Search results for: Boron Nitride Nanotube
123 Structural Study of Boron - Nitride Nanotube with Magnetic Resonance (NMR) Parameters Calculation via Density Functional Theory Method (DFT)
Authors: Asadollah Boshra, Ahmad Seif, Mehran Aghaei
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A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at 11B and 15N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and especially at the ends but the nuclei in a layer feel the same electrostatic environment. All of calculations carried out using Gaussian 98 Software package.
Keywords: Boron-nitride nanotube, Density Functional Theory, Nuclear Magnetic Resonance (NMR).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1926122 C4H6 Adsorption on the Surface of a BN Nanotube: DFT Studies
Authors: Maziar Noei
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Adsorption of a boron nitride nanotube (BNNT) was examined toward ethylacetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethylacetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si and Al atoms, the adsorption energy of ethylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about - 24.19kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for ethylacetylene and can be used in separation processes ethylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of ethylacetylene an electrical signal is generating directly and therefore can potentially be used for ethylacetylene sensors.
Keywords: Sensor, Nanotube, DFT, Ethylacetylene.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2572121 Density Functional Calculations of 27Al, 11B,and 14N and NQR Parameters in the (6, 0) BN_AlN Nanotube Junction
Authors: Morteza Farahani, Ahmad Seif, Asadallah Boshra, Hossein Aghaie
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Density functional theory (DFT) calculations were performed to calculate aluminum-27, boron-11, and nitrogen-14 quadrupole coupling constant (CQ) in the representative considered model of (6, 0) boron nitride-aluminum nitride nanotube junction (BN-AlNNT) for the first time. To this aim, 1.3 nm length of BNAlN consisting of 18 Al, 18 B, and 36 N atoms was selected where the end atoms capped by hydrogen atoms. The calculated CQ values for optimized BN-AlNNT system reveal different electrostatic environment in the mentioned system. The calculations were performed using the Gaussian 98 package of program.
Keywords: Nanotube Junction, Density functional, Nuclear Quadrupole Resonance.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1721120 Simulation of Hydrogenated Boron Nitride Nanotube’s Mechanical Properties for Radiation Shielding Applications
Authors: Joseph E. Estevez, Mahdi Ghazizadeh, James G. Ryan, Ajit D. Kelkar
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Radiation shielding is an obstacle in long duration space exploration. Boron Nitride Nanotubes (BNNTs) have attracted attention as an additive to radiation shielding material due to B10’s large neutron capture cross section. The B10 has an effective neutron capture cross section suitable for low energy neutrons ranging from 10-5 to 104 eV and hydrogen is effective at slowing down high energy neutrons. Hydrogenated BNNTs are potentially an ideal nanofiller for radiation shielding composites. We use Molecular Dynamics (MD) Simulation via Material Studios Accelrys 6.0 to model the Young’s Modulus of Hydrogenated BNNTs. An extrapolation technique was employed to determine the Young’s Modulus due to the deformation of the nanostructure at its theoretical density. A linear regression was used to extrapolate the data to the theoretical density of 2.62g/cm3. Simulation data shows that the hydrogenated BNNTs will experience a 11% decrease in the Young’s Modulus for (6,6) BNNTs and 8.5% decrease for (8,8) BNNTs compared to non-hydrogenated BNNT’s. Hydrogenated BNNTs are a viable option as a nanofiller for radiation shielding nanocomposite materials for long range and long duration space exploration.
Keywords: Boron Nitride Nanotube, Radiation Shielding, Young Modulus, Atomistic Modeling.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 6677119 Density Functional Calculations of N-14 andB-11 NQR Parameters in the H-capped (5, 5)Single-Wall BN Nanotube
Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie
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Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1783118 Evaluation of As-Cast U-Mo Alloys Processed in Graphite Crucible Coated with Boron Nitride
Authors: Kleiner Marques Marra, Tércio Pedrosa
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This paper reports the production of uranium-molybdenum alloys, which have been considered promising fuel for test and research nuclear reactors. U-Mo alloys were produced in three molybdenum contents: 5 wt.%, 7 wt.%, and 10 wt.%, using an electric vacuum induction furnace. A boron nitride-coated graphite crucible was employed in the production of the alloys and, after melting, the material was immediately poured into a boron nitride-coated graphite mold. The incorporation of carbon was observed, but it happened in a lower intensity than in the case of the non-coated crucible/mold. It is observed that the carbon incorporation increased and alloys density decreased with Mo addition. It was also noticed that the increase in the carbon or molybdenum content did not seem to change the as-cast structure in terms of granulation. The three alloys presented body-centered cubic crystal structure (g phase), after solidification, besides a seeming negative microsegregation of molybdenum, from the center to the periphery of the grains. There were signs of macrosegregation, from the base to the top of the ingots.
Keywords: Incorporation of carbon, macrosegregation and microsegregation, solidification, uranium-molybdenum alloys.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 614117 Properties of Al2O3 – hBN Composites
Authors: K. Broniszewski, J. Woźniak, K. Czechowski, P. Orłowski, A. Olszyna
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Alumina matrix composites with addition of hexagonal boron nitride (hBN), acting as solid lubricant, were produced. Main purpose of solid lubricants is to dispose the necessity of using cooling lubricants in machining process. Hot pressing was used as a consolidating process for Al2O3-x%wt.hBN (x=1/ 2,5/ 5 /7,5 /10) composites. Properties of sinters such as relative density, hardness, Young-s modulus and fracture toughness were examined. Obtained samples characterize by high relative density. Hardness and fracture toughness values allow the use of alumina – hBN composites for machining steels even in hardened condition. However it was observed that high weight content of hBN can negatively influence the mechanical properties of composites.
Keywords: Alumina. Composites, Hexagonal boron nitride, Machining
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2670116 Parametric Study on Grindability of GFRP Laminates Using Different Abrasives
Authors: P. Chockalingam, C. K. Kok, T. R. Vijayaram
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A study on grindability of chopped strand mat glass fiber reinforced polymer laminates (CSM GFRP) have been carried out to evaluate the significant parameters on wheel performance. Performance of Aluminum oxide and c-BN wheels during grinding of CSM GFRP laminate was evaluated in terms of grinding force and surface roughness during grinding. The cubic Boron Nitride wheel experiences higher tangential grinding forces components and lower normal force component than Aluminum oxide grinding wheels. In case of surface finish, Aluminum oxide grinding wheels outdo the cubic Boron Nitride grinding wheels.
Keywords: Grinding, glass fiber reinforced polymer laminates, grinding force, surface finish.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1778115 Graphene/h-BN Heterostructure Interconnects
Authors: Nikhil Jain, Yang Xu, Bin Yu
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The material behavior of graphene, a single layer of carbon lattice, is extremely sensitive to its dielectric environment. We demonstrate improvement in electronic performance of graphene nanowire interconnects with full encapsulation by lattice-matching, chemically inert, 2D layered insulator hexagonal boron nitride (h- BN). A novel layer-based transfer technique is developed to construct the h-BN/MLG/h-BN heterostructures. The encapsulated graphene wires are characterized and compared with that on SiO2 or h-BN substrate without passivating h-BN layer. Significant improvements in maximum current-carrying density, breakdown threshold, and power density in encapsulated graphene wires are observed. These critical improvements are achieved without compromising the carrier transport characteristics in graphene. Furthermore, graphene wires exhibit electrical behavior less insensitive to ambient conditions, as compared with the non-passivated ones. Overall, h-BN/graphene/h- BN heterostructure presents a robust material platform towards the implementation of high-speed carbon-based interconnects.Keywords: Two-dimensional nanosheet, graphene, hexagonal boron nitride, heterostructure, interconnects.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1694114 Insertion of Thiazolidinediones into Carbon Nanotube
Authors: Behnoush Zare, Mojdeh Akhavan, Ahmad Reza Dehpour
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In this study we investigate the insertion of pioglitazone, a Thiazolidinedione, into the two different sizes of Carbon nanotub. It was shown that the insertion of pioglitazone into the carbon nanotube in a water solute environment could be related to the diameter of the nanotube and in the flow of the waters via hydrophilic interactions. This encapsulated drug-carbon nanotube molecule can be further applicable in other investigations in target therapy with these agents regarding to reduce their potential toxic effects.Keywords: Carbon Nanotube, MD Simulation, Thiazolidinedions
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1827113 Comparison of Chemical Coagulation and Electrocoagulation for Boron Removal from Synthetic Wastewater Using Aluminium
Authors: Kartikaningsih Danis, Yao-Hui Huang
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Various techniques including conventional and advanced have been employed for the boron treatment from water and wastewater. The electrocoagulation involves an electrolytic reactor for coagulation/flotation with aluminium as anode and cathode. There is aluminium as coagulant to be used for removal which may induce secondary pollution in chemical coagulation. The purpose of this study is to investigate and compare the performance between electrocoagulation and chemical coagulation on boron removal from synthetic wastewater. The effect of different parameters, such as pH reaction, coagulant dosage, and initial boron concentration were examined. The results show that the boron removal using chemical coagulation was lower. At the optimum condition (e.g. pH 8 and 0.8 mol coagulant dosage), boron removal efficiencies for chemical coagulation and electrocoagulation were 61% and 91%, respectively. In addition, the electrocoagulation needs no chemical reagents and makes the boron treatment easy for application.
Keywords: Electrocoagulation, chemical coagulation, aluminum electrode, boron removal.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1739112 Removal of Boron from Waste Waters by Ion- Exchange in a Batch System
Authors: Pelin Demirçivi, Gülhayat Nasün-Saygılı
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Boron minerals are very useful for various industrial activities, such as glass industry and detergent industry, due to its mechanical and chemical properties. During the production of boron compounds, many of these are introduced into the environment in the form of waste. Boron is also an important micro nutrient for the plants to vegetate but if it exists in high concentrations, it could have toxic effects. The maximum boron level in drinking water for human health is given as 0.3 mg/L in World Health Organization (WHO) standards. The toxic effects of boron should be noted especially for dry regions, thus, in recent years, increasing attention has been paid to remove the boron from waste waters. In this study, boron removal is implemented by ion exchange process using Amberlite IRA-743 resin. Amberlite IRA-743 resin is a boron specific resin and it belongs to the polymerizate sorbent group within the aminopolyol functional group. Batch studies were performed to investigate the effects of various experimental parameters, such as adsorbent dose, initial concentration and pH, on the removal of boron. It is found that, when the adsorbent dose increases removal of boron from the liquid phase increases. However, an increase in the initial concentration decreases the removal of boron. The effective pH values for removal of boron are determined between 8.5 and 9. Equilibrium isotherms were also analyzed by Langmuir and Freundlich isotherm models. The Langmuir isotherm is obeyed better than the Freundlich isotherm.Keywords: Amberlite resin, boron removal, ion exchange, isotherm models.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2422111 Influence of Boron Doping and Thermal Treatment on Internal Friction of Monocrystalline Si1-xGex(x≤0,02) Alloys
Authors: I. Kurashvili, G. Darsavelidze, G. Bokuchava, A. Sichinava, I. Tabatadze
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The impact of boron doping on the internal friction (IF) and shear modulus temperature spectra of Si1-xGex(x≤0,02) monocrsytals has been investigated by reverse torsional pendulum oscillations characteristics testing. At room temperatures, microhardness and indentation modulus of the same specimens have been measured by dynamic ultra microhardness tester. It is shown that boron doping causes two kinds effect: At low boron concentration (~1015 cm-3) significant strengthening is revealed, while at the high boron concentration (~1019 cm-3) strengthening effect and activation characteristics of relaxation origin IF processes are reduced.
Keywords: Dislocation, internal friction, microhardness, relaxation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1005110 Pioneer Synthesis and Characterization of Boron Containing Hard Materials
Authors: G. Çelik Gül, F. Kurtuluş
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The first laboratory synthesis of hard materials such as diamond proceeded to attack of developing materials with high hardness to compete diamond. Boron rich solids are good candidates owing to their short interatomic bond lengths and strong covalent character. Boron containing hard material was synthesized by modifiedmicrowave method under nitrogen atmosphere by using a fuel (glycine or urea), amorphous boron and/or boric acid in appropriate molar ratio. Characterizations were done by x-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy/energy dispersive analyze (SEM/EDS), thermo gravimetric/differential thermal analysis (TG/DTA).Keywords: Boron containing materials, hard materials, microwave synthesis, powder X-ray diffraction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2182109 The Effect of Solution Density on the Synthesis of Magnesium Borate from Boron-Gypsum
Authors: N. Tugrul, E. Sariburun, F. T. Senberber, A. S. Kipcak, E. Moroydor Derun, S. Piskin
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Boron-gypsum is a waste which occurs in the boric acid production process. In this study, the boron content of this waste is evaluated for the use in synthesis of magnesium borates and such evaluation of this kind of waste is useful more than storage or disposal. Magnesium borates, which are a sub-class of boron minerals, are useful additive materials for the industries due to their remarkable thermal and mechanical properties. Magnesium borates were obtained hydrothermally at different temperatures. Novelty of this study is the search of the solution density effects to magnesium borate synthesis process for the increasing the possibility of borongypsum usage as a raw material. After the synthesis process, products are subjected to XRD and FT-IR to identify and characterize their crystal structure, respectively.
Keywords: Boron-gypsum, hydrothermal synthesis, magnesium borate, solution density.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2159108 Effects of Boron Compounds in Rabbits Fed High Protein and Energy Diet: A Metabolomic and Transcriptomic Approach
Authors: N. Baspinar, A. Basoglu, O. Ozdemir, C. Ozel, F. Terzi, O. Yaman
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Current research is targeting new molecular mechanisms that underlie non-alcoholic fatty liver disease (NAFLD) and associated metabolic disorders like non-alcoholic steatohepatitis (NASH). Forty New Zealand White rabbits have been used and fed a high protein (HP) and energy diet based on grains and containing 11.76 MJ/kg. Boron added to 3 experimental groups’ drinking waters (30 mg boron/L) as boron compounds. Biochemical analysis including boron levels, and nuclear magnetic resonance (NMR) based metabolomics evaluation, and mRNA expression of peroxisome proliferator-activated receptor (PPAR) family was performed. LDLcholesterol concentrations alone were decreased in all the experimental groups. Boron levels in serum and feces were increased. Content of acetate was in about 2x higher for anhydrous borax group, at least 3x higher for boric acid group. PPARα mRNA expression was significantly decreased in boric acid group. Anhydrous borax attenuated mRNA levels of PPARγ, which was further suppressed by boric acid. Boron supplementation decreased the degenerative alterations in hepatocytes. Except borax group other boron groups did not have a pronounced change in tubular epithels of kidney. In conclusion, high protein and energy diet leads hepatocytes’ degenerative changes which can be prevented by boron supplementation. Boric acid seems to be more effective in this situation.Keywords: High protein and energy diet, boron, metabolomic, transcriptomic.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1997107 Conversion of Methanol to Propylene over a High Silica B-HZSM-5 Catalyst
Authors: Aina Xu, Hongfang Ma, Haitao Zhang, Weiyong Ying, Dingye Fang
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Hydrothermally synthesized high silica borosilicates with the MFI structure was subjected to several characterization techniques. The effect of boron on the structure and acidity of HZSM-5 catalyst were studied by XRD, SEM, N2 adsorption, solid state NMR, NH3-TPD. It was confirmed that boron had entered the framework in the boron samples. The results also revealed that strong acidity was weakened and weak acidity was strengthened by the boron added zeolite framework compared with parent catalyst. The catalytic performance was carried out in a fixed bed at 460°C for methanol to propylene (MTP) reaction. The results of MTP reaction showed a great increment of the propylene selectivity and excellent stability for the B-HZSM-5. The catalyst exhibited about 81% selectivity to C2 = - C4 = olefins with 40% selectivity of propylene as major component at near 100% methanol conversion, and the stable performance in the studied period was 100h.Keywords: Methanol to propylene, HZSM-5, boron.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3567106 Lithium Oxide Effect on the Thermal and Physical Properties of the Ternary System Glasses (Li2O3-B2O3-Al2O3)
Authors: D. Aboutaleb, B. Safi
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The borate glasses are known by their structural characterized by existence of unit’s structural composed by triangles and tetrahedrons boron in different configurations depending on the percentage of B2O3 in the glass chemical composition. In this paper, effect of lithium oxide addition on the thermal and physical properties of an alumina borate glass, was investigated. It was found that the boron abnormality has a significant effect in the change of glass properties according to the addition rate of lithium oxide.
Keywords: Borate glasses, triangles and tetrahedrons boron, Lithium oxide, Boron anomaly, thermal properties, physical properties.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2926105 Investigation of Chlorophylls a and b Interaction with Inner and Outer Surfaces of Single-Walled Carbon Nanotube Using Molecular Dynamics Simulation
Authors: M. Dehestani, M. Ghasemi-Kooch
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In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.
Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 897104 Molecular Dynamics Analysis onI mpact Behaviour of Carbon Nanotubes and Graphene Sheets
Authors: Sajjad Seifoori
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Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).Keywords: Impact, molecular dynamic, graphene, nanotube.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1080103 Thermal Property of Multi-Walled-Carbon-Nanotube Reinforced Epoxy Composites
Authors: Min Ye Koo, Gyo Woo Lee
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In this study, epoxy composite specimens reinforced with multi-walled carbon nanotube filler were fabricated using shear mixer and ultra-sonication processor. The mechanical and thermal properties of the fabricated specimens were measured and evaluated. From the electron microscope images and the results from the measurements of tensile strengths, the specimens having 0.6 wt% nanotube content show better dispersion and higher strength than those of the other specimens. The Young’s moduli of the specimens increased as the contents of the nanotube filler in the matrix were increased. The specimen having a 0.6 wt% nanotube filler content showed higher thermal conductivity than that of the other specimens. While, in the measurement of thermal expansion, specimens having 0.4 and 0.6 wt% filler contents showed a lower value of thermal expansion than that of the other specimens. On the basis of the measured and evaluated properties of the composites, we believe that the simple and time-saving fabrication process used in this study was sufficient to obtain improved properties of the specimens.
Keywords: Carbon Nanotube Filler, Epoxy Composite, Ultra-Sonication, Shear Mixer, Mechanical Property, Thermal Property.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2666102 Assessment of Resistance of Wheat Genotypes (T. aestivum and T. durum) To Boron Toxicity
Authors: M. Rüştü Karaman, Mehmet Zengin, Ayhan Horuz
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Research on the boron (B) toxicity problems had recently considerable relation, especially in the dry regions of the world. Development of resistant varieties to B toxicity is a high priority on these regions, where the soils have high levels of B. Thus, this study aimed to assessment the resistance of wheat genotypes to B toxicity using the agronomic and physiologic parameters. For this aim, a pot experiment, based on a completely randomized design with three replications, was conducted using the soil of calcareous usthochrepts. In the study, twenty different wheat genotypes of T. aestivum and T. Durum were used. Boron fertilizer at the levels of 0 (-B), 30 mg B kg-1 (+B) as H3BO3 was applied to the pots. After harvest, plant dry matter yield was recorded, and total B concentrations in tops of wheat plants were determined. The results have revealed the existence of a large genotypic variation among wheat genotypes to their physiologic and agronomic susceptibility to B toxicity.
Keywords: Boron, B toxicity, B uptake, wheat genotypes.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1449101 Molecular Dynamics of Fatty Acid Interacting with Carbon Nanotube as Selective Device
Authors: David L. Azevedo, Jordan Del Nero
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In this paper we study a system composed by carbon nanotube (CNT) and bundle of carbon nanotube (BuCNT) interacting with a specific fatty acid as molecular probe. Full system is represented by open nanotube (or nanotubes) and the linoleic acid (LA) relaxing due the interaction with CNT and BuCNT. The LA has in his form an asymmetric shape with COOH termination provoking a close BuCNT interaction mainly by van der Waals force field. The simulations were performed by classical molecular dynamics with standard parameterizations. Our results show that these BuCNT and CNT are dynamically stable and it shows a preferential interaction position with LA resulting in three features: (i) when the LA is interacting with CNT and BuCNT (including both termination, CH2 or COOH), the LA is repelled; (ii) when the LA terminated with CH2 is closer to open extremity of BuCNT, the LA is also repelled by the interaction between them; and (iii) when the LA terminated with COOH is closer to open extremity of BuCNT, the LA is encapsulated by the BuCNT. These simulations are part of a more extensive work on searching efficient selective molecular devices and could be useful to reach this goal.Keywords: Carbon Nanotube, Linoleic Acid, MolecularDynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1681100 Field Emission Properties of Multi-wall Carbon Nanotube Field Emitters using Graphite Tip by Electroporetic Deposition
Authors: Gui Sob Byun, Yang Doo Lee, Kyong Soo Lee, Keun Soo Lee, Sun-Woo Park, Byeong Kwon Ju
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We fabricated multi-walled carbon nanotube (MCNT) emitters by an electroporetic deposition (EPD) method using a MCNT-sodium dodecyl sulfate (SDS) suspension. MCNT films were prepared on graphite tip using EPD. We observe field emission properties of MCNT film after heat treatment. Consequently, The MCNT film on graphite tip exhibit good electron emission current.Keywords: Field emission, Multi-wall carbon-nanotube (MCNT), Electrophoretic deposition (EPD)
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 141199 Buckling Analysis of a Five-walled CNT with Nonlocal Theory
Authors: Alireza Bozorgian, Navid Majdi Nasab, Abdolreza Memari
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A continuum model is presented to study vdW interaction on buckling analysis of multi-walled walled carbon nanotube. In previous studies, only the vdW interaction between adjacent two layers was considered and the vdW interaction between the other two layers was neglected. The results show that the vdW interaction cofficients are dependent on the change of interlayer spacing and the radii of tubes. With increase of radii the vdW coefficients approach a constant value. The numerical results show that the effect of vdW interaction on the critical strain for a doublewalled CNT is negligible when the radius is large enough for the both the cases of before and after buckling.Keywords: Buckling, Carbon nanotube, van der Waals interaction, Multi-walled Carbon nanotube, Critical Strain, Prebuckling Pressure
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 137998 Electrochemical Performance of Carbon Nanotube Based Supercapacitor
Authors: Jafar Khan Kasi, Ajab Khan Kasi, Muzamil Bokhari
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Carbon nanotube is one of the most attractive materials for the potential applications of nanotechnology due to its excellent mechanical, thermal, electrical and optical properties. In this paper we report a supercapacitor made of nickel foil electrodes, coated with multiwall carbon nanotubes (MWCNTs) thin film using electrophoretic deposition (EPD) method. Chemical vapor deposition method was used for the growth of MWCNTs and ethanol was used as a hydrocarbon source. High graphitic multiwall carbon nanotube was found at 750oC analyzing by Raman spectroscopy. We observed the electrochemical performance of supercapacitor by cyclic voltammetry. The electrodes of supercapacitor fabricated from MWCNTs exhibit considerably small equivalent series resistance (ESR), and a high specific power density. Electrophoretic deposition is an easy method in fabricating MWCNT electrodes for high performance supercapacitor.
Keywords: Carbon nanotube, chemical vapor deposition, catalyst, charge, cyclic voltammetry.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 248997 Effect of Carbon Nanotube Reinforcement in Polymer Composite Plates under Static Loading
Authors: S. Madhu, V. V. Subba Rao
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In the implementation of Carbon Nanotube Reinforced Polymer matrix Composites in structural applications, deflection and stress analysis are important considerations. In the present study, a multi scale analysis of deflection and stress analysis of carbon nanotube (CNT) reinforced polymer composite plates is presented. A micromechanics model based on the Mori-Tanaka method is developed by introducing straight CNTs aligned in one direction. The effect of volume fraction and diameter of CNTs on plate deflection and the stresses are investigated using classical laminate plate theory (CLPT). The study is primarily conducted with the intention of observing the suitability of CNT reinforced polymer composite plates under static loading for structural applications.
Keywords: Carbon Nanotube, Micromechanics, Composite plate, Multi-scale analysis, Classical Laminate Plate Theory.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 235796 Analysis of Current Mirror in 32nm MOSFET and CNTFET Technologies
Authors: Mohini Polimetla, Rajat Mahapatra
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There is need to explore emerging technologies based on carbon nanotube electronics as the MOS technology is approaching its limits. As MOS devices scale to the nano ranges, increased short channel effects and process variations considerably effect device and circuit designs. As a promising new transistor, the Carbon Nanotube Field Effect Transistor(CNTFET) avoids most of the fundamental limitations of the Traditional MOSFET devices. In this paper we present the analysis and comparision of a Carbon Nanotube FET(CNTFET) based 10(A current mirror with MOSFET for 32nm technology node. The comparision shows the superiority of the former in terms of 97% increase in output resistance,24% decrease in power dissipation and 40% decrease in minimum voltage required for constant saturation current. Furthermore the effect on performance of current mirror due to change in chirality vector of CNT has also been investigated. The circuit simulations are carried out using HSPICE model.
Keywords: Carbon Nanotube Field Effect Transistor, Chirality Vector, Current Mirror
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 300895 Synthesis of Mg/B Containing Compound in a Modified Microwave Oven
Authors: Gülşah Çelik Gül, Figen Kurtuluş
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Magnesium containing boron compounds with hexagonal structure have been drawn much attention due to their superconductive nature. The main target of this work is new modified microwave oven by on our own has an ability about passing through a gas in the oven medium for attainment of oxygen-free compounds such as c-BN. Mg containing boride was synthesized by modified-microwave method under nitrogen atmosphere using amorphous boron and magnesium source in appropriate molar ratio. Microwave oven with oxygen free environment has been modified to aimed to obtain magnesium boride without oxygen. Characterizations were done by powder X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Mg containing boride, generally named magnesium boride, with amorphous character without oxygen is obtained via designed microwave oven system.
Keywords: Magnesium containing boron compounds, modified microwave synthesis, powder X-ray diffraction, FTIR.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 109294 Optimization of Cutting Parameters during Machining of Fine Grained Cemented Carbides
Authors: Josef Brychta, Jiri Kratochvil, Marek Pagac
Abstract:
The group of progressive cutting materials can include non-traditional, emerging and less-used materials that can be an efficient use of cutting their lead to a quantum leap in the field of machining. This is essentially a “superhard” materials (STM) based on polycrystalline diamond (PCD) and polycrystalline cubic boron nitride (PCBN) cutting performance ceramics and development is constantly "perfecting" fine coated cemented carbides. The latter cutting materials are broken down by two parameters, toughness and hardness. A variation of alloying elements is always possible to improve only one of each parameter. Reducing the size of the core on the other hand doing achieves "contradictory" properties, namely to increase both hardness and toughness.
Keywords: Grained cutting materials difficult to machine materials, optimum utilization.
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