Sharif Digital Repository

Nanocrystalline Y3-xMMxFe5O12 powders (MM denotes Misch-metal, x = 0.0, 0.25, 0.5, 0.75, and 1.0) were synthesized by a sol-gel combustion method. Magnetic properties and crystalline structures were investigated using X-ray diffraction (XRD), a vibrating sample magnetometer (VSM), and a scanning electron microscope. The XRD patterns showed that the single-phase garnet of Y3-xMMxFe5O12 was formed at x values ≤ 1.0. The saturation magnetization of powders increased with decreasing MM content and reached the maximum value at Y3 Fe5O12. The crystallite size of powders calcined at 800°C for 3 h was in the range of 38-53 nm. © 2008 American Ceramic Society  

In this article, a novel approach is presented for the concurrent coupling of continuum-atomistic model in the nano-mechanical behavior of atomic structures. The study is focused on the static concurrent multi-scale simulation, which is able to effectively capture the surface effects intrinsic in the molecular mechanics modeling. The Hamiltonian approach is applied to combine the continuum and molecular models with the same weight in the overlapping domain. A Lagrange-multiplier method is employed over the overlapping domain for coupling the continuum nodal displacement with the atomic lattice deformation. A multiple-step algorithm is developed to decouple the solution process in the atomic... 

In this research TiO2 hollow spheres with different diameters were prepared using titanium tetraisopropoxide (TTIP) as the TiO2 precursor. Carbon spheres with average sizes of 230, 325 and 450 nm were prepared as the templates by hydrothermal method. Then TiO2 was deposited on the surface of the carbon spheres through a liquid phase deposition (LPD) process. This two dimensional growth was performed in an appropriate concentration of TTIP and different LPD times. Finally the TiO2 hollow spheres were achieved for specific LPD times by burning the carbon templates. Two kinds of TiO2 nanocrystals with sizes around 20 nm were hydrothermally grown in acidic (pH = 1.5) and basic (pH = 10)... 

In this paper, a new multi-scale technique is developed for concurrent coupling of atomistic-continuum domains in modeling nano-mechanical behavior of atomic structures. A Lagrange multiplier method is employed over an overlapping domain to coupling the continuum nodal velocities with atomic lattice velocities. The Hamiltonian method is applied to combine the continuum and molecular Hamiltonians with the same weight in the overlapping domain. The mass and stiffness matrices of the continuum domain are obtained using a linear bridging map of the atomic lattice displacement laid underneath the continuum grid to the element displacements. Numerical examples are performed by presenting the... 

In this paper, an artificial neural network (ANN) model has been developed to predict the yield and tensile strengths of hot pressed NiAl intermetallic compound based on the experimental data from Albiter et al. [A. Albiter, M. Salazar, E. Bedolla, R.A.L. Drew, R. Perez, Mater. Sci. Eng. A 347 (2003) 154]. The predicted results, with a correlation relation between 0.9791 and 0.9921, show a very good agreement with the experimental values. Furthermore, the sensitivity analysis was performed to investigate the importance of the effects of chemical composition and temperature on the mechanical behavior of hot pressed NiAl intermetallic compound. © 2008 Elsevier B.V. All rights reserved  

Hydroxyapatite (HA) coatings were deposited on commercially pure titanium plates using a hydrothermal-electrochemical deposition method in an electrolyte containing calcium and phosphate ions. The deposition conditions used in this study were the followings: electrolyte temperature (33-80 °C), current density (1-8 mA/cm2), and deposition time (10-120 min). Needle-like and granular crystals of apatite coating were created with different concentrations of calcium (0.0021-0.042 M) and phosphate (0.00125-0.025 M) salts. The size of HA crystals of the coating was considerably changed with different concentration of calcium and phosphate salts, temperature of the electrolyte, and deposition time.... 

Nanocrystalline nickel titanate (NiTiO3) thin films and powders with mesoporous structure were produced at the low temperature of 500 °C by a straightforward particulate sol-gel route. The sols were prepared in various Ni:Ti molar ratios. X-ray diffraction and Fourier transform infrared spectroscopy revealed that the powders contained mixtures of the NiTiO 3 and NiO phases, as well as the anatase-TiO2 and the rutile-TiO2 depending on the annealing temperature and Ni:Ti molar ratio. Moreover, it was found that Ni:Ti molar ratio influences the preferable orientation growth of the nickel titanate, being on (202) planes for the nickel dominant powders (Ni:Ti ≥ 75:25) and on (104) planes for the... 

The low temperature perovskite-type calcium titanate (CaTiO3) thin films and powders with nanocrystalline and mesoporous structure were prepared by a straightforward particulate sol-gel route. The prepared sol had a narrow particle size distribution about 17 nm. X-ray diffraction and Fourier transform infrared spectroscopy revealed that, the synthesized powders had highly pure and crystallized CaTiO3 structure with preferable orientation growth along (1 2 1) direction at 400-800 °C. The activation energy of crystal growth was calculated 5.73 kJ/mol. Furthermore, transmission electron microscope images showed that the average crystallite size of the powders annealed at 400 °C was around 3.5... 

The morphological manipulation and structural characterisation of TiO 2-MgO binary system by an aqueous particulate sol-gel route were reported. Different crystal structures including pure MgTiO 3, mixtures of MgTiO 3 and TiO 2 and mixtures of MgTiO 3 and Mg 2TiO 4 were tailored by controlling Mg:Ti molar ratio and annealing temperatures as the processing parameters. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) revealed that all compounds crystallised at the low temperature of 500 °C. Furthermore, it was found that the average crystallite size of the compounds depends upon the Mg:Ti molar ratio as well as the annealing temperature, being in the range 3-5 nm at... 

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... 

In this paper, a multi-scale molecular dynamics-finite element coupling is presented to study the mechanical behavior of heterogeneous nano-crystalline structures. The stiffness and mass matrices of the continuum sub-domain are generated by applying a linear transformation on the matrices obtained via the atomic structure underlying the FE mesh. A Lagrange multiplier method is employed to the transition zone imposing velocity resemblance of the coupling regions. The constraint equations of motion are solved by the multi-time-step decomposition thus giving the opportunity to ascribe different time steps to each individual zone. The molecular dynamics is performed by employing the... 

TiO2, transition metal (Cr, Mn, Fe, Co, Ni, Cu, and Zn)- and aluminum-doped TiO2 nanoparticles were prepared by the sol-gel technique. The sulfated catalysts were prepared by the impregnation method with H2SO4 solution. The catalysts were characterised by X-ray diffraction (XRD), BET surface area measurement, diffuse reflectance spectroscopy (DRS), and Fourier transform infrared (FTIR) techniques. The sulfate content of the metal-incorporated samples was considerably higher than for SO4 2-/TiO2. The metal doping brought about a considerable reduction in the extent of sulfate loss from the catalyst surface due to the wide dispersion on the surface. The SO4 2-/TiO2 and SO4 2-/M/TiO2... 

Large-scale molecular dynamics simulations are carried out to investigate the friction behavior of nanocrystalline nickel (Ni) at low temperature. Grain sizes ranging from 4–11 nm are used to explore the behavior of nanocrystalline Ni near the Hall-Petch breakdown. Effects of grain size, grain morphology and scratch depth on coefficient of friction (COF) and deformation mechanism of nanocrystalline Ni are investigated. Reduction of the COF with the refinement of grain size in nanocrystalline nickel is observed, however, for a grain size of 5 nm this trend is observed to be reversed. It is also found that scratch depth can influence the estimation of friction behavior of nanocrystalline... 

In this paper, a hierarchical multi-scale technique is developed to investigate the thermo-mechanical behavior of nano-crystalline structures in the presence of edge dislocations. The primary edge dislocations are generated by proper adjustment of atomic positions to resemble discrete dislocations. The interatomic potential used to perform atomistic simulation is based on the Finnis-Sinclair embedded-atom method as many-body potential and, the Nose-Hoover thermostat is employed to control the effect of temperature. The strain energy density function is obtained for various representative volume elements under biaxial and shear loadings by fitting a fourth order polynomial in the atomistic... 

Two-step sintering (TSS) was applied on nanocrystalline yttria tetragonal stabilized zirconia (3Y-TZP) to control the grain growth during the final stage of sintering. The process involves firing at a high temperature (T1) followed by rapid cooling to a lower temperature (T2) and soaking for a prolonged time (t). It is shown that for nanocrystalline 3Y-TZP (27 nm) the optimum processing condition is T1 = 1300 °C, T2 = 1150 °C and t = 30 h. Firing at T1 for 1 min yields 0.83 fractional density and renders pores unstable, leading to further densification at the lower temperature (T2) without remarkable grain growth. Consequently, full density zirconia ceramic with an average grain size of 110... 

The high mobility of charge carriers in graphene (G) together with the ease of processing and tunable optical properties of colloidal quantum dots (CQD) has provided high-performance hybrids for the next generation of phototransistors. In order to get a higher quality film of PbS QDs, understanding the effect of the ligand exchange method is critical. So, to improve the interdot electronic coupling, we propose a new conducting ligand to prepare a dense and self-assembled active layer of FAPbI3-PbS quantum dots on G/Si/SiO2substrates. Quantum dot (QD) nanocrystalline films were preparedviatwo different procedures: liquid phase ligand exchange (LPE) and solid phase ligand exchange (SPE). SPE... 

WO3 thin film photoanodes containing different concentrations of Ag nanoparticles were synthesized by solegel method. Based on UV-visible spectra, presence of a surface plasmon resonance peak at 470 nm of wavelength indicated formation of silver nanoparticles in the WO3 films. According to atomic force microscopy (AFM) analysis, the highest value for surface roughness and the effective surface ratio was observed for the sample containing 2 mol% of Ag. X-ray diffraction (XRD) patterns revealed that WO 3 nanocrystalline structure was formed in the monoclinic phase with the average size of about 18.2 nm while Ag nanocrystals were determined in cubic phase. X-ray photoelectron spectroscopy (XPS)... 

The low temperature perovskite-type strontium titanate (SrTiO 3) thin films and powders with nanocrystalline and mesoporous structure were prepared by a straightforward particulate sol-gel route. The prepared sol had a narrow particle size distribution with hydrodynamic diameter of about 17 nm. X-ray diffraction (XRD) revealed that the synthesized powders had a perovskite-SrTiO 3 structure with preferable orientation growth along the (1 0 0) direction. TEM images showed that the average crystallite size of the powders annealed in the range 300-800°C was around 8 nm. FE-SEM analysis and AFM images revealed that the deposited thin films had mesoporous and nanocrystalline structure with the... 

Perovskite-type barium strontium titanate (BST) thin films and powders with nanocrystalline and mesoporous structure were prepared by a straightforward particulate sol-gel route at room temperature. The prepared sol had a narrow particle size distribution of about 20 nm. X-ray diffraction (XRD) revealed that phase composition and preferable orientation growth of BST depended upon the annealing temperature. Transmission electron microscope (TEM) images showed that the crystallite size of the powders decreased with increasing annealing temperature from 8 nm at 25 °C down to 5 nm at 800 °C. Field emission scanning electron microscope (FE-SEM) analysis and atomic force microscope (AFM) images... 

Low temperature lithium titanate compounds (i.e., Li4Ti 5O12 and Li2TiO3) with nanocrystalline and mesoporous structure were prepared by a straightforward aqueous particulate sol-gel route. The effect of Li:Ti molar ratio was studied on crystallisation behaviour of lithium titanates. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) revealed that the powders were crystallised at the low temperature of 500 °C and the short annealing time of 1 h. Moreover, it was found that Li:Ti molar ratio and annealing temperature influence the preferable orientation growth of the lithium titanate compounds. Transmission electron microscope (TEM) images showed that the average...