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    Molecular Dynamics Simulation of Crack Propagation in Nanocrystalline Materials

    , M.Sc. Thesis Sharif University of Technology Moradi, Masoud (Author) ; Farrahi, Gholamhossein (Supervisor)
    Abstract
    Nanocrystalline metals and alloys have some appealing characteristics with significance potential compared to their microcrystalline counterparts for engineering applications. These include ultra-high yield and fracture strengths, decreased elongation and toughness, superior wear resistance, and the promise of enhanced superplastic formability at lower temperatures and faster strain rates. This leads us to study the effects of different nanocrystalline parameters on crack propagation process in these materials. In the present study, the behavior of a crack in a columnar nanocrystalline structure is examined. One of the methods of modelling nanocrystals primary structures is the Voronoi... 

    Synthesis and Evaluation of a Nano-Catalyst for Dehydration of Methanol to Dimethyl Ether

    , M.Sc. Thesis Sharif University of Technology Zaherian, Amir Ali (Author) ; Kazemeini, Mohammad (Supervisor) ; Aghaziarati, Mahmoud (Supervisor)
    Abstract
    Dimethyl ether (DME) as a clean fuel is a suitable alternative for diesel fuel. It has a high cetane number and does not contain any sulfur or metal compounds. Furthermore, DME does not form any soot and has a potential to reduce NOx emissions. In addition, it is not corrosive to any metal and not harmful to the human body. Two approaches are currently used for the production of DME from synthesis gas. The first is an indirect two-step process involving methanol synthesis followed by catalytic dehydration of methanol to DME over solid-acid catalysts, while the second method enables direct synthesis of DME using a bifunctional catalyst. At present, indirect synthesis of DME is a more... 

    Study of the Effect of Electroplated Nanocrystalline Nickel Grain Size on Corrosion Resistance

    , M.Sc. Thesis Sharif University of Technology Ghorbanpour, Arian (Author) ; Baghalha, Morteza (Supervisor) ; Kazemeini, Mohammad (Supervisor)
    Abstract
    In this project, nonocrystalline nickel coatings with grain sizes within the range of 9-27 nanometers were produced on yellow-brass plates by electroplating in a modified Watts bath applying current densities from 2 to 6 A/dm2 and bath stirring speeds from 0 to 400 rpm. To determine crystallite size, X-ray diffraction technique (XRD) was utilized; it was observed that grain size declined continuously with increase in current density and then in bath stirring speed. The experimental results coming from XRD tests were compared with a theoretical model in order to verify their reliability; the obtained curve indicated a good correspondence between the experimental data and the theoretical... 

    Investigation the Correlation Between Nanocrystallization and Consolidation Mechanisms and Their Effect on Magnetic Properties of Bulk Finemet Type Alloys

    , Ph.D. Dissertation Sharif University of Technology Gheiratmand, Tayebeh (Author) ; Madaah Hosseini, Hamid Reza (Supervisor) ; Davami, Parviz (Supervisor)
    Abstract
    Finemet soft magnetic alloys in the form of toroidally winded ribbons are not suitable for industrial applications where a large volume of magnetic materials is required. Production of Finemet bulk alloy by powder metallurgy techniques is an applicable method to produce complex component with isotropic magnetic properties which are the same as ribbons. In this research, Finemet bulk magnetic alloy with composition of has been produced by consolidation of amorphous powders obtained by milling of melt-spun ribbons. At the all stages, the structure and magnetic properties were studied using X-ray diffraction, differential scanning calorimetry, transmission electron microscopy, scanning... 

    Electroplating Nano Crystalline Nickel for Reduction of Corrosion Rate

    , M.Sc. Thesis Sharif University of Technology Hajinejad, Davood (Author) ; Baghalha, Morteza (Supervisor)
    Abstract
    Polycrystalline materials are solids that are composed of many crystallites of varying size and orientation called “Grain”. As the grain size reduces to the values below 100nm, the overall material properties are remarkably changed, and thus the resulting nanocrystalline materials have provided much better engineering properties at the same chemical composition compared to the microcrystalline. The main objective of the present study is to synthesize a nanocrystalline (22nm-25nm) coating based on Nickel over the yellow-brass plates. To do this, an electroplating technique in a modified Watts bath is employed in which the current density and stirring speed varied between 3 to 9.5 Ampere per... 

    Water-based sol-gel nanocrystalline barium titanate: Controlling the crystal structure and phase transformation by Ba:Ti atomic ratio

    , Article Journal of Materials Science ; Volume 44, Issue 18 , 2009 , Pages 4959-4968 ; 00222461 (ISSN) Mohammadi, M. R ; Esmaeili Rad, A ; Fray, D. J ; Sharif University of Technology
    2009
    Abstract
    Highly stable, water-based barium titanate (BaTiO3) sols were developed by a low cost and straightforward sol-gel process. Nanocrystalline barium titanate thin films and powders with various Ba:Ti atomic ratios were produced from the aqueous sols. The prepared sols had a narrow particle size distribution in the range 21-23 nm and they were stable over 5 months. X-ray diffraction pattern revealed that powders contained mixture of hexagonal- or perovskite-BaTiO3 as well as a trace of Ba2Ti 13O22 and Ba4Ti2O27 phases, depending on annealing temperature and Ba:Ti atomic ratio. Highly pure barium titanate with cubic perovskite structure achieved with Ba:Ti = 50:50 atomic ratio at the high... 

    Visible photoenhanced current-voltage characteristics of Au : TTT iO2 nanocomposite thin films as photoanodes

    , Article Journal of Physics D: Applied Physics ; Volume 43, Issue 10 , 2010 ; 00223727 (ISSN) Naseri, N ; Amiri, M ; Moshfegh, A. Z ; Sharif University of Technology
    Abstract
    In this investigation, the effect of annealing temperature and concentration of gold nanoparticles on the photoelectrochemical properties of sol-gel deposited Au : TiO2 nanocomposite thin films is studied. Various gold concentrations have been added to the TiO2 thin films and their properties are compared. All the deposited samples are annealed at different temperatures. The optical density spectra of the films show the formation of gold nanoparticles in the films. The optical bandgap energy of the Au : TiO2 films decreases with increasing Au concentration. The crystalline structure of the nanocomposite films is studied by x-ray diffractometry indicating the formation of gold nanocrystals in... 

    Utilization of least square support vector machine (LSSVM) for electrical resistivity prediction of the zn-mn-s nanocrystalline semiconductor films

    , Article ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE) ; Volume 3, Issue PARTS A, B, AND C , 2012 , Pages 1099-1104 ; 9780791845196 (ISBN) Abbasi, A. A ; Ahmadian, M. T ; Sharif University of Technology
    2012
    Abstract
    In this investigation, application of the least square support vector machine (LSSVM) for modeling of the electrical resistivity of the magnetic Zn-Mn-S nanocrystalline semiconductor films has been described. The model has been trained based on the experimental data obtained from a published work by Sreekantha Reddy et al. The model inputs are temperature and variations in the concentrations of Zn, Mn. The results indicate that LSSVM is able to be used for accurate prediction of the electrical resistivity of the Zn-Mn-S nanocrystalline semiconductor films  

    Transition metal ions effect on the properties and photocatalytic activity of nanocrystalline TiO2 prepared in an ionic liquid

    , Article Journal of Hazardous Materials ; Volume 172, Issues 2–3 , December , 2009 , Pages 1573–1578 Ghasemi, S. (Shahnaz) ; Rahimnejad, S. (sara) ; Rahman Setayesh, S. (shahrbanoo) ; Rohani, S ; Gholami, M.R. (Mohammad Reza) ; Sharif University of Technology
    Abstract
    TiO2 and transition metal (Cr, Mn, Fe, Co, Ni, Cu, and Zn) doped TiO2 nanoparticles were synthesized by the sol–gel method using 2-hydroxylethylammonium formate as an ionic liquid. All the prepared samples were calcined at 500 °C and characterized by X-ray diffraction (XRD), BET surface area determination, energy dispersive X-ray (EDX) analysis, diffuse reflectance spectroscopy (DRS), and Fourier transformed infrared (FT-IR) techniques. The studies revealed that transition metal (TM) doped nanoparticles have smaller crystalline size and higher surface area than pure TiO2. Dopant ions in the TiO2 structure caused significant absorption shift into the visible region. The results of... 

    Transition metal ions effect on the properties and photocatalytic activity of nanocrystalline TiO2 prepared in an ionic liquid

    , Article Journal of Hazardous Materials ; Volume 172, Issue 2-3 , 2009 , Pages 1573-1578 ; 03043894 (ISSN) Ghasemi, S ; Rahimnejad, S ; Setayesh, S. R ; Rohani, S ; Gholami, M. R ; Sharif University of Technology
    Abstract
    TiO2 and transition metal (Cr, Mn, Fe, Co, Ni, Cu, and Zn) doped TiO2 nanoparticles were synthesized by the sol-gel method using 2-hydroxylethylammonium formate as an ionic liquid. All the prepared samples were calcined at 500 °C and characterized by X-ray diffraction (XRD), BET surface area determination, energy dispersive X-ray (EDX) analysis, diffuse reflectance spectroscopy (DRS), and Fourier transformed infrared (FT-IR) techniques. The studies revealed that transition metal (TM) doped nanoparticles have smaller crystalline size and higher surface area than pure TiO2. Dopant ions in the TiO2 structure caused significant absorption shift into the visible region. The results of... 

    The role of TiO2 addition in ZnO nanocrystalline thin films: Variation of photoelectrochemical responsivity

    , Article Electrochimica Acta ; Volume 56, Issue 18 , July , 2011 , Pages 6284-6292 ; 00134686 (ISSN) Naseri, N ; Yousefi, M ; Moshfegh, A. Z ; Sharif University of Technology
    2011
    Abstract
    In this study, the effects of TiO2 addition on the physical and photoelectrochemical properties of ZnO thin films have been investigated. The (TiO2)x-(ZnO)1-x nanocomposite thin films were dip-coated on both glass and indium tin oxide (ITO)-coated conducting glass substrates with various values of x, specifically 0, 0.05, 0.1, 0.25 and 0.5. Optical properties of the samples were studied by UV-vis spectrophotometry in the range of 300-1100 nm. The optical spectra of the nanocomposite thin films showed high transparency in the visible region. The optical bandgap energy of the (TiO2)x-(ZnO)1-x films increased slightly with increasing values of x. The crystalline structure of the nanocomposite... 

    The influence of surface nanocrystallization induced by shot peening on corrosion behavior of niti alloy

    , Article Journal of Materials Engineering and Performance ; Volume 24, Issue 8 , August , 2015 , Pages 3093-3099 ; 10599495 (ISSN) Olumi, S ; Sadrnezhaad, S. K ; Atai, M ; Sharif University of Technology
    Springer New York LLC  2015
    Abstract
    Nickel-titanium (NiTi) shape memory alloys have been widely used as implant materials, due to their superior shape memory properties and similar mechanical behavior to bone tissue. The presence of nickel on the surface of nickel-titanium alloy and release of this ion in the body environment will result in some allergic reactions. In current study, we used shot pinning process to produce nanocrystalline nickel-titanium alloy with increased corrosion resistance. Field emission scanning electron microscopy (FE-SEM), x-ray diffraction (XRD) analysis, and atomic force microscopy were employed to investigate the surface features of samples. The quantitative chemical analysis of NiTi and modified... 

    The effect of nanocrystalline tungsten oxide concentration on surface properties of dip-coated hydrophilic WO3-SiO2 thin films

    , Article Journal of Physics D: Applied Physics ; Volume 40, Issue 7 , 2007 , Pages 2089-2095 ; 00223727 (ISSN) Naseri, N ; Azimirad, R ; Akhavan, O ; Moshfegh, A. Z ; Sharif University of Technology
    2007
    Abstract
    WO3-SiO2 compound thin films were deposited on glass substrates using the sol-gel method, and then all the samples were dried at 100 °C and annealed at 400 °C in air. The effect of WO3 concentration on the hydrophilicity of WO3-SiO2 compound films was studied for the first time and it was shown that the films containing 85 mol% of the concentration possessed a superhydrophilic surface without UV or visible irradiation. Optical properties of the films such as transmittance, reflectance and bandgap energy were investigated using a UV-visible spectrophotometer. According to atomic force microscopy, the surface ratio was maximized in 85 mol% concentration of WO3 similar to hydrophilicity.... 

    The effect of microstructure on the photocatalytic properties of TiO2

    , Article Advanced Materials Research, 26 October 2009 through 29 October 2009 ; Volume 264-265 , 2011 , Pages 1340-1345 ; 10226680 (ISSN) ; 9783037850534 (ISBN) Khameneh Asl, S ; Kianpour Rad, M ; Sadrnezhaad, S. K ; Vaezi, M. R ; Sharif University of Technology
    2011
    Abstract
    Titanium dioxide is a cheap, chemically stable and non-toxic material. However its photocatalytic properties are unstable and it is a modest semiconductor and a mediocre insulator. For several applications it would be interesting to make it either more insulating or more conducting. The goal of this work was to modify the photocatalytic properties of nano-crystalline TiO2 powders by wet chemical routes and hydrothermal methods to understand the mechanism leading to these modifications The principal factors that influence the photocatalytic properties are on the one hand the concentration and nature of the chemical and physical conditions in TiO2, and on the other hand the morphology of the... 

    Taguchi analysis of extrusion variables and composition effects on the morphology and mechanical properties of EPR-g-MA toughened polyamide 6 and its composite with short glass fiber

    , Article Materials Science and Engineering A ; Volume 506, Issue 1-2 , 2009 , Pages 45-57 ; 09215093 (ISSN) Shojaei, A ; Fereydoon, M ; Sharif University of Technology
    2009
    Abstract
    Various compositions of maleated ethylene-propylene-rubber (EPR-g-MA) toughened polyamide 6 without and with short glass fiber, i.e. 5-20 wt.% rubber and 5-20 wt.% fiber, are prepared using an industrial twin-screw extruder at different levels of feed rate (100-250 kg/h), screw speed (200-450 rpm) and barrel temperature (230-260 °C). Trial runs designed based on the Taguchi's orthogonal arrays are subjected to tensile, impact, scanning electron microscopy (SEM) and optical microscopy tests; and the results are used to perform the analysis of variance (ANOVA). It is shown that the rubber particle size decreases significantly by increasing the rubber content for the unreinforced blend. The... 

    Synthesis of wide band gap nanocrystalline NiO powder via a sonochemical method

    , Article Ultrasonics Sonochemistry ; Volume 19, Issue 4 , 2012 , Pages 841-845 ; 13504177 (ISSN) Mohseni Meybodi, S ; Hosseini, S. A ; Rezaee, M ; Sadrnezhaad, S. K ; Mohammadyani, D ; Sharif University of Technology
    2012
    Abstract
    A sonochemistry-based synthesis method was used to produce nanocrystalline nickel oxide powder with ∼20 nm average crystallite diameter from Ni(OH)2 precursor. Ultrasound waves were applied to the primary solution to intensify the Ni(OH)2 precipitation. Dried precipitates were calcined at 320 °C to form nanocrystalline NiO particles. The morphology of the produced powder was characterized by transmission electron microscopy. Using sonochemical waves resulted in lowering of the size of the nickel oxide crystallites. FT-IR spectroscopy and X-ray diffraction revealed high purity well-crystallized structure of the synthesized powder. Photoluminescence spectroscopy confirmed production of a wide... 

    Synthesis of thoria nanoparticles via the hydrothermal method in supercritical condition

    , Article Materials Letters ; Volume 81 , 2012 , Pages 99-101 ; 0167577X (ISSN) Moeini, M ; Malekzadeh, A ; Ahmadi, S. J ; Hosseinpour, M ; Sharif University of Technology
    Elsevier  2012
    Abstract
    Thorium dioxide (thoria) nano-particle was synthesized by employing supercritical water (SCW) as an excellent reaction environment for hydrothermal crystallization of metal oxide particles. This method is ideal for production of ultrafine powder having controlled stoichiometry, high quality, purity and crystallinity. The nano-crystalline thoria was prepared in a stainless steel (316 L) autoclave, fed with an aqueous solution of Th(NO 3) 4.5H 2O as a reactant and took place under SCW condition up to 450 °C for 45 min. The product was recovered and characterized by X-Ray Diffraction (XRD), Thermal Gravimetry Analysis (TG/DTA) and Brunauer, Emmett and Teller (BET) surface area analysis. The... 

    Synthesis of nanostructured and nanoporous TiO2-AgO mixed oxide derived from a particulate sol-gel route: Physical and sensing characteristics

    , Article Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science ; Volume 42, Issue 8 , August , 2011 , Pages 2481-2492 ; 10735623 (ISSN) Mohammadi, M. R ; Fray, D. J ; Sharif University of Technology
    2011
    Abstract
    Nanocrystalline TiO2-AgO thin films and powders were prepared by an aqueous particulate sol-gel route at the low temperature of 573 K (300 °C). Titanium tetraisopropoxide and silver nitrate were used as precursors, hydroxypropyl cellulose was used as a polymeric fugitive agent in order to increase the specific surface area. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) revealed that the phase composition of the mixed oxide depends upon the annealing temperature, being a mixture of TiO2 and AgO in the range 573 K to 773 K (300 °C to 500 °C) and a mixture of TiO2, AgO, Ag2O at 973 K (700 °C). Furthermore, one of the smallest crystallite sizes was obtained for TiO... 

    Synthesis of nanocrystalline yttrium iron garnets by sol-gel combustion process: The influence of pH of precursor solution

    , Article Materials Science and Engineering B: Solid-State Materials for Advanced Technology ; Volume 129, Issue 1-3 , 2006 , Pages 211-215 ; 09215107 (ISSN) Hosseini Vajargah, S ; Madaah Hosseini, H. R ; Nemati, Z. A ; Sharif University of Technology
    2006
    Abstract
    The nitrate-citrate gels exhibit auto-catalytic behavior, which can be used to synthesize the nanocrystalline YIG powders. In this study yttrium iron garnet (Y3Fe5O12) nanocrystalline powders were prepared by a sol-gel auto-combustion process. The influence of pH value of the precursor solution on the combustion behavior and the garnet phase formation of synthesized powders were investigated by scanning electron microscopy (SEM), thermal analysis (DTA/TGA), infrared (IR) spectroscopy and X-ray diffraction technique (XRD). The results show that with increasing pH value, the combustion rate increases. The as-burnt powder prepared with pH 1 yielded a single phase YIG after calcination at 800... 

    Synthesis of nanocrystalline Ni/Ce-YSZ powder via a polymerization route

    , Article Materials Science- Poland ; Volume 31, Issue 3 , 2013 , Pages 343-349 ; 01371339 (ISSN) Abolghasemi, Z ; Tamizifar, M ; Arzani, K ; Nemati, A ; Khanfekr, A ; Bolandi, M ; Sharif University of Technology
    Oficyna Wydawnicza Politechniki Wroclawskiej  2013
    Abstract
    Pechini process was used for preparation of three kinds of nanocrystalline powders of yttria-stabilized zirconia (YSZ): doped with 1.5 mol% nickel oxide, doped with 15 mol% ceria, and doped with 1.5 mol% nickel oxide plus 15 mol% ceria. Zirconium chloride, yttrium nitrate, cerium nitrate, nickel nitrate, citric acid and ethylene glycol were polymerized at 80 °C to produce a gel. XRD, SEM and TEM analyses were used to investigate the crystalline phases and microstructures of obtained compounds. The results of XRD revealed the formation of nanocrystalline powder at 900 °C. Morphology of the powder calcined at 900 °C, examined with a scanning electron microscope, showed that the presence of...