advanced propellants (US patent pending 2015-026P). Hexagonal boron nitride is a good lubricant that can provide wear resistance and lower flame temperatures for gun barrels. Further, boron can dope steel, which drastically improves its strength and wear resistance, and can block the formation of softer carbides. A scalable synthesis method for producing boron nitride nano-particles that can be readily dispersed into propellants has been developed. Even dispersion of the nano-particles in a double-base propellant has been demonstrated using a solvent-based processing approach. Stability of a composite propellant with the BN additive was verified. In this paper, results from propellant testing of boron nitride nano-composite propellants are presented, including closed bomb and wear and erosion testing. Detailed characterization of the erosion tester substrates before and after firing was obtained by electron microscopy, inductively coupled plasma and x-ray photoelectron spectroscopy. This promising boron nitride additive shows the ability to improve gun wear and erosion resistance without any destabilizing effects to the propellant. Potential applications could include less erosive propellants in propellant ammunition for large, medium and small diameter fire arms.

  5. Electronic phases of substances. Phase transitions with change of electron and crystalline structure

    Directory of Open Access Journals (Sweden)

    Nadykto Boris

    2015-01-01

    Full Text Available There is plenty of experimental data on high-pressure phase transformations in various materials. Variations in materials characteristics (for example, equilibrium density and bulk modulus, while the crystalline structure remains unchanged, are indicative of energy variations in outer-shell electrons of solid atoms. In experiments with crystalline structure variations, the dependence of pressure on density in some cases can be described by the same curve, the parameters of which are independent of the crystalline structure. Examples of such transformations in some materials at static compression and in shock-wave experiments are given.

  6. Structure and energetics of nanotwins in cubic boron nitrides

    Science.gov (United States)

    Zheng, Shijian; Zhang, Ruifeng; Huang, Rong; Taniguchi, Takashi; Ma, Xiuliang; Ikuhara, Yuichi; Beyerlein, Irene J.

    2016-08-01

    Recently, nanotwinned cubic boron nitrides (NT c-BN) have demonstrated extraordinary leaps in hardness. However, an understanding of the underlying mechanisms that enable nanotwins to give orders of magnitude increases in material hardness is still lacking. Here, using transmission electron microscopy, we report that the defect density of twin boundaries depends on nanotwin thickness, becoming defect-free, and hence more stable, as it decreases below 5 nm. Using ab initio density functional theory calculations, we reveal that the Shockley partials, which may dominate plastic deformation in c-BNs, show a high energetic barrier. We also report that the c-BN twin boundary has an asymmetrically charged electronic structure that would resist migration of the twin boundary under stress. These results provide important insight into possible nanotwin hardening mechanisms in c-BN, as well as how to design these nanostructured materials to reach their full potential in hardness and strength.

  7. Microalloying Boron Carbide with Silicon to Achieve Dramatically Improved Ductility.

    Science.gov (United States)

    An, Qi; Goddard, William A

    2014-12-01

    Boron carbide (B4C) is a hard material whose value for extended engineering applications such as body armor; is limited by its brittleness under impact. To improve the ductility while retaining hardness, we used density functional theory to examine modifying B4C ductility through microalloying. We found that replacing the CBC chain in B4C with Si-Si, denoted as (B11Cp)-Si2, dramatically improves the ductility, allowing a continuous shear to a large strain of 0.802 (about twice of B4C failure strain) without brittle failure. Moreover, (B11C)-Si2 retains low density and high hardness. This ductility improvement arises because the Si-Si linkages enable the icosahedra accommodate additional shear by rotating instead of breaking bonds.

  8. Piezoelectricity in planar boron nitride via a geometric phase

    Science.gov (United States)

    Droth, Matthias; Burkard, Guido; Pereira, Vitor M.

    2016-08-01

    Due to their low surface mass density, two-dimensional materials with a strong piezoelectric response are interesting for nanoelectromechanical systems with high force sensitivity. Unlike graphene, the two sublattices in a monolayer of hexagonal boron nitride (hBN) are occupied by different elements, which breaks inversion symmetry and allows for piezoelectricity. This has been confirmed with density functional theory calculations of the piezoelectric constant of hBN. Here, we formulate an entirely analytical derivation of the electronic contribution to the piezoelectric response in this system based on the concepts of strain-induced pseudomagnetic vector potential and the modern theory of polarization that relates the polar moment to the Berry curvature. Our findings agree with the symmetry restrictions expected for the hBN lattice and reproduce well the magnitude of the piezoelectric effect previously obtained ab initio.

  9. Fabrication of hexagonal boron nitride based ceramics by combustion synthesis

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Pure h-BN (hexagonal boron nitride) and h-BN based ceramic parts were fabricated by combustion synthesis technique, i.e. self-propagating high-temperature synthesis (SHS). Components were manufactured by the combustion reaction of 80  MPa nitrogen and the compact made by cool isostatic pressing. In h-BN based ceramic parts, h-BN powder was used as diluent and SiO2 powder as reinforcing phase. The density of pure h-BN and h-BN-based ceramic parts were 58% and 78% of theoretical density, respectively. With XRD and SEM, phases and microstructures of ceramic parts were analyzed. Mechanical properties were also tested.

  10. Structure and energetics of nanotwins in cubic boron nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Shijian, E-mail: sjzheng@imr.ac.cn, E-mail: zrf@buaa.edu.cn; Ma, Xiuliang [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Zhang, Ruifeng, E-mail: sjzheng@imr.ac.cn, E-mail: zrf@buaa.edu.cn [School of Materials Science and Engineering, and International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191 (China); Huang, Rong [Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200062 (China); Taniguchi, Takashi [National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Ikuhara, Yuichi [Nanostructures Research Laboratory, Japan Fine Ceramics Center, Nagoya 456-8587 (Japan); Institute of Engineering Innovation, The University of Tokyo, Tokyo 113-8656 (Japan); Beyerlein, Irene J. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2016-08-22

    Recently, nanotwinned cubic boron nitrides (NT c-BN) have demonstrated extraordinary leaps in hardness. However, an understanding of the underlying mechanisms that enable nanotwins to give orders of magnitude increases in material hardness is still lacking. Here, using transmission electron microscopy, we report that the defect density of twin boundaries depends on nanotwin thickness, becoming defect-free, and hence more stable, as it decreases below 5 nm. Using ab initio density functional theory calculations, we reveal that the Shockley partials, which may dominate plastic deformation in c-BNs, show a high energetic barrier. We also report that the c-BN twin boundary has an asymmetrically charged electronic structure that would resist migration of the twin boundary under stress. These results provide important insight into possible nanotwin hardening mechanisms in c-BN, as well as how to design these nanostructured materials to reach their full potential in hardness and strength.

  11. Junctions between a boron nitride nanotube and a boron nitride sheet.

    Science.gov (United States)

    Baowan, Duangkamon; Cox, Barry J; Hill, James M

    2008-02-20

    For future nanoelectromechanical signalling devices, it is vital to understand how to connect various nanostructures. Since boron nitride nanostructures are believed to be good electronic materials, in this paper we elucidate the classification of defect geometries for combining boron nitride structures. Specifically, we determine possible joining structures between a boron nitride nanotube and a flat sheet of hexagonal boron nitride. Firstly, we determine the appropriate defect configurations on which the tube can be connected, given that the energetically favourable rings for boron nitride structures are rings with an even number of sides. A new formula E = 6+2J relating the number of edges E and the number of joining positions J is established for each defect, and the number of possible distinct defects is related to the so-called necklace and bracelet problems of combinatorial theory. Two least squares approaches, which involve variation in bond length and variation in bond angle, are employed to determine the perpendicular connection of both zigzag and armchair boron nitride nanotubes with a boron nitride sheet. Here, three boron nitride tubes, which are (3, 3), (6, 0) and (9, 0) tubes, are joined with the sheet, and Euler's theorem is used to verify geometrically that the connected structures are sound, and their relationship with the bonded potential energy function approach is discussed. For zigzag tubes (n,0), it is proved that such connections investigated here are possible only for n divisible by 3.

  12. The effect of boron deficiency on gene expression and boron compartmentalization in sugarbeet

    Science.gov (United States)

    NIP5, BOR1, NIP6, and WRKY6 genes were investigated for their role in boron deficiency in sugar beet, each with a proposed role in boron use in model plant species. All genes showed evidence of polymorphism in fragment size and gene expression in the target genomic DNA and cDNA libraries, with no co...

  13. Proceedings of workshop on 'boron science and boron neutron capture therapy'

    Energy Technology Data Exchange (ETDEWEB)

    Kitaoka, Y. [ed.

    1998-12-01

    This volume contains the abstracts and programs of the 8th (1996), 9th (1997) and 10th (1998) of the workshop on 'the Boron Science and Boron Neutron Capture Therapy' and the recent progress reports especially subscribed. The 11 of the presented papers are indexed individually. (J.P.N.)

  14. Spectromicroscopy of boron for the optimization of boron neutron capture therapy (BNCT) for cancer

    Science.gov (United States)

    Gilbert, B.; Redondo, J.; Baudat, P.-A.; Lorusso, G. F.; Andres, R.; Van Meir, E. G.; Brunet, J.-F.; Hamou, M.-F.; Suda, T.; Mercanti, Delio; Ciotti, M. Teresa; Droubay, T. C.; Tonner, B. P.; Perfetti, P.; Margaritondo, M.; DeStasio, Gelsomina

    1998-10-01

    We used synchrotron spectromicroscopy to study the microscopic distribution of boron in rat brain tumour and healthy tissue in the field of boron neutron capture therapy (BNCT). The success of this experimental cancer therapy depends on the preferential uptake of ? in tumour cells after injection of a boron compound (in our case ?, or BSH). With the Mephisto (microscope à emission de photoélectrons par illumination synchrotronique de type onduleur) spectromicroscope, high-magnification imaging and chemical analysis was performed on brain tissue sections from a rat carrying an implanted brain tumour and the results were compared with inductively coupled plasma-atomic emission spectroscopy (ICP-AES) detection of boron in bulk tissue. Boron was found to have been taken up more favourably by regions of tumour rather than healthy tissue, but the resulting boron distribution in the tumour was inhomogeneous. The results demonstrate that Mephisto can perform microchemical analysis of tissue sections, detect and localize the presence of boron with submicron spatial resolution. The application of this technique to boron in brain tissue can therefore be used to evaluate the current efforts to optimize BNC therapy.

  15. Spectromicroscopy of boron for the optimization of boron neutron capture therapy (BNCT) for cancer

    Energy Technology Data Exchange (ETDEWEB)

    Gilbert, B.; Redondo, J.; Baudat, P-A. [Institut de Physique Appliquee, Ecole Polytechnique Federale, Lausanne (Switzerland)] [and others

    1998-10-07

    We used synchrotron spectromicroscopy to study the microscopic distribution of boron in rat brain tumour and healthy tissue in the field of boron neutron capture therapy (BNCT). The success of this experimental cancer therapy depends on the preferential uptake of {sup 10}B in tumour cells after injection of a boron compound (in our case B{sub 12}H{sub 11}SH, or BSH). With the Mephisto (microscope a emission de photoelectrons par illumination synchrotronique de type onduleur) spectromicroscope, high-magnification imaging and chemical analysis was performed on brain tissue sections from a rat carrying an implanted brain tumour and the results were compared with inductively coupled plasma-atomic emission spectroscopy (ICP-AES) detection of boron in bulk tissue. Boron was found to have been taken up more favourably by regions of tumour rather than healthy tissue, but the resulting boron distribution in the tumour was inhomogeneous. The results demonstrate that Mephisto can perform microchemical analysis of tissue sections, detect and localize the presence of boron with submicron spatial resolution. The application of this technique to boron in brain tissue can therefore be used to evaluate the current efforts to optimize BNC therapy. (author)

  16. 机械法合成BN纳米管%Mechanosynthesis of Boron Nitride Nanotubes

    Institute of Scientific and Technical Information of China (English)

    籍凤秋; 曹传宝; 徐红; 杨子光

    2006-01-01

    Boron nitride nanotubes (BN-NTs) with pure hexagonal BN phase have been synthesized by heating ball-milled boron powders in flowing ammonia gas at a temperature of 1200℃. The as-synthesized products were characterized by X-ray powder diffraction, transmission electron microscopy, high-resolution transmission electron microscopy, and electron energy loss spectroscopy (EELS). The diameters of nanotubes are in the rage of 40120nm and the lengths are more than 10μm. EELS result identifies that the ratio of boron and nitrogen is almost 1:1. The growth temperature is a crucial growth parameter in controlling the structure and crystalline of BN-NTs. The nanotubes grown at 1100℃ possesses of a bamboo-like structure, while as the temperature increased to 1200℃, most of the nanotubes exhibited a cylindrical structure. In addition, changing the heating time can control the size of the nanotubes. The gas atmosphere has influence on the yield of BN-NTs during heating process. When heating atmosphere was replaced by nitrogen, the yield of nanotubes was remarkably decreased.

  17. Aluminum and boron nuclear quadrupole resonance with a direct current superconducting quantum interference device

    Science.gov (United States)

    Connor, C.; Chang, J.; Pines, A.

    1990-12-01

    We report the application of our dc SQUID (superconducting quantum interference device) spectrometer [C. Connor, J. Chang, and A. Pines, Rev. Sci. Instrum. 61, 1059(1990)] to nuclear quadrupole resonance (NQR) studies of aluminum-27, and boron-11 in crystalline and glassy solids. Our results give e2qQ/h=2.38 MHz and η=0.0 for α-Al2O3 at 4.2 K. For the natural mineral petalite (LiAlSi4O10), we obtain e2qQ/h=4.56 MHz and η=0.47. The quadrupole resonance frequency is 1467 kHz in boron nitride, and in the vicinity of 1300 kHz for various borates in the B2O3ṡxH2O system. The distribution of boron environments in a B2O3 glass gives rise to a linewidth of about 80 kHz in the SQUID detected resonance.

  18. Large-area growth of multi-layer hexagonal boron nitride on polished cobalt foils by plasma-assisted molecular beam epitaxy

    Science.gov (United States)

    Xu, Zhongguang; Tian, Hao; Khanaki, Alireza; Zheng, Renjing; Suja, Mohammad; Liu, Jianlin

    2017-01-01

    Two-dimensional (2D) hexagonal boron nitride (h-BN), which has a similar honeycomb lattice structure to graphene, is promising as a dielectric material for a wide variety of potential applications based on 2D materials. Synthesis of high-quality, large-size and single-crystalline h-BN domains is of vital importance for fundamental research as well as practical applications. In this work, we report the growth of h-BN films on mechanically polished cobalt (Co) foils using plasma-assisted molecular beam epitaxy. Under appropriate growth conditions, the coverage of h-BN layers can be readily controlled by growth time. A large-area, multi-layer h-BN film with a thickness of 5~6 nm is confirmed by Raman spectroscopy, scanning electron microscopy, X-ray photoelectron spectroscopy and transmission electron microscopy. In addition, the size of h-BN single domains is 20~100 μm. Dielectric property of as-grown h-BN film is evaluated by characterization of Co(foil)/h-BN/Co(contact) capacitor devices. Breakdown electric field is in the range of 3.0~3.3 MV/cm, which indicates that the epitaxial h-BN film has good insulating characteristics. In addition, the effect of substrate morphology on h-BN growth is discussed regarding different domain density, lateral size, and thickness of the h-BN films grown on unpolished and polished Co foils. PMID:28230178

  19. DABO Boronates: Stable Heterocyclic Boronic Acid Complexes for Use in Suzuki-Miyaura Cross-Coupling Reactions.

    Science.gov (United States)

    Reilly, Maureen K; Rychnovsky, Scott D

    2011-10-01

    Diethanolamine complexed heterocyclic boronic acids (DABO boronates) are air-stable reagents that can be used directly in Suzuki-Miyaura reactions in the presence of water or a protic co-solvent. Interestingly, heterocyclic DABO boronates can be stored for extended periods of time at room temperature with no noticeable degradation, unlike their boronic acid counterparts. Heterocyclic DABO boronates constitute an operationally simple and efficient alternative to other boronic acid derivatives as coupling partners in palladium catalyzed cross-coupling reactions under standard Suzuki-Miyaura conditions.

  20. Generic Crystalline Disposal Reference Case

    Energy Technology Data Exchange (ETDEWEB)

    Painter, Scott Leroy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Harp, Dylan Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Perry, Frank Vinton [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wang, Yifeng [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-20

    A generic reference case for disposal of spent nuclear fuel and high-level radioactive waste in crystalline rock is outlined. The generic cases are intended to support development of disposal system modeling capability by establishing relevant baseline conditions and parameters. Establishment of a generic reference case requires that the emplacement concept, waste inventory, waste form, waste package, backfill/buffer properties, EBS failure scenarios, host rock properties, and biosphere be specified. The focus in this report is on those elements that are unique to crystalline disposal, especially the geosphere representation. Three emplacement concepts are suggested for further analyses: a waste packages containing 4 PWR assemblies emplaced in boreholes in the floors of tunnels (KBS-3 concept), a 12-assembly waste package emplaced in tunnels, and a 32-assembly dual purpose canister emplaced in tunnels. In addition, three failure scenarios were suggested for future use: a nominal scenario involving corrosion of the waste package in the tunnel emplacement concepts, a manufacturing defect scenario applicable to the KBS-3 concept, and a disruptive glaciation scenario applicable to both emplacement concepts. The computational approaches required to analyze EBS failure and transport processes in a crystalline rock repository are similar to those of argillite/shale, with the most significant difference being that the EBS in a crystalline rock repository will likely experience highly heterogeneous flow rates, which should be represented in the model. The computational approaches required to analyze radionuclide transport in the natural system are very different because of the highly channelized nature of fracture flow. Computational workflows tailored to crystalline rock based on discrete transport pathways extracted from discrete fracture network models are recommended.

  1. Ceramic silicon-boron-carbon fibers from organic silicon-boron-polymers

    Science.gov (United States)

    Riccitiello, Salvatore R. (Inventor); Hsu, Ming-Ta S. (Inventor); Chen, Timothy S. (Inventor)

    1993-01-01

    Novel high strength ceramic fibers derived from boron, silicon, and carbon organic precursor polymers are discussed. The ceramic fibers are thermally stable up to and beyond 1200 C in air. The method of preparation of the boron-silicon-carbon fibers from a low oxygen content organosilicon boron precursor polymer of the general formula Si(R2)BR(sup 1) includes melt-spinning, crosslinking, and pyrolysis. Specifically, the crosslinked (or cured) precursor organic polymer fibers do not melt or deform during pyrolysis to form the silicon-boron-carbon ceramic fiber. These novel silicon-boron-carbon ceramic fibers are useful in high temperature applications because they retain tensile and other properties up to 1200 C, from 1200 to 1300 C, and in some cases higher than 1300 C.

  2. Atmospheric contribution to boron enrichment in aboveground wheat tissues.

    Science.gov (United States)

    Wang, Cheng; Ji, Junfeng; Chen, Mindong; Zhong, Cong; Yang, Zhongfang; Browne, Patrick

    2017-05-01

    Boron is an essential trace element for all organisms and has both beneficial and harmful biological functions. A particular amount of boron is discharged into the environment every year because of industrial activities; however, the effects of environmental boron emissions on boron accumulation in cereals has not yet been estimated. The present study characterized the accumulation of boron in wheat under different ecological conditions in the Yangtze River Delta (YRD) area. This study aimed to estimate the effects of atmospheric boron that is associated with industrial activities on boron accumulation in wheat. The results showed that the concentrations of boron in aboveground wheat tissues from the highly industrialized region were significantly higher than those from the agriculture-dominated region, even though there was no significant difference in boron content in soils. Using the model based on the translocation coefficients of boron in the soil-wheat system, we estimated that the contribution of atmosphere to boron accumulation in wheat straw in the highly industrialized region exceeded that in the agriculture-dominated region by 36%. In addition, from the environmental implication of the model, it was estimated that the development of boron-utilizing industries had elevated the concentration of boron in aboveground wheat tissues by 28-53%. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Characterization of boron doped diamond-like carbon film by HRTEM

    Energy Technology Data Exchange (ETDEWEB)

    Li, X.J., E-mail: lixj@alum.imr.ac.cn [College of Material Science and Engineering, Key Laboratory of Advanced Structural Materials, Ministry of Education, Changchun University of Technology, Changchun 130012 (China); He, L.L., E-mail: llhe@imr.ac.cn [Shenyang National Lab of Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Li, Y.S. [Department of Mechanical Engineering, University of Saskatchewan, Saskatoon, SK S7N 5A9 (Canada); Plasma Physics Laboratory, University of Saskatchewan, Saskatoon, SK S7N 5E2 (Canada); Yang, Q. [Department of Mechanical Engineering, University of Saskatchewan, Saskatoon, SK S7N 5A9 (Canada); Hirose, A. [Plasma Physics Laboratory, University of Saskatchewan, Saskatoon, SK S7N 5E2 (Canada)

    2015-12-01

    Graphical abstract: - Highlights: • The microstructure of B-DLC film is studied by HRTEM in cross-sectional observation. • Many crystalline nanoparticles dispersed in the amorphous matrix film are observed. • Through composition and structure analysis, the nanoparticles are identified as B{sub 2}O. • The work implies the doped B element exists as oxide state in the B-DLC film. - Abstract: Boron doped diamond-like carbon (B-DLC) film was synthesized on silicon (1 0 0) wafer by biased target ion beam deposition. High-resolution transmission electron microscopy (HRTEM) is employed to investigate the microstructure of the B-DLC thin film in cross-sectional observation. Many crystalline nanoparticles randomly dispersed and embedded in the amorphous matrix film are observed. Through chemical compositional analysis of the B-DLC film, some amount of O element is confirmed to be contained. And also, some nanoparticles with near zone axes are indexed, which are accordance with B{sub 2}O phase. Therefore, the contained O element causing the B element oxidized is proposed, resulting in the formation of the nanoparticles. Our work indicates that in the B-DLC film a significant amount of the doped B element exists as boron suboxide nanoparticles.

  4. Complex nanospherulites of zinc oxide and native amorphous boron in the lunar regolith from Mare Crisium

    Science.gov (United States)

    Mokhov, A. V.; Kartashov, P. M.; Gornostaeva, T. A.; Asadulin, En. E.; Bogatikov, O. A.

    2013-01-01

    During the study of tea-colored impact glass fragments from the sample of lunar regolith delivered to Earth by the Luna 24 automatic station by transmission electron microscopy, the composition variations of the previously described high-carbonaceous film, the presence of at least three composition types of glasses, and unusual nanospherulites with Zn-B-N-O composition were discovered. As a part of a nonuniform high-carbonaceous oxygen-bearing film, sites enriched in either Na, S, Si, or Ca were detected. All these sites, as well as the whole film, are electron-amorphous; however, crystalline graphite was also found. Two types of nanospherulites are composed of amorphous ZnO and regular interstratifications of crystalline ZnO and amorphous boron layers with insignificant participation of adsorbed nitrogen. It is supposed that the formation of zinc-boron nanospherulites was caused by a fast-flowing explosive process and probably was modulated by high-frequency acoustic oscillations in a cloud of evaporated high-temperature ionized gas during the impact event.

  5. Phase diagrams of binary crystalline-crystalline polymer blends.

    Science.gov (United States)

    Matkar, Rushikesh A; Kyu, Thein

    2006-08-17

    A thermodynamically self-consistent theory has been developed to establish binary phase diagrams for two-crystalline polymer blends by taking into consideration all interactions including amorphous-amorphous, crystal-amorphous, amorphous-crystal, and crystal-crystal interactions. The present theory basically involves combination of the Flory-Huggins free energy for amorphous-amorphous isotropic mixing and the Landau free energy of polymer solidification (e.g., crystallization) of the crystalline constituents. The self-consistent solution via minimization of the free energy of the mixture affords determination of eutectic, peritectic, and azeotrope phase diagrams involving various coexistence regions such as liquid-liquid, liquid-solid, and solid-solid coexistence regions bound by liquidus and solidus lines. To validate the present theory, the predicted eutectic phase diagrams have been compared with the reported experimental binary phase diagrams of blends such as polyethylene fractions as well as polycaprolactone/trioxane mixtures.

  6. Nanopipe formation as a result of boron impurity segregation in gallium nitride grown by halogen-free vapor phase epitaxy

    Science.gov (United States)

    Kimura, Taishi; Aoki, Yuko; Horibuchi, Kayo; Nakamura, Daisuke

    2016-12-01

    The work reported herein demonstrated that nanopipes can be formed via a surfactant effect, in which boron impurities preferentially migrate to semipolar and nonpolar facets. Approximately 3 μm-thick GaN layers were grown using halogen-free vapor phase epitaxy. All layers grown in pyrolytic boron nitride (pBN) crucibles were found to contain a high density of nanopipes in the range of 1010 to 1011 cm-2. The structural properties of these nanopipes were analyzed by X-ray rocking curve measurements, transmission electron microscopy, and three-dimensional atom probe (3DAP) tomography. The resulting 3DAP maps showed nanopipe-sized regions of boron segregation, and these nanopipes were not associated with the presence of dislocations. A mechanism for nanopipe formation was developed based on the role of boron as a surfactant and considering energy minima. A drastic reduction in the nanopipe density was achieved upon replacing the pBN crucibles with tantalum carbide-coated carbon crucibles. Consequently, we have confirmed that nanopipes can be formed solely due to surface energy changes induced by boron impurity surface segregation. For this reason, these results also indicate that nanopipes should be formed by other surfactant impurities such as Mg and Si.

  7. Effect of Boron-Doped Diamond Interlayer on Cutting Performance of Diamond Coated Micro Drills for Graphite Machining

    Directory of Open Access Journals (Sweden)

    Zhiming Zhang

    2013-07-01

    Full Text Available Thin boron doped diamond (BDD film is deposited from trimethyl borate/acetone/hydrogen mixture on Co-cemented tungsten carbide (WC-Co micro drills by using the hot filament chemical vapor deposition (HFCVD technique. The boron peak on Raman spectrum confirms the boron incorporation in diamond film. This film is used as an interlayer for subsequent CVD of micro-crystalline diamond (MCD film. The Rockwell indentation test shows that boron doping could effectively improve the adhesive strength on substrate of as deposited thin diamond films. Dry drilling of graphite is chosen to check the multilayer (BDD + MCD film performance. For the sake of comparison, machining tests are also carried out under identical conditions using BDD and MCD coated micro drills with no interlayer. The wear mechanism of the tools has been identified and correlated with the criterion used to evaluate the tool life. The results show that the multilayer (BDD + MCD coated micro drill exhibits the longest tool life. Therefore, thin BDD interlayer is proved to be a new viable alternative and a suitable option for adherent diamond coatings on micro cutting tools.

  8. TiO2 nanopowder co-doped with iodine and boron to enhance visible-light photocatalytic activity.

    Science.gov (United States)

    Ding, Jianqiang; Yuan, Yali; Xu, Jinsheng; Deng, Jian; Guo, Jianbo

    2009-10-01

    An iodine and boron co-doped TiO2 photocatalyst was prepared by the hydrolyzation-precipitation method. X-ray diffraction (XRD), ultraviolet-visible diffuse reflectance spectroscopy (UV-Vis DRS), and X-ray photoelectron spectroscopy (XPS) were applied to characterize the crystalline structure, light absorbing ability, and the chemical state of iodine and boron in the photocatalysts. The results of photocatalytic degradation of methyl orange demonstrated that the I-B-TiO2 catalyst prepared at 400 degrees C for 3 h exhibited the highest photocatalytic activity with a methyl orange degradation ratio of 61% under visible-light (lambda > or = 420 nm) irradiation for 120 min. The characterization results revealed that I-B-TiO2 is in conformity with the anatase TiO2 and that the doping of iodine and boron ions could efficiently inhibit the grain growth. Doped iodine was present in the multivalent forms of 17+, I- and I5+. Doped boron was present as B3+ in an as-prepared sample, forming a possible chemical environment such as B-O-Ti. Overall, the doping of I and B enhanced the ability of TiO2 to absorb visible-light, and it was observed that the photocatalytic activity of I-B-TiO2 was enhanced by the synergistic effect of I and B.

  9. Electrical properties of n-type multicrystalline silicon for photovoltaic application-Impact of high temperature boron diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Jourdan, J.; Dubois, S.; Cabal, R. [INES - CEA Grenoble, 50 avenue du Lac Leman, bat. PUMA2, 73370, Le Bourget du Lac (France); Veschetti, Y. [INES - CEA Grenoble, 50 avenue du Lac Leman, bat. PUMA2, 73370, Le Bourget du Lac (France)], E-mail: Yannick.Veschetti@cea.fr

    2009-03-15

    The effects of boron diffusion were investigated on electronic grade n-type single- and multicrystalline silicon wafers for solar cells application. Doped p{sup +}-layers were formed using specific spin-on dopant (SOD) source annealed in a tube furnace. Homogeneous diffused layers with sheet resistance values of 70 {omega}/sq were achieved on large area silicon wafers. Bulk electrical properties were investigated measuring the effective carrier lifetime after the diffusion step. A significant degradation of the bulk electrical properties was observed using the SOD technique. Unlike for the single-crystalline silicon, it was determined that this effect was not due to an interstitial iron contamination originating from the SOD, but rather by the thermal degradation of the material. Boron diffusion was followed by a phosphorous diffusion sequence, necessary in the fabrication process for the formation of the back surface field. This additional step leads to an improvement of effective lifetime values due to an efficient gettering of the impurities. Finally, bulk carrier lifetimes from 100 {mu}s to over 300 {mu}s were deduced on n-type multicrystalline silicon after boron and phosphorus diffusion. This underlines the potential of this material for photovoltaic application and its stability after high temperature treatments provided that a gettering step is included after the boron diffusion step.

  10. Boron remobilization at low boron supply in olive (Olea europaea) in relation to leaf and phloem mannitol concentrations.

    Science.gov (United States)

    Liakopoulos, Georgios; Stavrianakou, Sotiria; Filippou, Manolis; Fasseas, Costas; Tsadilas, Christos; Drossopoulos, Ioannis; Karabourniotis, George

    2005-02-01

    For plant species in which a considerable portion of the photoassimilates are translocated in the phloem as sugar alcohols, boron is freely translocated from mature organs to growing tissues. However, the effects of decreased plant boron status on boron remobilization are poorly understood. We conducted a growth chamber experiment (CE) and a field experiment (FE) to study the effects of low boron supply on boron remobilization in olive (Olea europaea L.), a species that transports considerable amounts of mannitol in the phloem. For the CE, several physiological parameters were compared between control (B+) and boron-deficient olive plants (B-) during the expansion of new leaves. Boron remobilization was assessed by measuring boron content of selected leaves at the beginning and at the end of the CE. As expected, boron was remobilized from mature leaves to young leaves of B+ plants; however, considerable boron remobilization was also observed in B- plants, suggesting a mechanism whereby olive can sustain a minimum boron supply for growth of new tissues despite an insufficient external boron supply. Boron deficiency caused inhibition of new growth but had no effect on photosynthetic capacity per unit leaf surface area of young and mature leaves, thereby altering the carbon utilization pattern and resulting in carbon allocation to structures within the source leaves and accumulation of soluble carbohydrates. Specifically, in mature B- leaves in the CE and in B- leaves in the FE, mannitol concentration on a leaf water content basis increased by 48 and 27% respectively, compared with controls. Carbon export ability (assessed by both phloem anatomy and phloem exudate composition of FE leaves) was enhanced at low boron supply. We conclude that, at low boron supply, increased mannitol concentrations maintain boron remobilization from source leaves to boron-demanding sink leaves.

  11. Neutron Flux Density Measured by Analysis of Annealing Heat

    Institute of Scientific and Technical Information of China (English)

    WANG; Fan; SHI; Yong-qian; ZHU; Qing-fu; LU; Jin; LI; Lai-dong

    2015-01-01

    Neutron flux density measurement by thermal analysis is a new method different from the previous.This method is first put the sample to the neutron field.Second,measure the annealingheat of the sample.Find out the suitable mixture of crystal boron and apatite to measure the neutron flux density.Then put the sample to the neutron field in

  12. Method of manufacture of atomically thin boron nitride

    Science.gov (United States)

    Zettl, Alexander K

    2013-08-06

    The present invention provides a method of fabricating at least one single layer hexagonal boron nitride (h-BN). In an exemplary embodiment, the method includes (1) suspending at least one multilayer boron nitride across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure. The present invention also provides a method of fabricating single layer hexagonal boron nitride. In an exemplary embodiment, the method includes (1) providing multilayer boron nitride suspended across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure.

  13. Studies on Separation Process and Production Technology of Boron Isotope

    Directory of Open Access Journals (Sweden)

    LI Jian-ping

    2014-02-01

    Full Text Available The boron isotopes separation test was performed by chemical exchange reaction in the benzene ether -three boron fluoride system, which resulted to the boron isotopic enrichment of -10 in the liquid phase, the boron isotopic enrichment of -11 in the gas phase. After then, boron isotope separation trial production has been finished. In this process, the exchange column and complex tower normal operating parameters and the complex tower technology have been obtained, the problems of material distillation purification is solved, boron isotopes feasibility with PTFE packing enrichment is verified in an exchange column. Also, effect of operating pressure, flow and other parameters on boron -10 isotopic enrichment experiments and the effect and properties of the PTFE packing have been investigated in the existing system. All the results are very useful for the industrialization of the boron isotopes separation system.

  14. Deposition of thin layers of boron nitrides and hydrogenated microcrystalline silicon assisted by high current direct current arc plasma; Deposition assistee par un plasma a arc a haut courant continu de couches minces de Nitrure de Bore et de Silicium microcristallin hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Franz, D. [Ecole Polytechnique Federale de Lausanne, Centre de Recherches en Physique des Plasmas (CRPP), CH-1015 Lausanne (Switzerland)

    1999-09-01

    In the frame of this thesis, a high current direct current arc (HCDCA) used for the industrial deposition of diamond, has been adapted to study the deposition of two types of coatings: a) boron nitride, whose cubic phase is similar to diamond, for tribological applications, b) hydrogenated microcrystalline silicon, for applications in the semiconductor fields (flat panel displays, solar cells,...). For the deposition of these coatings, the substrates were placed in the diffusion region of the arc. The substrate heating is mainly due to atomic species recombining on its surface. The deposition temperature, varying from 300 to 900 {sup o}C according to the films deposited, is determined by the substrate position, the arc power and the injected gas fluxes, without the use of any external heating or cooling system. Measurements performed on the arc plasma show that the electronic temperature is around 2 eV (23'000 K) while the gas temperature is lower than 5500 K. Typical electronic densities are in the range of 10{sup 12}-10{sup 1'}3 cm{sup -3}. For the deposition of boron nitride films, different boron precursors were used and a wide parameter range was investigated. The extreme difficulty of synthesising cubic boron nitride films by chemical vapour deposition (CVD) did not allow to stabilize the cubic phase of boron nitride in HCDCA. Coatings resulted in hexagonal or amorphous boron nitride with a chemical composition close to stoichiometric. The presence of hydrogen leads to the deposition of rough and porous films. Negative biasing of the samples, for positive ion bombardment, is commonly used to stabilize the cubic phase. In HCDCA and in our biasing range, only a densification of the films could be observed. A boron nitride deposition plasma study by infrared absorption spectroscopy in a capacitive radio frequency reactor has demonstrated the usefulness of this diagnostic for the understanding of the various chemical reactions which occur in this kind

  15. Characterization of boron carbide with an electron microprobe

    Science.gov (United States)

    Matteudi, G.; Ruste, J.

    1983-01-01

    Within the framework of a study of heterogeneous materials (Matteudi et al., 1971: Matteudi and Verchery, 1972) thin deposits of boron carbide were characterized. Experiments using an electronic probe microanalyzer to analyze solid boron carbide or boron carbide in the form of thick deposits are described. Quantitative results on boron and carbon are very close to those obtained when applying the Monte Carlo-type correction calculations.

  16. Boron effect on the microstructure of 9% Cr ferritic–martensitic steels

    Energy Technology Data Exchange (ETDEWEB)

    Klimenkov, M., E-mail: michael.klimenkov@kit.edu; Materna-Morris, E.; Möslang, A.

    2015-07-15

    Highlights: • Detailed TEM characterization of BN, M{sub 23}C{sub 6}, VN and TaC precipitates in B-alloyed EUROFER97. • Determination of B content influence on density and composition of M{sub 23}C{sub 6} and MX precipitates and herewith on microstructure. • α-Al{sub 2}O{sub 3}–BN–TaC–VN precipitation sequence of different phases during cooling was proposed. • Decreasing of thermal stability of microstructure with boron content was measured. - Abstract: The microstructure of reduces-activation 9Cr–WTaV steel alloyed with 83 and 1160 wt. ppm {sup 10}B was detailed analysed using transmission electron microscopy. The influence of boron content on the precipitation behaviour of M{sub 23}C{sub 6} and MX (VN and TaC) phases and, hence, on the formation process of steel’s grain and lath structure was studied. VN precipitates, which play an important role in the stabilisation of the lath structure, exhibit most sensitive reaction on presence of boron. Their spatial density significantly reduces in the alloy with 83 ppm boron. In the steel with 1160 wt. ppm boron, no formation of VN was detected, whereas TaC particles precipitate at the lath and grain boundaries. These changes in the structure stabilisation mechanism lead to an increasing lath width and a decreasing thermal stability of laths and grains. Analytical investigations of several BN particles reveal their complex multi-phase structure and allow conclusions to be drawn with respect to their precipitation sequence.

  17. Electron spin relaxation of a boron-containing heterocyclic radical

    Science.gov (United States)

    Eaton, Sandra S.; Huber, Kirby; Elajaili, Hanan; McPeak, Joseph; Eaton, Gareth R.; Longobardi, Lauren E.; Stephan, Douglas W.

    2017-03-01

    Preparation of the stable boron-containing heterocyclic phenanthrenedione radical, (C6F5)2B(O2C14H8), by frustrated Lewis pair chemistry has been reported recently. Electron paramagnetic resonance measurements of this radical were made at X-band in toluene:dichloromethane (9:1) from 10 to 293 K, in toluene from 180 to 293 K and at Q-band at 80 K. In well-deoxygenated 0.1 mM toluene solution at room temperature hyperfine splittings from 11B, four pairs of 1H, and 5 pairs of 19F contribute to an EPR spectrum with many resolved lines. Observed hyperfine couplings were assigned based on DFT calculations and account for all of the fluorines and protons in the molecule. Rigid lattice g values are gx = 2.0053, gy = 2.0044, and gz = 2.0028. Near the melting point of the solvent 1/Tm is enhanced due to motional averaging of g and A anisotropy. Increasing motion above the melting point enhances 1/T1 due to contributions from tumbling-dependent processes. The overall temperature dependence of 1/T1 from 10 to 293 K was modeled with the sum of contributions of a process that is linear in T, a Raman process, spin rotation, and modulation of g anisotropy by molecular tumbling. The EPR measurements are consistent with the description of this compound as a substituted aromatic radical, with relatively small spin density on the boron.

  18. Phase diagram of boron carbide with variable carbon composition

    Science.gov (United States)

    Yao, Sanxi; Gao, Qin; Widom, Michael

    2017-02-01

    Boron carbide exhibits intrinsic substitutional disorder over a broad composition range. The structure consists of 12-atom icosahedra placed at the vertices of a rhombohedral lattice, together with a 3-atom chain along the threefold axis. In the high-carbon limit, one or two carbon atoms can replace boron atoms on the icosahedra while the chains are primarily of type C-B-C. We fit an interatomic pair interaction model to density-functional-theory total energies to investigate the substitutional carbon disorder. Monte Carlo simulations with sampling improved by replica exchange and augmented by two-dimensional multiple histogram analysis predict three phases. The low-temperature, high-carbon-composition monoclinic C m structure disorders through a pair of phase transitions, first via an Ising-like transition to a monoclinic centrosymmetric state with space group C 2 /m , then via a first-order three-state Potts-like transition to the experimentally observed rhombohedral R 3 ¯m symmetry.

  19. Boron Removal in Seawater Reverse Osmosis System

    KAUST Repository

    Rahmawati, Karina

    2011-07-01

    Reverse osmosis successfully proves to remove more than 99% of solute in seawater, providing fresh water supply with satisfied quality. Due to some operational constraints, however, some trace contaminants removal, such as boron, cannot be achieved in one pass system. The stringent criterion for boron from World Health Organization (WHO) and Saudi Arabia local standard (0.5 mg/l) is hardly fulfilled by single pass sea water reverse osmosis (SWRO) plants. Some design processes have been proposed to deal with boron removal, but they are not economically efficient due to high energy and chemical consumption. The objective of this study was to study boron removal by different reverse osmosis membranes in two pH conditions, with and without antiscalant addition. Thus, it was expected to observe the possibility of operating single pass system and necessity to operate two pass system using low energy membrane. Five membrane samples were obtained from two different manufacturers. Three types of feed water pH were used, pH 8, pH 10, and pH 10 with antiscalant addition. Experiment was conducted in parallel to compare membrane performance from two manufacturers. Filtration was run with fully recycle mode for three days. Sample of permeate and feed were taken every 12 hours, and analyzed for their boron and TDS concentration. Membrane samples were also tested for their surface charge. The results showed that boron rejection increases as the feed pH increases. This was caused by dissociation of boric acid to negatively charged borate ion and more negatively charged membrane surface at elevated pH which enhance boron rejection. This study found that single pass reverse osmosis system, with and without elevating the pH, may not be possible to be applied because of two reasons. First, permeate quality in term of boron, does not fulfill WHO and local Saudi Arabia regulations. Second, severe scaling occurs due to operation in alkaline condition, since Ca and Mg concentration are

  20. INFLUENCE OF FINE-DISPERSED BORON CARBIDE ON THE STRUCTURE AND CHARACTERISTICS OF IRON-BORON ALLOY

    Directory of Open Access Journals (Sweden)

    N. F. Nevar

    2010-01-01

    Full Text Available The influence of boron carbide as fine-dispersed material input into the melt on structure morphology, founding, technological and exploitation characterisstics of cast iron-boron material is shown.

  1. Boron-Boron One-Electron Sigma Bonds versus B-X-B Bridged Structures.

    Science.gov (United States)

    Kusevska, Elena; Montero-Campillo, M Merced; Mó, Otilia; Yáñez, Manuel

    2016-09-12

    The existence of one-electron B-B σ bonds, for two different sets of compounds, was investigated by analyzing their electron density with different tools, namely QTAIM, ELF, NCIPLOT, and NBO approaches. Our results indicate that although the generic label "one-electron sigma bond" is often used in the literature, the nature of these bonds varies considerably, or they even do not exist. The [B2 X6 ](-) radical anions give place to true covalent one-electron σ bonds, the stronger the more electronegative is the X substituent. When both boron atoms are substituents in a rigid aromatic moiety, such as naphthalene, to yield 1,8-disubstituted derivatives, two kinds of equilibrium structures are found, those also stabilized through a one-electron σ bond (X=OH, F, Cl, CN) and those stabilized by the formation of B-X-B bridges (X=H, OMe). These 1,8-BX2 naphthalene derivatives can be considered as analogues of 1,8-NX2 naphthalene proton sponges. While the latter are able to stabilize a proton between the two basic sites, the former are able to stabilize an electron between the two electron-deficient B atoms. Interestingly, when all the H atoms attached to B are substituted by phenyl groups no one-electron σ bonds B-B bonds are formed, due to the dispersion of the unpaired electron in the aromatic substituents.

  2. Phonon-Assisted Resonant Tunneling of Electrons in Graphene-Boron Nitride Transistors

    Science.gov (United States)

    Vdovin, E. E.; Mishchenko, A.; Greenaway, M. T.; Zhu, M. J.; Ghazaryan, D.; Misra, A.; Cao, Y.; Morozov, S. V.; Makarovsky, O.; Fromhold, T. M.; Patanè, A.; Slotman, G. J.; Katsnelson, M. I.; Geim, A. K.; Novoselov, K. S.; Eaves, L.

    2016-05-01

    We observe a series of sharp resonant features in the differential conductance of graphene-hexagonal boron nitride-graphene tunnel transistors over a wide range of bias voltages between 10 and 200 mV. We attribute them to electron tunneling assisted by the emission of phonons of well-defined energy. The bias voltages at which they occur are insensitive to the applied gate voltage and hence independent of the carrier densities in the graphene electrodes, so plasmonic effects can be ruled out. The phonon energies corresponding to the resonances are compared with the lattice dispersion curves of graphene-boron nitride heterostructures and are close to peaks in the single phonon density of states.

  3. Update on human health effects of boron.

    Science.gov (United States)

    Nielsen, Forrest H

    2014-10-01

    In vitro, animal, and human experiments have shown that boron is a bioactive element in nutritional amounts that beneficially affects bone growth and central nervous system function, alleviates arthritic symptoms, facilitates hormone action and is associated with a reduced risk for some types of cancer. The diverse effects of boron suggest that it influences the formation and/or activity of substances that are involved in numerous biochemical processes. Several findings suggest that this influence is through the formation of boroesters in biomolecules containing cis-hydroxyl groups. These biomolecules include those that contain ribose (e.g., S-adenosylmethionine, diadenosine phosphates, and nicotinamide adenine dinucleotide). In addition, boron may form boroester complexes with phosphoinositides, glycoproteins, and glycolipids that affect cell membrane integrity and function. Both animal and human data indicate that an intake of less than 1.0mg/day inhibits the health benefits of boron. Dietary surveys indicate such an intake is not rare. Thus, increasing boron intake by consuming a diet rich in fruits, vegetables, nuts and pulses should be recognized as a reasonable dietary recommendation to enhance health and well-being.

  4. Boron tolerance in NS wheat lines

    Directory of Open Access Journals (Sweden)

    Brdar Milka

    2006-01-01

    Full Text Available Boron is an essential micronutrient for higher plants. Present in excessive amounts boron becomes toxic and can limit plant growth and yield. Suppression of root growth is one of the symptoms of boron toxicity in wheat. This study was undertaken to investigate the response of 10 perspective NS lines of wheat to high concentrations of boron. Analysis of root growth was done on young plants, germinated and grown in the presence of different concentrations of boric acid (0, 50,100 and 150 mg/1. Significant differences occurred between analyzed genotypes and treatments regarding root length. Average suppression of root growth was between 11,6 and 34,2%, for line NS 252/02 are even noted 61,4% longer roots at treatments in relation to the control. Lines with mean suppression of root growth less than 20% (NS 101/02, NS 138/01, NS 53/03 and NS 73/02 may be considered as boron tolerant. Spearmans coefficients showed high level of agreement regarding rang of root length for genotypes treated with 100 and 150 mg H3BO3/l.

  5. Axial residual stresses in boron fibers

    Science.gov (United States)

    Behrendt, D. R.

    1978-01-01

    A method of measuring axial residual stresses in boron fibers is presented. With this method, the axial residual stress distribution as a function of radius is determined from the fiber surface to the core including the average residual stress in the core. Such measurements on boron on tungsten (B/W) fibers show that the residual stresses for 102, 142, 203, and 366 micron diam fibers are similar, being compressive at the surface and changing monotonically to a region of tensile stress within the boron. At approximately 25% of the original radius, the stress reaches a maximum tensile stress of about 860 MN sq m and then decreases to a compressive stress near the tungsten boride core. Data are presented for 203-micron diam B/W fibers that show annealing above 900 C reduces the residual stresses. A comparison between 102-micron diam B/W and boron on carbon (B/C) show that the residual stresses are similar in the outer regions of the fibers, but that large differences near and in the core are observed. Fracture of boron fibers is discussed.

  6. First gaseous boronization during pulsed discharge cleaning

    Energy Technology Data Exchange (ETDEWEB)

    Ko, J., E-mail: jinseok@nfri.re.kr [Department of Physics, University of Wisconsin, Madison, WI (United States); Den Hartog, D.J.; Goetz, J.A.; Weix, P.J.; Limbach, S.T. [Department of Physics, University of Wisconsin, Madison, WI (United States)

    2013-01-15

    The first successful gaseous boronization during a pulsed discharge is reported. Sublimation of o-carborane (C{sub 2}B{sub 10}H{sub 12}) combined with pulsed discharge plasmas with a repetition rate of 1 Hz is used to produce a hard boron-containing coating for reversed field pinch (RFP) plasmas in the Madison Symmetric Torus. X-ray photoelectron spectroscopy with Ar ion beam etching for silicon coupons installed at the plasma boundary shows about 60% boron concentration in the deposited layer. Both profilometer and scanning electron microscope analyses of the silicon coupons imply a strong toroidally non-uniform deposition depending on the location of the o-carborane injection. The layer thickness ranges from 50 to 300 nm. Ellipsometry calibrated with the profilometer results yields a refractive index of 2.2-2.3 for the films. The high refractive index implies that the coating is hard and has a well-ordered morphology. A reduction in wall recycling has consistently been observed after all boronization sessions. Comparison of the X-ray spectra in standard RFP plasmas before and after boronization indicates a slight decrease in the effective ionic charge.

  7. First gaseous boronization during pulsed discharge cleaning

    Science.gov (United States)

    Ko, J.; Den Hartog, D. J.; Goetz, J. A.; Weix, P. J.; Limbach, S. T.

    2013-01-01

    The first successful gaseous boronization during a pulsed discharge is reported. Sublimation of o-carborane (C2B10H12) combined with pulsed discharge plasmas with a repetition rate of 1 Hz is used to produce a hard boron-containing coating for reversed field pinch (RFP) plasmas in the Madison Symmetric Torus. X-ray photoelectron spectroscopy with Ar ion beam etching for silicon coupons installed at the plasma boundary shows about 60% boron concentration in the deposited layer. Both profilometer and scanning electron microscope analyses of the silicon coupons imply a strong toroidally non-uniform deposition depending on the location of the o-carborane injection. The layer thickness ranges from 50 to 300 nm. Ellipsometry calibrated with the profilometer results yields a refractive index of 2.2-2.3 for the films. The high refractive index implies that the coating is hard and has a well-ordered morphology. A reduction in wall recycling has consistently been observed after all boronization sessions. Comparison of the X-ray spectra in standard RFP plasmas before and after boronization indicates a slight decrease in the effective ionic charge.

  8. Boron-Loaded Silicone Rubber Scintillators

    CERN Document Server

    Bell, Z W; Maya, L; Sloop, F V J

    2003-01-01

    Silicone rubber received attention as an alternative to polyvinyltoluene in applications in which the scintillator is exposed to high doses because of the increased resistance of the rubber to the formation of blue-absorbing color centers. Work by Bowen, et al., and Harmon, et al., demonstrated their properties under gamma/x-ray irradiation, and Bell, et al. have shown their response to thermal neutrons. This last work, however, provided an example of a silicone in which both the boron and the scintillator were contained in the rubber as solutes, a formulation which led to the precipitation of solids and sublimation of the boron component. In the present work we describe a scintillator in which the boron is chemically bonded to the siloxane and so avoids the problem of precipitation and loss of boron to sublimation. Material containing up to 18% boron, by weight, was prepared, mounted on photomultipliers, and exposed to both neutron and gamma fluxes. Pulse height spectra showing the neutron and photon respons...

  9. Dietary boron: possible roles in human and animal physiology

    Science.gov (United States)

    Boron is a bioactive element of low molecular weight. Since discovery of the first boron biomolecule, boromycin, in 1967, several other similar biomolecules are now well-characterized. Most recently described was a bacterial cell-to-cell communication signal that requires boron, autoinducer-II. Boro...

  10. Boronic acid functionalized polymers and hydrogels for biomedical applications

    NARCIS (Netherlands)

    Piest, Martin

    2011-01-01

    Boronic acid functionalized polymers are a very interesting class of materials capable of forming reversible covalent boronic esters. With boronic acids reversible binding of diols and polyols, including carbohydrates, is possible. Although such polymers are promising biomaterials, they are only rar

  11. Colorimetric Sugar Sensing Using Boronic Acid-Substituted Azobenzenes

    Science.gov (United States)

    Egawa, Yuya; Miki, Ryotaro; Seki, Toshinobu

    2014-01-01

    In association with increasing diabetes prevalence, it is desirable to develop new glucose sensing systems with low cost, ease of use, high stability and good portability. Boronic acid is one of the potential candidates for a future alternative to enzyme-based glucose sensors. Boronic acid derivatives have been widely used for the sugar recognition motif, because boronic acids bind adjacent diols to form cyclic boronate esters. In order to develop colorimetric sugar sensors, boronic acid-conjugated azobenzenes have been synthesized. There are several types of boronic acid azobenzenes, and their characteristics tend to rely on the substitute position of the boronic acid moiety. For example, o-substitution of boronic acid to the azo group gives the advantage of a significant color change upon sugar addition. Nitrogen-15 Nuclear Magnetic Resonance (NMR) studies clearly show a signaling mechanism based on the formation and cleavage of the B–N dative bond between boronic acid and azo moieties in the dye. Some boronic acid-substituted azobenzenes were attached to a polymer or utilized for supramolecular chemistry to produce glucose-selective binding, in which two boronic acid moieties cooperatively bind one glucose molecule. In addition, boronic acid-substituted azobenzenes have been applied not only for glucose monitoring, but also for the sensing of glycated hemoglobin and dopamine. PMID:28788510

  12. Colorimetric Sugar Sensing Using Boronic Acid-Substituted Azobenzenes

    Directory of Open Access Journals (Sweden)

    Yuya Egawa

    2014-02-01

    Full Text Available In association with increasing diabetes prevalence, it is desirable to develop new glucose sensing systems with low cost, ease of use, high stability and good portability. Boronic acid is one of the potential candidates for a future alternative to enzyme-based glucose sensors. Boronic acid derivatives have been widely used for the sugar recognition motif, because boronic acids bind adjacent diols to form cyclic boronate esters. In order to develop colorimetric sugar sensors, boronic acid-conjugated azobenzenes have been synthesized. There are several types of boronic acid azobenzenes, and their characteristics tend to rely on the substitute position of the boronic acid moiety. For example, o-substitution of boronic acid to the azo group gives the advantage of a significant color change upon sugar addition. Nitrogen-15 Nuclear Magnetic Resonance (NMR studies clearly show a signaling mechanism based on the formation and cleavage of the B–N dative bond between boronic acid and azo moieties in the dye. Some boronic acid-substituted azobenzenes were attached to a polymer or utilized for supramolecular chemistry to produce glucose-selective binding, in which two boronic acid moieties cooperatively bind one glucose molecule. In addition, boronic acid-substituted azobenzenes have been applied not only for glucose monitoring, but also for the sensing of glycated hemoglobin and dopamine.

  13. Photocontrollable liquid-crystalline actuators

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Haifeng [Top Runner Incubation Center for Academia-Industry Fusion and Department of Materials and Technology, Nagaoka University of Technology, 1603-1 Kamitomioka, Nagaoka 940-2188 (Japan); Ikeda, Tomiki [Chemical Resources Laboratory, Tokyo Institute of Technology, R1-11, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan)

    2011-05-17

    Coupling photochromic molecules with liquid crystalline (LC) materials enables one to reversibly photocontrol unique LC features such as phase transition, photoalignment, and molecular cooperative motion. LC elastomers show photomechanical and photomobile properties, directly converting light energy into mechanical energy. In well-defined LC block copolymers, regular patternings of nanostructures in macroscopic scales are fabricated by photo-manipulation of LC actuators. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Liquid Crystalline Esters of Dibenzophenazines

    Directory of Open Access Journals (Sweden)

    Kevin John Anthony Bozek

    2015-01-01

    Full Text Available A series of esters of 2,3,6,7-tetrakis(hexyloxydibenzo[a,c]phenazine-11-carboxylic acid was prepared in order to probe the effects of the ester groups on the liquid crystalline behavior. These compounds exhibit columnar hexagonal phases over broad temperature ranges. Variations in chain length, branching, terminal groups, and the presence of cyclic groups were found to modify transition temperatures without substantially destabilizing the mesophase range.

  15. EXAFS studies of crystalline materials

    Energy Technology Data Exchange (ETDEWEB)

    Knapp, G.S.; Georgopoulos, P.

    1982-01-01

    The application of extended x-ray absorption fine structure (EXAFS) technique to the study of crystalline materials is discussed, and previously published work on the subject is reviewed with 46 references being cited. The theory of EXAFS, methods of data analysis, and the experimental techniques, including those based on synchrotron and laboratory facilities are all discussed. Absorption and fluorescence methods of detecting EXAFS also receive attention. (BLM)

  16. Inelastic deformation in crystalline rocks

    Science.gov (United States)

    Rahmani, H.; Borja, R. I.

    2011-12-01

    The elasto-plastic behavior of crystalline rocks, such as evaporites, igneous rocks, or metamorphic rocks, is highly dependent on the behavior of their individual crystals. Previous studies indicate that crystal plasticity can be one of the dominant micro mechanisms in the plastic deformation of crystal aggregates. Deformation bands and pore collapse are examples of plastic deformation in crystalline rocks. In these cases twinning within the grains illustrate plastic deformation of crystal lattice. Crystal plasticity is governed by the plastic deformation along potential slip systems of crystals. Linear dependency of the crystal slip systems causes singularity in the system of equations solving for the plastic slip of each slip system. As a result, taking the micro-structure properties into account, while studying the overall behavior of crystalline materials, is quite challenging. To model the plastic deformation of single crystals we use the so called `ultimate algorithm' by Borja and Wren (1993) implemented in a 3D finite element framework to solve boundary value problems. The major advantage of this model is that it avoids the singularity problem by solving for the plastic slip explicitly in sub steps over which the stress strain relationship is linear. Comparing the results of the examples to available models such as Von Mises we show the significance of considering the micro-structure of crystals in modeling the overall elasto-plastic deformation of crystal aggregates.

  17. ADVANCES IN LIQUID CRYSTALLINE POLYESTERS

    Institute of Scientific and Technical Information of China (English)

    W. J. Jackson

    1992-01-01

    Advances have been made in understanding the interactions of composition, molecular weight,liquid crystallinity, orientation, and three-dimensional crystallinity on the properties of injection-molded and melt-spun liquid crystalline polyesters (LCP's). Two classes of potentially low-cost LCP's were compared : (1) semiflexible LCP's prepared from 1,6-hexanediol and the dimethyl ester of either trans-4, 4'-stilbenedicarboxylic acid or 4.4 ′-biphenyldicarboxylic acid and (2) all-aromatic LCP's prepared from terephthalic acid, 2, 6-naphthalenedicarboxylic acid, the diacetate of hydroquinone,and the acetate of p-hydroxybenzoic acid. The effects of composition on the plastic properties of the 4-component all-aromatic LCP's were determined with the aid of a 3 × 3 factorial statistically designed experiment, the generation of equations with a computer program, and the plotting of three-dimensional figures and contour diagrams. The effects of absolute molecular weight (Mw) on the tensile strengths of the semiflexible LCP's and one of the all-aromatic LCP's having an excellent balance of plastic properties were also compared, and it was observed that the semiflexible LCP's required Mw's about 4 times higher than the all-aromatic LCP to attain a given strength. Persistence lengths and molecular modeling were used to explain these differences.

  18. Biocompatibility of crystalline opal nanoparticles

    Directory of Open Access Journals (Sweden)

    Hernández-Ortiz Marlen

    2012-10-01

    Full Text Available Abstract Background Silica nanoparticles are being developed as a host of biomedical and biotechnological applications. For this reason, there are more studies about biocompatibility of silica with amorphous and crystalline structure. Except hydrated silica (opal, despite is presents directly and indirectly in humans. Two sizes of crystalline opal nanoparticles were investigated in this work under criteria of toxicology. Methods In particular, cytotoxic and genotoxic effects caused by opal nanoparticles (80 and 120 nm were evaluated in cultured mouse cells via a set of bioassays, methylthiazolyldiphenyl-tetrazolium-bromide (MTT and 5-bromo-2′-deoxyuridine (BrdU. Results 3T3-NIH cells were incubated for 24 and 72 h in contact with nanocrystalline opal particles, not presented significant statistically difference in the results of cytotoxicity. Genotoxicity tests of crystalline opal nanoparticles were performed by the BrdU assay on the same cultured cells for 24 h incubation. The reduction of BrdU-incorporated cells indicates that nanocrystalline opal exposure did not caused unrepairable damage DNA. Conclusions There is no relationship between that particles size and MTT reduction, as well as BrdU incorporation, such that the opal particles did not induce cytotoxic effect and genotoxicity in cultured mouse cells.

  19. p+-n--n+-type power diode with crystalline/nanocrystalline Si mosaic electrodes

    Science.gov (United States)

    Wensheng, Wei; Chunxi, Zhang

    2016-06-01

    Using p+-type crystalline Si with n+-type nanocrystalline Si (nc-Si) and n+-type crystalline Si with p+-type nc-Si mosaic structures as electrodes, a type of power diode was prepared with epitaxial technique and plasma-enhanced chemical vapor deposition (PECVD) method. Firstly, the basic p+-n--n+-type Si diode was fabricated by epitaxially growing p+- and n+-type layers on two sides of a lightly doped n--type Si wafer respectively. Secondly, heavily phosphorus-doped Si film was deposited with PECVD on the lithography mask etched p+-type Si side of the basic device to form a component with mosaic anode. Thirdly, heavily boron-doped Si film was deposited on the etched n+-type Si side of the second device to form a diode with mosaic anode and mosaic cathode. The images of high resolution transmission electronic microscope and patterns of X-ray diffraction reveal nanocrystallization in the phosphorus- and boron-deposited films. Electrical measurements such as capacitance-voltage relation, current-voltage feature and reverse recovery waveform were carried out to clarify the performance of prepared devices. The important roles of (n-)Si/(p+)nc-Si and (n-)Si/(n+)nc-Si junctions in the static and dynamic conduction processes in operating diodes were investigated. The performance of mosaic devices was compared to that of a basic one. Project supported by the National Natural Science Foundation of China (No. 61274006).

  20. Elemental boron-doped p(+)-SiGe layers grown by molecular beam epitaxy for infrared detector applications

    Science.gov (United States)

    Lin, T. L.; George, T.; Jones, E. W.; Ksendzov, A.; Huberman, M. L.

    1992-01-01

    SiGe/Si heterojunction internal photoemission (HIP) detectors have been fabricated utilizing molecular beam epitaxy of p(+)-SiGe layers on p(-)-Si substrates. Elemental boron from a high-temperature effusion cell was used as the dopant source during MBE growth, and high doping concentrations have been achieved. Strong infrared absorption, mainly by free-carrier absorption, was observed for the degenerately doped SiGe layers. The use of elemental boron as the dopant source allows a low MBE growth temperature, resulting in improved crystalline quality and smooth surface morphology of the Si(0.7)Ge(0.3) layers. Nearly ideal thermionic emission dark current characteristics have been obtained. Photoresponse of the HIP detectors in the long-wavelength infrared regime has been demonstrated.

  1. The Effect of Boron Addition on the Atomic Structure and Microwave Magnetic Properties of FeGaB Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Gao, J.; Yang, A; Chen, Y; Kirkland, J; Lou, J; Sun, N; Vittoria, C; Harris, V

    2009-01-01

    Varying amounts of boron were added to the host FeGa alloy to investigate its impact upon local atomic structure and magnetic and microwave properties. The impact of B upon the local atomic structure in FeGaB films was investigated by extended x-ray absorption fine structure (EXAFS) analysis. The EXAFS fitting results revealed a contraction of lattice parameters with the introduction of B. The Debye-Waller factor determined from EXAFS fitting increases as a function of boron addition and abruptly changes during the structural evolution from crystalline to amorphous that occurs near 9% B. Upon the onset of this transition the static and microwave magnetic properties became exceptionally soft, with values of coercivity and ferromagnetic linewidth reducing to less than 1 Oe and 25 Oe, respectively.

  2. Electronic, vibrational, Raman, and scanning tunneling microscopy signatures of two-dimensional boron nanomaterials

    Science.gov (United States)

    Massote, Daniel V. P.; Liang, Liangbo; Kharche, Neerav; Meunier, Vincent

    2016-11-01

    Compared to graphene, the synthesis of large area atomically thin boron materials is particularly challenging, owing to the electronic shell structure of B, which does not lend itself to the straightforward assembly of pure B materials. This difficulty is evidenced by the fact that the first synthesis of a pure two-dimensional boron was only very recently reported, using silver as a growing substrate. In addition to experimentally observed 2D boron allotropes, a number of other stable and metastable 2D boron materials are predicted to exist, depending on growth conditions and the use of a substrate during growth. This first-principles study based on density functional theory aims at providing guidelines for the identification of these materials. To this end, this report presents a comparative description of a number of possible 2D B allotropes. Electronic band structures, phonon dispersion curves, Raman scattering spectra, and scanning tunneling microscopy images are simulated to highlight the differences between five distinct realizations of these B systems. The study demonstrates the existence of clear experimental signatures that constitute a solid basis for the unambiguous experimental identification of layered B materials.

  3. Characteristics of Boron Decorated TiO2 Nanoparticles for Dye-Sensitized Solar Cell Photoanode

    Directory of Open Access Journals (Sweden)

    Ching-Yuan Ho

    2015-01-01

    Full Text Available Different boron weight percents on mixed-phase (anatase and rutile TiO2 nanoparticles were synthesized to investigate structure morphology, defect states, luminescence properties, and energy conversion. The measured results indicate that boron doping of TiO2 both increases the crystallite size and rutile-phase percent in an anatase matrix. Decreasing the band gap by boron doping can extend the absorption to the visible region, while undoped TiO2 exhibits high UV absorption. Oxygen vacancy defects generated by boron ions reduce Ti+4 and affect electron transport in dye-sensitized solar cells. Excess electrons originating from the oxygen vacancies of doped TiO2 downward shift in the conduction band edge and prompt the transfer of photoelectrons from the conduction band of the rutile phase to the lower energy anatase trapping sites; they then separate charges to enhance the photocurrent and Jsc. Although the resistance of the electron recombination (Rk between doped TiO2 photoanode and the electrolyte for the doped TiO2 sample is lower, a longer electron lifetime (τ of 19.7 ms with a higher electron density (ns of 2.1 × 1018 cm−3 contributes to high solar conversion efficiency.

  4. Boron effect on the microstructure of 9% Cr ferritic-martensitic steels

    Science.gov (United States)

    Klimenkov, M.; Materna-Morris, E.; Möslang, A.

    2015-07-01

    The microstructure of reduces-activation 9Cr-WTaV steel alloyed with 83 and 1160 wt. ppm 10B was detailed analysed using transmission electron microscopy. The influence of boron content on the precipitation behaviour of M23C6 and MX (VN and TaC) phases and, hence, on the formation process of steel's grain and lath structure was studied. VN precipitates, which play an important role in the stabilisation of the lath structure, exhibit most sensitive reaction on presence of boron. Their spatial density significantly reduces in the alloy with 83 ppm boron. In the steel with 1160 wt. ppm boron, no formation of VN was detected, whereas TaC particles precipitate at the lath and grain boundaries. These changes in the structure stabilisation mechanism lead to an increasing lath width and a decreasing thermal stability of laths and grains. Analytical investigations of several BN particles reveal their complex multi-phase structure and allow conclusions to be drawn with respect to their precipitation sequence.

  5. Surface energy and relaxation in boron carbide (101¯1) from first principles

    Science.gov (United States)

    Beaudet, Todd D.; Smith, John R.; Adams, Jane W.

    2015-10-01

    The surface energy of the boron carbide polytype B11Cp(CBC) for planar separations along {101¯1} was determined to be 3.21 J/m2 via first-principles density-functional computations. Surface atomic relaxations are relatively large, thereby lowering the surface energy significantly. The icosahedra are not intact on the surface, i.e., severed polyhedra are the lowest energy surface configuration. Good agreement was found with an experimental average fracture surface energy.

  6. Negative differential resistance in an (8, 0) carbon/boron nitride nanotube heterojunction*

    Institute of Scientific and Technical Information of China (English)

    Song Jiuxu; Yang Yintang; Liu Hongxia; Guo Lixin

    2011-01-01

    Using the method combined non-equilibrium Green's function with density functional theory, the electronic transport properties of an (8, 0) carbon/boron nitride nanotube heterojunction coupled to Au electrodes were investigated. In the current voltage characteristic of the heterojunction, negative differential resistance was found under positive and negative bias, which is the variation of the localization for corresponding molecular orbital caused by the applied bias voltage These results are meaningful to modeling and simulating on related electronic devices.

  7. Light and current induced degradation in p-type multi-crystalline cells and development of an inspection method and a stabilization method

    Energy Technology Data Exchange (ETDEWEB)

    Broek, K.M.; Bennett, I.J.; Jansen, M.J.; Borg, Van der N.J.C.M.; Eerenstein, W. [ECN Solar Energy, Petten (Netherlands)

    2012-09-15

    Stable solar cells are needed for durability testing of different combinations of module materials. In such a test, significant power losses in full-size modules with multi-crystalline cells after thermal cycling have been observed. This has been related to degradation of the solar cells used and it appeared that this was caused by current induced degradation. This phenomenon is not limited to boron doped Cz-Si, but can also occur in p-type multi-crystalline silicon. Work was done to develop an incoming inspection method for new batches of cells. Also, stabilisation procedures for modules containing cells that are sensitive to degradation have been determined.

  8. High temperature heat treatment on boron precursor and PIT process optimization to improve the Jc performance of MgB2-based conductors

    Science.gov (United States)

    Vignolo, M.; Bovone, G.; Bernini, C.; Palenzona, A.; Kawale, S.; Romano, G.; Siri, A. S.

    2013-10-01

    The promising results reported in our previous works led us to think that the production process of boron plays a crucial role in MgB2 synthesis. A new method for boron preparation has been developed in our laboratory. This particular process is based on magnesiothermic reaction (Moissan’s process) with the addition of an initial step that gives boron powder with nano-metric grain size. In this paper we report our efforts regarding optimization of the powder-in-tube (PIT) method for these nano-metric powders, and the resolution of problems previously highlighted such as the difficulty in powder packaging and the high friction phenomena occurring during cold working. This increases cracking during the tape and wire manufacture, leading to failure. Packaging problems are related to the amorphous nature of boron synthesized in our laboratory, so a crystallization treatment was applied to improve the crystallinity of the boron. To prevent excessive friction phenomena we synthesized non-stoichiometric MgB2 and used magnesium as lubricant. Our goal is the Jc improvement, but a global physical-chemical characterization was also made to analyse the improvement given by our treatments: this characterization includes x-ray diffraction, ρ(T) measurement, and SEM imaging, besides magnetic and transport Jc measurements.

  9. Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

    NARCIS (Netherlands)

    Mohammadi, V.; Nihtianov, S.

    2016-01-01

    The lateral gas phase diffusion length of boron atoms, LB, along silicon and boron surfaces during chemical vapor deposition(CVD) using diborane (B2H6) is reported. The value of LB is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and co

  10. Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

    NARCIS (Netherlands)

    Mohammadi, V.; Nihtianov, S.

    2016-01-01

    The lateral gas phase diffusion length of boron atoms, LB, along silicon and boron surfaces during chemical vapor deposition(CVD) using diborane (B2H6) is reported. The value of LB is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and co

  11. Fabrication and characterization of boron nanowires at relatively low temperature

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Large-scale crystalline boron nanowires (BNWs) were synthesized by a simple chemical vapor deposition method on Au-coated Si substrates using two kinds of innoxious and inexpensive reactant materials as the precursor at relatively low temperature (≤1000°C).The morphology and structural properties of samples were characterized by SEM,TEM,SAED,and XPS analytic instruments.The BNWs have lengths of several tens of micrometers with diameters of 80-150 nm.SAED and HRTEM analytic results testified that BNWs were single crystal core with a thin oxide sheath.By comparison of the BNW samples synthesized at difference temperatures,we conclude that BNWs have lower growth rate at 950°C,whilst the suitable growth rate can be gained at 1000°C.This result shows that BNWs can be synthesized via one step CVD process at 1000°C,and overly high growth temperature (≥1200°C) is probably unnecessary.

  12. Oxygen radical functionalization of boron nitride nanosheets.

    Science.gov (United States)

    Sainsbury, Toby; Satti, Amro; May, Peter; Wang, Zhiming; McGovern, Ignatius; Gun'ko, Yurii K; Coleman, Jonathan

    2012-11-14

    The covalent chemical functionalization of exfoliated hexagonal boron-nitride nanosheets (BNNSs) is achieved by the solution-phase oxygen radical functionalization of boron atoms in the h-BN lattice. This involves a two-step procedure to initially covalently graft alkoxy groups to boron atoms and the subsequent hydrolytic defunctionalization of the groups to yield hydroxyl-functionalized BNNSs (OH-BNNSs). Characterization of the functionalized-BNNSs using HR-TEM, Raman, UV-vis, FTIR, NMR, and TGA was performed to investigate both the structure of the BNNSs and the covalent functionalization methodology. OH-BNNSs were used to prepare polymer nanocomposites and their mechanical properties analyzed. The influence of the functional groups grafted to the surface of the BNNSs is investigated by demonstrating the impact on mechanical properties of both noncovalent and covalent bonding at the interface between the nanofiller and polymer matrixes.

  13. Metallicity of boron carbides at high pressure

    Science.gov (United States)

    Dekura, Haruhiko; Shirai, Koun; Yanase, Akira

    2010-03-01

    Electronic structure of semiconducting boron carbide at high pressure has been theoretically investigated, because of interests in the positive pressure dependence of resistivity, in the gap closure, and in the phase transition. The most simplest form B12(CCC) is assumed. Under assumptions of hydrostatic pressure and neglecting finite-temperature effects, boron carbide is quite stable at high pressure. The crystal of boron carbide is stable at least until a pressure higher than previous experiments showed. The gap closure occurs only after p=600 GPa on the assumption of the original crystal symmetry. In the low pressure regime, the pressure dependence of the energy gap almost diminishes, which is an exceptional case for semiconductors, which could be one of reasons for the positive pressure dependence of resistivity. A monotonous increase in the apex angle of rhombohedron suggests that the covalent bond continues to increase. The C chain inserted in the main diagonal of rhombohedral structure is the chief reason of this stability.

  14. Depth resolved investigations of boron implanted silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sztucki, M. E-mail: michael@sztucki.de; Metzger, T.H.; Milita, S.; Berberich, F.; Schell, N.; Rouviere, J.L.; Patel, J

    2003-01-01

    We have studied the depth distribution and structure of defects in boron implanted silicon (0 0 1). Silicon wafers were implanted with a boron dose of 6x10{sup 15} ions/cm{sup -2} at 32 keV and went through different annealing treatments. Using diffuse X-ray scattering at grazing incidence and exit angles we are able to distinguish between different kinds of defects (point defect clusters and extrinsic stacking faults on {l_brace}1 1 1{r_brace} planes) and to determine their depth distribution as a function of the thermal budget. Cross-section transmission electron microscopy was used to gain complementary information. In addition we have determined the strain distribution caused by the boron implantation as a function of depth from rocking curve measurements.

  15. Functionalization of boron diiminates with unique optical properties: multicolor tuning of crystallization-induced emission and introduction into the main chain of conjugated polymers.

    Science.gov (United States)

    Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki

    2014-12-31

    In this article, we report the unique optical characteristics of boron diiminates in the solid states. We synthesized the boron diiminates exhibiting aggregation-induced emission (AIE). From the series of optical measurements, it was revealed that the optical properties in the solid state should be originated from the suppression of the molecular motions of the boron diiminate units. The emission colors were modulated by the substitution effects (λ(PL,crystal) = 448-602 nm, λ(PL,amorphous) = 478-645 nm). Strong phosphorescence was observed from some boron diiminates deriving from the effects of two imine groups. Notably, we found some of boron diiminates showed crystallization-induced emission (CIE) properties derived from the packing differences from crystalline to amorphous states. The 15-fold emission enhancement was observed by the crystallization (Φ(PL,crystal) = 0.59, Φ(PL,amorphous) = 0.04). Next, we conjugated boron diiminates with fluorene. The synthesized polymers showed good solubility in the common solvents, film formability, and thermal stability. In addition, because of the expansion of main-chain conjugation, the peak shifts to longer wavelength regions were observed in the absorption/emission spectra of the polymers comparing to those of the corresponding boron diiminate monomers (λ(abs) = 374-407 nm, λ(PL) = 509-628 nm). Furthermore, the absorption and the emission intensities were enhanced via the light-harvesting effect by the conjugation with fluorene. Finally, we also demonstrated the dynamic reversible alterations of the optical properties of the polymer thin films by exposing to acidic or basic vapors.

  16. A new crystalline phase in magnetar crusts

    CERN Document Server

    Bedaque, Paulo F; Ng, Nathan; Sen, Srimoyee

    2013-01-01

    We show that ions at the low densities and high magnetic fields relevant to the outer crust of magnetars form a novel crystalline phase where ions are strongly coupled along the magnetic field and loosely coupled in the transverse direction. The underlying cause is the anisotropic screening of the Coulomb force by electrons in the presence of a strongly quantizing magnetic field which leads to Friedel oscillations in the ion-ion potential. In particular, the Friedel oscillations are much longer-ranged in the direction of the magnetic field than is the case in the absence of magnetic fields, a factor that has been neglected in previous studies. These "Friedel crystals" have very anisotropic elastic moduli, with potentially interesting implications for the Quasi-periodic Oscillations seen in the X-ray flux of magnetars during their giant flares. We find the minimum energy configuration of ions taking into account these anisotropic effects and find that, depending on the density, temperature and magnetic field s...

  17. Optical constants of magnetron-sputtered boron carbide thin films from photoabsorption data in the range 30 to 770 eV.

    Science.gov (United States)

    Soufli, Regina; Aquila, Andrew L; Salmassi, Farhad; Fernández-Perea, Mónica; Gullikson, Eric M

    2008-09-01

    This work discusses the experimental determination of the optical constants (refractive index) of DC-magnetron-sputtered boron carbide films in the 30-770 eV photon energy range. Transmittance measurements of three boron carbide films with thicknesses of 54.2, 79.0, and 112.5 nm were performed for this purpose. These are believed to be the first published experimental data for the refractive index of boron carbide films in the photon energy range above 160 eV and for the near-edge x-ray absorption fine structure regions around the boron K (188 eV), carbon K (284.2 eV), and oxygen K (543.1 eV) absorption edges. The density, composition, surface chemistry, and morphology of the films were also investigated using Rutherford backscattering, x-ray photoelectron spectroscopy, atomic force microscopy, scanning electron microscopy, and extreme ultraviolet reflectance measurements.

  18. Electromagnetic properties and microstructures of in situ MgB2 wires made from three types of boron powders

    Science.gov (United States)

    Kodama, Motomune; Kotaki, Hiroshi; Yamamoto, Hiroyuki; Iwane, Tomohiro; Tanaka, Kazuhide; Tanaka, Hideki; Okishiro, Kenji; Okamoto, Kazutaka; Nishijima, Gen; Matsumoto, Akiyoshi; Kumakura, Hiroaki; Yamamoto, Akiyasu; Shimoyama, Jun-ichi; Kishio, Kohji

    2016-10-01

    In powder-in-tube processed MgB2 wires, the choice of boron powder as a starting material crucially affects their performance. In this paper, we prepared in situ MgB2 wires from three types of boron powders in various heat-treatment conditions and investigated their electromagnetic properties and microstructures. Their critical current density, J c, varied over a wide range from sample to sample. The difference in J c is understood to be caused by the effect of changes in the electrical connectivity, K, and intrinsic residual resistivity, ρ 0. Here, K represents the effective cross-sectional area for current, and ρ 0 reflects the degree of the charge carrier scattering caused by lattice defects. It was found that the use of boron powder with a large specific surface area leads to a large degree of lattice defects in MgB2 grains and enhances ρ 0, resulting in improving J c. The boron powder produced by thermal decomposition of B2H6 has a large specific surface area. Hence, this boron powder is the most suitable as a starting material for MgB2. Meanwhile, dry pulverization of low-cost boron powder, which is largely produced by active-metal reduction of B2O3, is also effective to increase its specific surface area without introducing impurities, resulting in the enhancement of J c in the entire magnetic field region. This finding broadens the choice of boron powder and contributes to realizing superconducting applications with excellent balance between performance and cost.

  19. Engineering the work function of buckled boron α-sheet by lithium adsorption: a first-principles investigation.

    Science.gov (United States)

    Zheng, Bing; Yu, Hai-tao; Xie, Ying; Lian, Yong-fu

    2014-11-26

    First-principles density functional theory calculations were performed to study the effect of Li adsorption on the structural and electronic properties, particularly the work function, of boron α-sheet. The calculated binding energies indicated that boron α-sheet could be well stabilized by the adsorption of Li atoms. Furthermore, the work functions of Li-adsorbed boron α-sheets were observed to decrease drastically with increasing Li coverage. The work functions are lower than that of Mg and even, for some of them, lower than that of Ca, indicating a considerable potential application of Li-adsorbed boron α-sheets as field-emission and electrode materials. Based on the calculated geometric and electronic structures, we discuss in details some possible aspects affecting the work function. The Li coverage dependence of the work functions of Li-adsorbed boron α-sheets was further confirmed by electrostatic potential analyses. The relationship between the work function variation and the Fermi and vacuum energy level shifts was also discussed, and we observed that the variation of the work function is primarily associated with the shift of the Fermi energy level. It is the surface dipole formed by the interaction between adatoms and substrate that should be responsible for the observed variation of the work function, whereas the increasing negative charge and rumpling for boron α-sheet only play minor roles. Additionally, the effect of Li adatoms on the work function of boron α-sheet was confirmed to be much stronger than that of graphene or a graphene double layer.

  20. Dietary boron: progress in establishing essential roles in human physiology.

    Science.gov (United States)

    Hunt, Curtiss D

    2012-06-01

    This review summarizes the progress made in establishing essential roles for boron in human physiology and assesses that progress in view of criteria for essentiality of elements. The evidence to date suggests that humans and at least some higher animals may use boron to support normal biological functions. These include roles in calcium metabolism, bone growth and maintenance, insulin metabolism, and completion of the life cycle. The biochemical mechanisms responsible for these effects are poorly understood but the nature of boron biochemistry suggests further characterization of the cell signaling molecules capable of complexing with boron. Such characterization may provide insights into the biochemical function(s) of boron in humans.

  1. Low pressure growth of cubic boron nitride films

    Science.gov (United States)

    Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

    1997-01-01

    A method for forming thin films of cubic boron nitride on substrates at low pressures and temperatures. A substrate is first coated with polycrystalline diamond to provide a uniform surface upon which cubic boron nitride can be deposited by chemical vapor deposition. The cubic boron nitride film is useful as a substitute for diamond coatings for a variety of applications in which diamond is not suitable. any tetragonal or hexagonal boron nitride. The cubic boron nitride produced in accordance with the preceding example is particularly well-suited for use as a coating for ultra hard tool bits and abrasives, especially those intended to use in cutting or otherwise fabricating iron.

  2. Nuclear quadrupole resonance of boron in borate glasses

    Science.gov (United States)

    Gravina, Samuel J.; Bray, Phillip J.

    A continuous wave nuclear quadrupole resonance spectrometer that has a high sensitivity even at low frequencies has been built. Boron and aluminum NQR has been detected in the region 200 kHz to 1.4 MHz. For the first time, boron NQR has been detected in a glass. The NQR spectrum of pure B 20 3 glass is consistent with 85 ± 2% of the boron atoms belonging to boroxol rings. In sodium borate glasses, the number of borons in boroxol rings decreases with increasing sodium content, until when sodium oxide comprises 20 mol% of the glass less than 2% of the borons are in boroxol rings.

  3. Effective surface passivation of p-type crystalline silicon with silicon oxides formed by light-induced anodisation

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Jie, E-mail: j.cui@unsw.edu.au [School of Photovoltaic and Renewable Energy Engineering, The University of New South Wales, Sydney 2052 (Australia); Grant, Nicholas [Centre for Sustainable Energy Systems, Australian National University, Canberra, A.C.T. 0200 (Australia); Lennon, Alison [School of Photovoltaic and Renewable Energy Engineering, The University of New South Wales, Sydney 2052 (Australia)

    2014-12-30

    Highlights: • The surface passivation by anodic SiO{sub 2} formed by light-induced anodisation is investigated. • The anodic SiO{sub 2} grows lower temperatures with shorter growth times. After annealing in oxygen and then forming gas the effective minority carrier lifetime is increased to 150 μs. • It shows a very low positive Q{sub eff} of 3.4 × 10{sup 11} cm{sup −2}, a moderate D{sub it} of 6 × 10{sup 11} eV{sup −1} cm{sup −2}. • It has a very low leakage current density suggesting its application in solar cell as a functional dielectric. - Abstract: Electronic surface passivation of p-type crystalline silicon by anodic silicon dioxide (SiO{sub 2}) was investigated. The anodic SiO{sub 2} was grown by light-induced anodisation (LIA) in diluted sulphuric acid at room temperature, a process that is significantly less-expensive than thermal oxidation which is widely-used in silicon solar cell fabrication. After annealing in oxygen and then forming gas at 400 °C for 30 min, the effective minority carrier lifetime of 3–5 Ω cm, boron-doped Czochralski silicon wafers with a phosphorus-doped 80 Ω/□ emitter and a LIA anodic SiO{sub 2} formed on the p-type surface was increased by two orders of magnitude to 150 μs. Capacitance–voltage measurements demonstrated a very low positive charge density of 3.4 × 10{sup 11} cm{sup −2} and a moderate density of interface states of 6 × 10{sup 11} eV{sup −1} cm{sup −2}. This corresponded to a silicon surface recombination velocity of 62 cm s{sup −1}, which is comparable with values reported for other anodic SiO{sub 2} films, which required higher temperatures and longer growth times, and significantly lower than oxides grown by chemical vapour deposition techniques. Additionally, a very low leakage current density of 3.5 × 10{sup −10} and 1.6 × 10{sup −9} A cm{sup −2} at 1 and −1 V, respectively, was measured for LIA SiO{sub 2} suggesting its potential application as insulation layer in

  4. Ultrahard nanotwinned cubic boron nitride.

    Science.gov (United States)

    Tian, Yongjun; Xu, Bo; Yu, Dongli; Ma, Yanming; Wang, Yanbin; Jiang, Yingbing; Hu, Wentao; Tang, Chengchun; Gao, Yufei; Luo, Kun; Zhao, Zhisheng; Wang, Li-Min; Wen, Bin; He, Julong; Liu, Zhongyuan

    2013-01-17

    Cubic boron nitride (cBN) is a well known superhard material that has a wide range of industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by virtue of the Hall-Petch effect--the tendency for hardness to increase with decreasing grain size. Polycrystalline cBN materials are often synthesized by using the martensitic transformation of a graphite-like BN precursor, in which high pressures and temperatures lead to puckering of the BN layers. Such approaches have led to synthetic polycrystalline cBN having grain sizes as small as ∼14 nm (refs 1, 2, 4, 5). Here we report the formation of cBN with a nanostructure dominated by fine twin domains of average thickness ∼3.8 nm. This nanotwinned cBN was synthesized from specially prepared BN precursor nanoparticles possessing onion-like nested structures with intrinsically puckered BN layers and numerous stacking faults. The resulting nanotwinned cBN bulk samples are optically transparent with a striking combination of physical properties: an extremely high Vickers hardness (exceeding 100 GPa, the optimal hardness of synthetic diamond), a high oxidization temperature (∼1,294 °C) and a large fracture toughness (>12 MPa m(1/2), well beyond the toughness of commercial cemented tungsten carbide, ∼10 MPa m(1/2)). We show that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall-Petch effect below a critical grain size or the twin thickness of ∼10-15 nm found in metals and alloys.

  5. Transport properties of boron nanotubes investigated by ab initio calculation

    Institute of Scientific and Technical Information of China (English)

    Guo Wei; Hu Yi-Bin; Zhang Yu-Yang; Du Shi-Xuan; Gao Hong-Jun

    2009-01-01

    We investigate atomic and electronic structures of boron nanotubes (BNTs) by using the density functional theory(DFT). The transport properties of BNTs with different diameters and chiralities are studied by the Keldysh nonequi-librium Green function (NEGF) method. It is found that the cohesive energies and conductances of BNTs decrease as their diameters decrease. It is more difficult to form (N, 0) tubes than (M, M) tubes when the diameters of the two kinds of tubes are comparable. However, the (N, 0) tubes have a higher conductance than the (M, M) tubes. When the BNTs are connected to gold electrodes, the coupling between the BNTs and the electrodes will affect the transport properties of tubes significantly.

  6. Dynamical conductivity of boron carbide: heavily damped plasma vibrations.

    Science.gov (United States)

    Werheit, Helmut; Gerlach, Guido

    2014-10-22

    The FIR reflectivity spectra of boron carbide, measured down to ω~10 cm(-1) between 100 and 800 K, are essentially determined by heavily damped plasma vibrations. The spectra are fitted applying the classical Drude-Lorentz theory of free carriers. The fitting Parameter Π=ωp/ωτ yields the carrier densities, which are immediately correlated with the concentration of structural defects in the homogeneity range. This correlation is proved for band-type and hopping conductivity. The effective mass of free holes in the valence band is estimated at m*/me~2.5. The mean free path of the free holes has the order of the cell parameters.

  7. Graphene-like Boron-Carbon-Nitrogen Monolayers.

    Science.gov (United States)

    Beniwal, Sumit; Hooper, James; Miller, Daniel P; Costa, Paulo S; Chen, Gang; Liu, Shih-Yuan; Dowben, Peter A; Sykes, E Charles H; Zurek, Eva; Enders, Axel

    2017-03-28

    A strategy to synthesize a 2D graphenic but ternary monolayer containing atoms of carbon, nitrogen, and boron, h-BCN, is presented. The synthesis utilizes bis-BN cyclohexane, B2N2C2H12, as a precursor molecule and relies on thermally induced dehydrogenation of the precursor molecules and the formation of an epitaxial monolayer on Ir(111) through covalent bond formation. The lattice mismatch between the film and substrate causes a strain-driven periodic buckling of the film. The structure of the film and its corrugated morphology is discussed based on comprehensive data from molecular-resolved scanning tunneling microscopy imaging, X-ray photoelectron spectroscopy, low-energy electron diffraction, and density functional theory. First-principles calculations further predict a direct electronic band gap that is intermediate between gapless graphene and insulating h-BN.

  8. Electronic structure of spontaneously strained graphene on hexagonal boron nitride

    Science.gov (United States)

    San-Jose, Pablo; Gutiérrez-Rubio, A.; Sturla, Mauricio; Guinea, Francisco

    2014-09-01

    Hexagonal boron nitride substrates have been shown to dramatically improve the electric properties of graphene. Recently, it has been observed that when the two honeycomb crystals are close to perfect alignment, strong lattice distortions develop in graphene due to the moiré adhesion landscape. Simultaneously, a gap opens at the Dirac point. Here, we derive a simple low-energy electronic model for graphene aligned with the substrate, taking into account spontaneous strains at equilibrium and pseudogauge fields. We carry out a detailed characterization of the modified band structure, gap, local and global density of states, and band topology in terms of physical parameters. We show that the overall electronic structure is strongly modified by the spontaneous strains.

  9. Hierarchical supramolecules and organization using boronic acid building blocks.

    Science.gov (United States)

    Kubo, Yuji; Nishiyabu, Ryuhei; James, Tony D

    2015-02-07

    Current progress on hierarchical supramolecules using boronic acids has been highlighted in this feature article. Boronic acids can participate in "click reactions" with diols and their congeners with dynamic covalent functionality. By comprehensively exploring versatile sequential boronate esterification linkages between plural boronic acid-appended molecules and multiple hydroxyl counterparts, not only versatile supramolecular polymers but also structurally well-defined network nanostructures have been developed. In addition orthogonal interactions such as dative bonds of the boron center with Lewis bases have led to the formation of hierarchical nano/microstructures. Boronate systems have the potential to be used as materials for smart gels, chemosensors, active architectures for electronics, heterogeneous catalysts, chemical-stimulus responsive systems for drug delivery, etc. Here, we fully discuss the feasibility of the structure-directing ability of boronic acids from the standpoint of the generation of new smart materials.

  10. Temperature-controlled colossal magnetoresistance and perfect spin Seebeck effect in hybrid graphene/boron nitride nanoribbons.

    Science.gov (United States)

    Zhu, Lin; Li, Ruimin; Yao, Kailun

    2017-02-01

    Thermal spin transport properties of graphene and hexagonal boron nitride nanoribbon heterojunctions have been investigated using density functional theory calculations combined with the Keldysh nonequilibrium Green's function approach. The results showed that the perfect spin Seebeck effect and analogy negative differential thermoelectric resistance occurred in the device under a temperature difference without a gate or bias voltage. An intriguing thermally induced colossal magnetoresistance without gate regulation was also observed, which can be switched between a positive and negative value with temperature control. It was also found that the unit number of zigzag graphene nanoribbons and boron nitride nanoribbons can tune the electronic band structure and the energy gap of the heterostructure, and then modulate the thermal spin transport properties. The results suggest that graphene and hexagonal boron nitride nanoribbon heterostructures may have potential applications in graphene-based nanodevices.

  11. First-principles calculations on the structure and electronic properties of boron doping zigzag single-walled carbon nanotubes

    Institute of Scientific and Technical Information of China (English)

    WEN QingBo; YU ShanSheng; ZHENG WeiTao

    2009-01-01

    Calculations have been made for single-walled zigzag (n, 0) carbon nanotubes containing substitutional boron impurity atoms using ab initio density functional theory. It is found that the formation energies of these nanotubes depend on the tube diameter, as do the electronic properties, and show periodic fea-ture that results from their different π bonding structures compared to those of perfect zigzag carbon nanotubes. When more boron atoms are incorporated into a single-walled zigzag carbon nanotube, the substitutional boron atoms tend to come together to form structure of BC3 nanodomains, and B-doped tubes have striking acceptor states above the top of the valence bands. For the structure of BC3, there are two kinds of configurations with different electronic structures.

  12. Influence of Boron Substitution on Conductance of Pyridine- and Pentane-Based Molecular Single Electron Transistors: First-Principles Analysis

    Science.gov (United States)

    Srivastava, Anurag; Santhibhushan, B.; Sharma, Vikash; Kaur, Kamalpreet; Shahzad Khan, Md.; Marathe, Madura; De Sarkar, Abir; Shahid Khan, Mohd.

    2016-04-01

    We have investigated the modeling of boron-substituted molecular single-electron transistor (SET), under the influence of a weak coupling regime of Coulomb blockade between source and drain metal electrodes. The SET consists of a single organic molecule (pyridine/pentane/1,2-azaborine/butylborane) placed over the dielectric, with boron (B) as a substituent. The impact of B-substitution on pyridine and pentane molecules in isolated, as well as SET, environments has been analyzed by using density functional theory-based ab initio packages Atomistix toolkit-Virtual NanoLab and Gaussian03. The performance of proposed SETs was analyzed through charging energies, total energy as a function of gate potential and charge stability diagrams. The analysis confirms that the B-substituted pentane (butylborane) and the boron-substituted pyridine (1,2-azaborine) show remarkably improved conductance in SET environment in comparison to simple pyridine and pentane molecules.

  13. First-principles calculations on the structure and electronic properties of boron doping zigzag single-walled carbon nanotubes

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Calculations have been made for single-walled zigzag(n,0) carbon nanotubes containing substitutional boron impurity atoms using ab initio density functional theory.It is found that the formation energies of these nanotubes depend on the tube diameter,as do the electronic properties,and show periodic fea-ture that results from their different π bonding structures compared to those of perfect zigzag carbon nanotubes.When more boron atoms are incorporated into a single-walled zigzag carbon nanotube,the substitutional boron atoms tend to come together to form structure of BC3 nanodomains,and B-doped tubes have striking acceptor states above the top of the valence bands.For the structure of BC3,there are two kinds of configurations with different electronic structures.

  14. Bulk nano-crystalline alloys

    OpenAIRE

    T.-S. Chin; Lin, C. Y.; Lee, M.C.; R.T. Huang; S. M. Huang

    2009-01-01

    Bulk metallic glasses (BMGs) Fe–B–Y–Nb–Cu, 2 mm in diameter, were successfully annealed to become bulk nano-crystalline alloys (BNCAs) with α-Fe crystallite 11–13 nm in size. A ‘crystallization-and-stop’ model was proposed to explain this behavior. Following this model, alloy-design criteria were elucidated and confirmed successful on another Fe-based BMG Fe–B–Si–Nb–Cu, 1 mm in diameter, with crystallite sizes 10–40 nm. It was concluded that BNCAs can be designed in general by the proposed cr...

  15. Relationship Between Soil Boron Adsorption Kinetics and Rape Plant Boron Response

    Institute of Scientific and Technical Information of China (English)

    ZHUDUANWEI; PIMEIMEI; 等

    1997-01-01

    The boron adsorption kinetic experiment in soil by means a flow displacement technique showed that the kinetic data could be described with some mathematic equations.The average values of the coorealtion coefficeint for zero-order,first-order,parabolic diffusion ,Elovich,power function and eponential equations were 0.957,0.982,0.981,0.984,0.981 and 0.902 ,respectively,The correlation between adsorbed boron or its other expression form and time were the highest for first-order ,parabloic diffusion Elovich,and pwer function equations,the second for the zeroorder equation,and the tlowest for the exponential equation.The parabloic diffusion equation fitted well the expermiental results,with the least standard error among the six kinetic equation,showing that the monvemetn of boron from soil solution to soil colloid surface may be controlled by boron diffusion speed.The boron content of rape seedling obtained from soil cultvation was correlated with the rate constants of the kinetic equations.The constants of first-order ,parabloic diffusion,and exponential equaitions were significanlty correlated with the boron content of the crop of NPK treatment at a 95% probaility level ,with correation coeffecients being 0.686,0.691 and 0.64 and 0.641,respectively.In the case of zero-order equation,it Was significant at 99% probability level(r=0.736),These results showed that the adsorption kinetic constants of soil boron were closely related with the rape plant response to boron.

  16. Properties of boron and phosphorous incorporated tetrahedral amorphous carbon films grown using filtered cathodic vacuum arc process

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, O.S., E-mail: ospanwar@mail.nplindia.ernet.in [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India); Khan, Mohd Alim [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India); Satyanarayana, B.S. [40, Sreeniketan, NDSE 24, New Delhi 110096 (India); Kumar, Sushil; Ishpal [Plasma Processed Materials Group, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Road, New Delhi 110012 (India)

    2010-04-15

    This paper reports the electrical, mechanical, structural and field emission properties of as grown and also boron and phosphorous incorporated tetrahedral amorphous carbon (ta-C) films, deposited using a filtered cathodic vacuum arc process. The effect of varying boron and phosphorous content (up to 2.0 at.% in to ta-C) on the conductivity ({sigma}{sub D}), activation energy ({Delta}E{sub 1}), hardness, microstructure, emission threshold (E{sub turn-ON}) and emission current density (J) at 12.5 V/{mu}m of ta-C: B and ta-C: P films deposited at a high negative substrate bias of -300 V are reported. It is observed that both boron and phosphorous incorporation leads to a nearly an order increase in {sigma}{sub D} and corresponding decrease in {Delta}E{sub 1} and a slight increase in hardness as compared to as grown ta-C films. In the case of field assisted electron emission, it is observed that E{sub turn-ON} increases and J decreases. The changes are attributed to the changes in the sp{sup 3}/sp{sup 2} ratio of the films due to boron and phosphorous incorporation. The effect of boron on ta-C is to give a p-type effect whereas the effect of phosphorous gives n-type doping effect.

  17. Multi-dimensional boron transport modeling in subchannel approach: Part II. Validation of CTF boron tracking model and adding boron precipitation model

    Energy Technology Data Exchange (ETDEWEB)

    Ozdemir, Ozkan Emre, E-mail: ozdemir@psu.edu; Avramova, Maria N., E-mail: mna109@psu.edu

    2014-10-15

    Highlights: • Validation of implemented multi-dimensional subchannel boron transport model. • Extension of boron transport model to entrained droplets. • Implementation of boron precipitation model. • Testing of the boron precipitation model under transient condition. - Abstract: The risk of small-break loss of coolant accident (SB-LOCA) and other reactivity initiated transients caused by boron dilution in the light water reactors (LWRs), and the complications of tracking the soluble boron concentration experimentally inside the primary coolant have stimulated the interest in computational studies for accurate boron tracking simulations in nuclear reactors. In Part I of this study, the development and implementation of a multi-dimensional boron transport model with modified Godunov scheme based on a subchannel approach within the COBRA-TF (CTF) thermal-hydraulic code was presented. The modified Godunov scheme approach with a physical diffusion term was determined to provide the most accurate and precise solution. Current paper extends these conclusions and presents the model validation studies against experimental data from the Rossendorf coolant mixing model (ROCOM) test facility. In addition, the importance of the two-phase flow characteristics in modeling boron transient are emphasized, especially during long-term cooling period after the loss of coolant accident (LOCA) condition in pressurized water reactors (PWRs). The CTF capabilities of boron transport modeling are further improved based on the three-field representation of the two-phase flow utilized in the code. The boron transport within entrained droplets is modeled, and a model for predicting the boron precipitation under transient conditions is developed and tested. It is aimed to extend the applicability of CTF to reactor transient simulations, and particularly to a large-break loss of coolant accident (LB-LOCA) analysis.

  18. Characterization of single crystalline ZnTe and ZnSe grown by vapor phase transport

    Energy Technology Data Exchange (ETDEWEB)

    Trigubo, A B; Di Stefano, M C [FRBA-UTN, (1179) Buenos Aires (Argentina); Aguirre, M H [Dpto de Quim Inorg, Fac de Cs Quim, Univ Complutense, (28040) Madrid (Spain); Martinez, A M; D' Elia, R; Canepa, H; Heredia, E, E-mail: atrigubo@citefa.gov.a [CINSO-CITEFA: (1603) Villa Martelli, Pcia de Buenos Aires (Argentina)

    2009-05-01

    Tubular furnaces were designed and built to obtain single crystalline ZnTe and ZnSe ingots using respectively physical and chemical transport methods. Different temperature profiles and growth rates were analyzed in order to optimize the necessary crystalline quality for device development. Optical and scanning electron micrographs of the corrosion figures produced by chemical etching were used to obtain the dislocation density and the misorientation between adjacent subgrains in ZnTe and ZnSe wafers. Structural quality of the single crystalline material was determined by transmission electronic microscopy. Optical transmittance was measured by infrared transmission spectrometry and the resulting values were compared to commercial samples.

  19. Synthesis and evaluation of boron folates for Boron-Neutron-Capture-Therapy (BNCT)

    Energy Technology Data Exchange (ETDEWEB)

    Kettenbach, Kathrin; Schieferstein, Hanno; Grunewald, Catrin; Hampel, Gabriele; Schuetz, Christian L. [Mainz Univ. (Germany). Inst. of Nuclear Chemistry; Iffland, Dorothee; Bings, Nicolas H. [Mainz Univ. (Germany). Inst. of Inorganic Chemistry and Analytical Chemistry; Reffert, Laura M. [Hannover Medical School (Germany). Radiopharmaceutical Chemistry; Ross, Tobias L. [Mainz Univ. (Germany). Inst. of Nuclear Chemistry; Hannover Medical School (Germany). Radiopharmaceutical Chemistry

    2015-07-01

    Boron neutron capture therapy (BNCT) employs {sup 10}B-pharmaceuticals administered for the treatment of malignancies, and subsequently irradiated with thermal neutrons. So far, clinical established pharmaceuticals like boron phenylalanine (BPA) or sodium boron mercaptate (BSH) use imperfect (BPA) or passive (BSH) targeting for accumulation at target sites. Due to the need of a selective transportation of boron drugs into cancer cells and sparing healthy tissues, we combined the BNCT approach with the specific and effective folate receptor (FR) targeting concept. The FR is overexpressed on many human carcinomas and provides a selective and specific target for molecular imaging as well as for tumor therapy. We synthesized and characterized a carborane-folate as well as a BSH-folate to study their in vitro characteristics and their potential as new boron-carriers for BNCT. Uptake studies were carried out using human KB cells showing a significant increase of the boron content in cells and demonstrating the successful combination of active FR-targeting and BNCT.

  20. Rapid mass-spectrometric determination of boron isotopic distribution in boron carbide.

    Science.gov (United States)

    Rein, J E; Abernathey, R M

    1972-07-01

    Boron isotopic ratios are measured in boron carbide by thermionic ionization mass spectrometry with no prior chemical separation. A powder blend of boron carbide and sodium hydroxide is prepared, a small portion is transferred to a tantalum filament, the filament is heated to produce sodium borate, and the filament is transferred to the mass spectrometer where the(11)B/(10)B ratio is measured, using the Na(2)BO(2)(+) ion. Variables investigated for their effect on preferential volatilization of (10)B include the sodium hydroxide-boron carbide ratio and the temperature and duration of filament heating. A series of boron carbide pellets containing natural boron, of the type proposed for the control rods of the Fast Flux Test Facility reactor, were analysed with an apparently unbiased result of 4.0560 for the (11)B/(10)B ratio (standard deviation 0.0087). The pellets contained over 3% metal impurities typically found in this material. Time of analysis is 45 min per sample, with one analyst.

  1. The investigation of physical conditions of boron uptake region in proton boron fusion therapy (PBFT)

    Science.gov (United States)

    Jung, Joo-Young; Yoon, Do-Kun; Lee, Heui Chang; Lu, Bo; Suh, Tae Suk

    2016-09-01

    We conducted a quantitative study to identify the effectiveness of proton boron fusion therapy (PBFT). Four simulation scenarios were designed to investigate the escalation in total dose with the proton boron reaction using a Monte Carlo n-particle extended (MCNPX 2.6.0) simulation. The peak integrated dose was obtained for three different physical conditions (i.e., boron uptake region (BUR) thickness, BUR location, and boron concentration) with differing proton beam energy (60-90 MeV). We found that the peak integrated dose was increased by up to 96.62% compared to the pristine proton Bragg-peak. For the synergetic effect to take place with 60-70 MeV proton beam, the BUR had to be at least 0.3 cm thick while spanning the Bragg-peak. Similarly to the thickness, the BUR location needed to be within 0.3 cm from the Bragg-peak when the thickness was maintained at 0.9 cm. An effective proton boron reaction required the boron concentration to be equal to or greater than 14.4 mg/g. These results demonstrate the impact of various physical and beam conditions of the PBFT, which are critical environmental factors for the treatment planning. We envision that this study will advance our understanding of the PBFT, which can be an invaluable treatment method for maximizing the potential of proton therapy.

  2. The investigation of physical conditions of boron uptake region in proton boron fusion therapy (PBFT

    Directory of Open Access Journals (Sweden)

    Joo-Young Jung

    2016-09-01

    Full Text Available We conducted a quantitative study to identify the effectiveness of proton boron fusion therapy (PBFT. Four simulation scenarios were designed to investigate the escalation in total dose with the proton boron reaction using a Monte Carlo n-particle extended (MCNPX 2.6.0 simulation. The peak integrated dose was obtained for three different physical conditions (i.e., boron uptake region (BUR thickness, BUR location, and boron concentration with differing proton beam energy (60–90 MeV. We found that the peak integrated dose was increased by up to 96.62% compared to the pristine proton Bragg-peak. For the synergetic effect to take place with 60–70 MeV proton beam, the BUR had to be at least 0.3 cm thick while spanning the Bragg-peak. Similarly to the thickness, the BUR location needed to be within 0.3 cm from the Bragg-peak when the thickness was maintained at 0.9 cm. An effective proton boron reaction required the boron concentration to be equal to or greater than 14.4 mg/g. These results demonstrate the impact of various physical and beam conditions of the PBFT, which are critical environmental factors for the treatment planning. We envision that this study will advance our understanding of the PBFT, which can be an invaluable treatment method for maximizing the potential of proton therapy.

  3. The influence of polymerization rate on conductivity and crystallinity of electropolymerized polypyrrole

    DEFF Research Database (Denmark)

    Dyreklev, P.; Granström, M.; Inganäs, O.

    1996-01-01

    conductivity and increased crystallinity. The conductivity is also less temperature activated compared to that of the polymer grown at higher rate. X-ray diffractograms are compared to simulated diffraction data and the results are discussed in terms of increased order in the material. This may result from......We report studies on electronic conductivity and crystallinity in electropolymerized polypyrrole. Different growth rates during electropolymerization strongly influence and determine structural and electronic properties. Polymer films grown using low current density show higher electronic...

  4. Impact of internal crystalline boundaries on lattice thermal conductivity: Importance of boundary structure and spacing

    Energy Technology Data Exchange (ETDEWEB)

    Aghababaei, Ramin, E-mail: ramin.aghababaei@epfl.ch; Anciaux, Guillaume; Molinari, Jean-François [Computational Solid Mechanics Laboratory, Civil Engineering Institute (School of Architecture, Civil and Environmental Engineering), Institute of Materials (School of Engineering), Ecole Polytechnique Fédérale de Lausanne - EPFL, Lausanne (Switzerland)

    2014-11-10

    The low thermal conductivity of nano-crystalline materials is commonly explained via diffusive scattering of phonons by internal boundaries. In this study, we have quantitatively studied phonon-crystalline boundaries scattering and its effect on the overall lattice thermal conductivity of crystalline bodies. Various types of crystalline boundaries such as stacking faults, twins, and grain boundaries have been considered in FCC crystalline structures. Accordingly, the specularity coefficient has been determined for different boundaries as the probability of the specular scattering across boundaries. Our results show that in the presence of internal boundaries, the lattice thermal conductivity can be characterized by two parameters: (1) boundary spacing and (2) boundary excess free volume. We show that the inverse of the lattice thermal conductivity depends linearly on a non-dimensional quantity which is the ratio of boundary excess free volume over boundary spacing. This shows that phonon scattering across crystalline boundaries is mainly a geometrically favorable process rather than an energetic one. Using the kinetic theory of phonon transport, we present a simple analytical model which can be used to evaluate the lattice thermal conductivity of nano-crystalline materials where the ratio can be considered as an average density of excess free volume. While this study is focused on FCC crystalline materials, where inter-atomic potentials and corresponding defect structures have been well studied in the past, the results would be quantitatively applicable for semiconductors in which heat transport is mainly due to phonon transport.

  5. Tuning the electronic properties of armchair carbon nanoribbons by a selective boron doping

    Energy Technology Data Exchange (ETDEWEB)

    Navarro-Santos, P; Ricardo-Chavez, J L; Lopez-Sandoval, R [Instituto Potosino de Investigacion Cientifica y Tecnologica, Camino a la presa San Jose 2055, San Luis Potosi 78216 (Mexico); Reyes-Reyes, M [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, San Luis Potosi 78000 (Mexico); Rivera, J L, E-mail: sandov@ipicyt.edu.m [Facultad de Ingenieria Quimica, Universidad Michoacana de San Nicolas de Hidalgo, Santiago Tapia 403, Morelia, Michoacan, 58000 (Mexico)

    2010-12-22

    Armchair carbon nanoribbons (ACNRs) substitutionally doped with boron atoms are investigated in the framework of first-principles density functional theory. Different boron-boron arrangements and concentrations are considered in order to simulate possible aggregation patterns, their structural stability and electronic behavior are determined as a function of ribbon size. In agreement with previous studies, our results show that the dopant atoms have in general a preference for edge sites, but specific effects appear as a function of concentration that importantly modify the properties of the ribbons compared to the pristine case. Interesting tendencies are discovered as a function of dopant concentration that significantly affect the electronic properties of the ribbons. We have found that BC{sub 3} island formation and edge doping are the most important factors for the structural stabilization of the ribbons with high boron concentration (>7%) whereas for the cases of low boron concentrations (<5%) the structural stabilities are similar. For all the doped cases, we have found that the BC{sub 3} island patterns give rise to highly localized B states on top of the Fermi level, resulting in semiconducting behavior. On the other hand, when the average distance between the B atoms increases beyond island stoichiometry, the localization of their states is reduced and the ribbons may become metallic due to a band crossing caused by the lowering of the Fermi level resulting from the positive charge doping. Thus, tuning the dopant interaction would be an appropriate way to tailor the electronic properties of the ribbons in a convenient manner in view of potential technological applications.

  6. Refinement and carbon incorporation effects on the superconducting properties of MgB{sub 2} through wet milling process of low purity boron powder

    Energy Technology Data Exchange (ETDEWEB)

    Jun, Byung-Hyuk, E-mail: bhjun@kaeri.re.kr [Neutron Science Division, Korea Atomic Energy Research Institute (KAERI), Daejeon 305-353 (Korea, Republic of); Park, Soon-Dong; Kim, Chan-Joong [Neutron Science Division, Korea Atomic Energy Research Institute (KAERI), Daejeon 305-353 (Korea, Republic of)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Wet milling effects of B powder on the superconducting properties were investigated. Black-Right-Pointing-Pointer The C substitution for the B site in MgB{sub 2} occurred due to a toluene medium. Black-Right-Pointing-Pointer A shift of MgB{sub 2} peaks in XRD and a variation of J{sub c}-B slopes proved C incorporation. Black-Right-Pointing-Pointer The B particle size reduction could induce a small grain size in the MgB{sub 2} formation. Black-Right-Pointing-Pointer J{sub c} and H{sub c2} were enhanced by increased grain boundary pinning and lattice disorder. - Abstract: The wet milling effects of boron (B) powder on the full width at half maximum (FWHM) value of X-ray reflexes, grain size, carbon (C) substitution, critical temperature (T{sub c}), critical current density (J{sub c}), irreversibility field (H{sub irr}), and upper critical field (H{sub c2}) have been investigated for MgB{sub 2} bulk superconductors. The semi-crystalline B powder with a low purity of 95-97% was refined with different milling times of 1 to 15 h using a toluene medium. As a result of B powder milling, the particle size of the B powder decreased and the semi-crystalline phase became an amorphous phase. As the milling time increased, T{sub c} of MgB{sub 2} bulk decreased by the deterioration of the crystallinity and J{sub c} increased over the applied magnetic fields. With the refinement of the B powder, the grain boundary pinning increased due to smaller MgB{sub 2} grain size. In addition, it was found that a C substitution for the B site occurred from a toluene medium during wet milling process. The increased electron scattering due to an increase of the defects like grain boundary and lattice disorder by C substitution led to enhance the superconducting properties with an increase of the FWHM value of the MgB{sub 2} peaks and a decrease of the T{sub c}. The MgB{sub 2} prepared from B powder mechanically milled for 7 h showed the highest magnetic

  7. Identification of a Novel System for Boron Transport: Atr1 Is a Main Boron Exporter in Yeast▿ †

    Science.gov (United States)

    Kaya, Alaattin; Karakaya, Huseyin C.; Fomenko, Dmitri E.; Gladyshev, Vadim N.; Koc, Ahmet

    2009-01-01

    Boron is a micronutrient in plants and animals, but its specific roles in cellular processes are not known. To understand boron transport and functions, we screened a yeast genomic DNA library for genes that confer resistance to the element in Saccharomyces cerevisiae. Thirty boron-resistant transformants were isolated, and they all contained the ATR1 (YML116w) gene. Atr1 is a multidrug resistance transport protein belonging to the major facilitator superfamily. C-terminal green fluorescent protein-tagged Atr1 localized to the cell membrane and vacuole, and ATR1 gene expression was upregulated by boron and several stress conditions. We found that atr1Δ mutants were highly sensitive to boron treatment, whereas cells overexpressing ATR1 were boron resistant. In addition, atr1Δ cells accumulated boron, whereas ATR1-overexpressing cells had low intracellular levels of the element. Furthermore, atr1Δ cells showed stronger boron-dependent phenotypes than mutants deficient in genes previously reported to be implicated in boron metabolism. ATR1 is widely distributed in bacteria, archaea, and lower eukaryotes. Our data suggest that Atr1 functions as a boron efflux pump and is required for boron tolerance. PMID:19414602

  8. Very Long Single and Few-Walled Boron Nitride Nanotubes via the Pressurized Vapor/Condenser Method

    Science.gov (United States)

    Smith, Michael W.; Jordan, Kevin C.; Park, Cheol; Kim, Jae-Woo; Lillehei, Peter T.; Crooks, Roy; Harrison, Joycelyn S.

    2009-01-01

    A new method for producing long, small diameter, single and few-walled, boron nitride nanotubes (BNNTs) in macroscopic quantities is reported. The pressurized vapor/condenser (PVC) method produces, without catalysts, highly crystalline, very long, small diameter, BNNTs. Palm-sized, cotton-like masses of BNNT raw material were grown by this technique and spun directly into centimeters-long yarn. Nanotube lengths were observed to be 100 times that of those grown by the most closely related method. Self-assembly and growth models for these long BNNTs are discussed.

  9. Boron nanoparticles inhibit turnour growth by boron neutron capture therapy in the murine B16-OVA model

    DEFF Research Database (Denmark)

    Petersen, Mikkel Steen; Petersen, Charlotte Christie; Agger, Ralf;

    2008-01-01

    Background: Boron neutron capture therapy usually relies on soluble, rather than particulate, boron compounds. This study evaluated the use of a novel boron nanoparticle for boron neutron capture therapy. Materials and Methods: Two hundred and fifty thousand B16-OVA tumour cells, pre......-incubated with boron nanoparticles for 12 hours, were injected subcutaneously into C57BL16J mice. The tumour sites were exposed to different doses of neutron radiation one, four, or eight days after tumour cell inoculation. Results: When the tumour site was irradiated with thermal neutrons one day after injection......, tumour growth was delayed and the treated mice survived longer than untreated controls (median survival time 20 days (N=8) compared with 10 days (N=7) for untreated mice). Conclusion: Boron nanoparticles significantly delay the growth of an aggressive B16-OVA tumour in vivo by boron neutron capture...

  10. Transfer Printed Crystalline Nanomembrane for Versatile Electronic Applications

    Science.gov (United States)

    Seo, Jung-Hun

    Flexible electronics have traditionally been addressed low-frequency applications, since the materials for the traditional flexible electronics, such as polymer and non-crystalline inorganic semiconductors, have poor electronic properties. Fast flexible electronics that operate at radio frequencies (RF), particularly at microwave frequencies, could lead to a number of novel RF applications where rigid chip-based solid-state electronics cannot easily fulfill. Single-crystal semiconductor nanomembranes (NM) that can be released from a number of wafer sources are mechanically very flexible yet exhibit outstanding electronic properties that are equivalent to their bulky counterparts. These thin flexible single-crystal materials can furthermore be placed, via transfer printing techniques, to nearly any substrate, including flexible polymers, thus creating the opportunity to realize RF flexible electronics. In this thesis, various RF transistors made of semiconductor NMs on plastic substrates will be discussed. In addition, as a photonic application, the demonstration of large-area Si NM surface normal ultra-compact photonic crystal reflectors fabricated using the laser interference lithography technique (LIL) will be discussed. Particularly, the mechanism of LIL and NM transfer without using an adhesive layer will be introduced and their optical performance will be addressed. Lastly, the realization of selective substitutional boron doping, using heavily doped Si NM as a doping source, will be discussed. A detailed mechanism using computational modeling and experimental analyses will be provided. The fabrication of high voltage diamond p-i diodes and their performance will be discussed.

  11. Composite Reinforcement using Boron Nitride Nanotubes

    Science.gov (United States)

    2016-11-15

    ApprovedOMB No. 0704-0188 The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for...nitride nanotubes change with the presence of atomic oxygen were also carried out. 15.  SUBJECT TERMS Nanotubes, Boron Nitride, Composites, Theoretical

  12. Pechmann Reaction Promoted by Boron Trifluoride Dihydrate

    Directory of Open Access Journals (Sweden)

    J. Mezger

    2005-08-01

    Full Text Available The Pechmann reaction of substituted phenols 1a-e with methyl acetoacetate (2 can be activated by boron trifluoride dihydrate (3 to give the corresponding 4-methyl- coumarin derivatives 4a-e in excellent yield (98-99 %.

  13. NEW ADVANCES IN BORON SOIL CHEMISTRY

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  14. New insight into pecan boron nutrition

    Science.gov (United States)

    Alternate bearing by individual pecan [Carya illinoinensis (Wangenh.) K. Koch] trees is problematic for nut producers and processors. There are many unknowns regarding alternate bearing physiology, such as the relationship between boron and fruit set, nutmeat quality, and kernel maladies. Evidence...

  15. NEW ADVANCES IN BORON SOIL CHEMISTRY - Paper

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  16. Catalytic Asymmetric Synthesis of Phosphine Boronates.

    Science.gov (United States)

    Hornillos, Valentín; Vila, Carlos; Otten, Edwin; Feringa, Ben L

    2015-06-26

    The first catalytic enantioselective synthesis of ambiphilic phosphine boronate esters is presented. The asymmetric boration of α,β-unsaturated phosphine oxides catalyzed by a copper bisphosphine complex affords optically active organoboronate esters that bear a vicinal phosphine oxide group in good yields and high enantiomeric excess. The synthetic utility of the products is demonstrated through stereospecific transformations into multifunctional optically active compounds.

  17. Boron carbide morphology changing under purification

    Science.gov (United States)

    Rahmatullin, I. A.; Sivkov, A. A.

    2015-10-01

    Boron carbide synthesized by using coaxial magnetoplasma accelerator with graphite electrodes was purified by two different ways. XRD-investigations showed content changing and respectively powder purification. Moreover TEM-investigations demonstrated morphology changing of product under purification that was discussed in the work.

  18. NEW ADVANCES IN BORON SOIL CHEMISTRY

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  19. NEW ADVANCES IN BORON SOIL CHEMISTRY - Paper

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  20. Novel Boron Based Multilayer Thermal Neutron Detector

    CERN Document Server

    SCHIEBER, M

    2010-01-01

    The detector contains four or more layers of natural Boron absorbing thermal neutrons. Thickness of a layer is 0.4 - 1.2 mg/cm2. The layers are deposited on one or on both sides of a metal surface used as contacts. Between the absorbing layers there are gas-filled gaps 3 - 6 mm thick. Electric field of 100 - 200 V/cm is applied to the gas-filled gaps. Natural Boron contains almost 20% of 10B isotope. When atoms of 10B capture a thermal neutron, nuclear reaction occurs, as a result of which two heavy particles - alpha particle and ion 7Li - from the thin absorber layer are emitted in opposing sides. One of the two particles penetrates into gas-filled gap between Boron layers and ionizes the gas. An impulse of electric current is created in the gas-filled gap actuated by the applied electric field. The impulse is registered by an electronic circuit. We have made and tested detectors containing from two to sixteen layers of natural Boron with an efficiency of thermal neutron registration from 2.9% to 12.5% accor...