Sharif Digital Repository

Effect of nanosecond lasers on the methane dissociation is experimentally studied by using three different laser wavelengths at 248 nm, 355 nm and 532 nm. C2H2 generation is measured as a major reaction product in experiments and the energy consumptions in production of this component are measured as 5.8 MJ/mol, 3.1 MJ/mol and 69.0 MJ/mol, for 355 nm, 532 nm and 248 nm wavelengths, respectively. The mechanism of conversion and production of new stable hydrocarbons is also theoretically investigated. It is found that in theoretical calculations, the ion-molecule reactions should be included and this leads to a unique approach in proper explanation of the experimental measurements  

Laser nanomanipulation by metallic nanoparticles, which are smaller than the diffraction limit, has become a great interest, especially in the manipulation of unstained biological samples. However, they are hard to image in bright-field microscopy, because of the diffraction limit. Thus, incorporation of a dark-field microscopy technique with optical tweezers would be an inevitable choice, enforcing the use of the backward scattering detection scheme. Here in this paper, we have taken into account the reflected light from the coverslip along with backscattered light from the trapped particle to validate and reveal some precautions of using this detection scheme, based on Mie-Debye... 

In this paper, a new interleaved DC–DC converter based on a coupled and a single input inductor is proposed. The suggested high step-up converter utilizes various inductive and capacitive methods to transfer magnetic energy more efficiently. The output voltage is regulated with the switches' duty cycle and the coupled inductor (CI) turns ratio, which provide a wide output voltage range. Interleaving improves the converter reliability, employs both the first and third areas of CI's B-H plane, cancels DC component of the CI, and reduces the input current ripple of the proposed converter with twice switching frequency. Utilization of two output ports for voltage stress and ripple reduction in... 

In the present work, an improved method is developed for preparing highly pure ultrathin barium titanate nanostructured films with desired structural and morphological characteristics. In contrast to other approaches, our method can be carried out at a relatively lower temperature to obtain barium titanate ultrathin films free from secondary phases, impurities, and cracks. To reach an in-depth understanding of scientific basis of the proposed process, and in order to disclose the mechanism of formation and growth of barium titanate ultrathin film, in-detail analysis is carried out using XRD, SEM, FE-SEM, and AFM techniques aided by theoretical calculations. The effects of calcining... 

The Flory-Huggins (FH) model has been one of the most used models in theoretical calculations which has been proved to be sensitive to values assigned as interaction parameters. In this work, a predictive equation is implemented to implicitly couple the concept of compressible regular solution theory of Ruzette and Mayes into the original FH model to obtain a new concertation-dependent interaction parameter equation. Then, the modified model (m-FH) is applied for construction of phase diagram of ternary solutions containing polymer/solvent/nonsolvent where experimental data for ternary systems were collected from the literature. In order to compare and analyze the model performance, the... 

We propose an accurate analytical model for a circularly polarized antenna comprising a normally magnetized, grounded ferrite disk with a metalized top surface. The antenna is assumed to be excited by a conventional current probe. In the case of a thin ferrite disk, the electromagnetic fields of the dominant mode of the antenna do not vary in the direction normal to the disk. However, with increasing thickness of the ferrite disk, higher order modes start to affect antenna characteristics such as resonance frequency. This work presents an analysis of the structure that takes into account all higher modes of the antenna. To validate the theoretical calculations, HFSS simulations are... 

Direct drive motors have the excellent ability for precision position control due to their direct connection to load and elimination of the gearbox and pulley backlash. Among the direct drive motors, permanent NdFeB magnet synchronous motors (PMSMs) are the best choice for control systems due to their high efficiency, high power density, good dynamic behaviour, and excellent controllability. This study deals with the design, analysis, and fabrication of a direct drive PMSM for precision position control. To reach this aim, the designed motor should have very low cogging torque and torque ripple to avoid the motor deviation at the target point. To achieve these purposes, at first, a suitable... 

The wetting property of spherical particles in a hexagonal close-packed (HCP) ordering from extended Gibbs free energy (GFE) and Laplace pressure view points is studied. A formalism is proposed to predict the contact angle (θ) of a droplet on the HCP films and penetration angle (α) of the liquid on the spherical particles. Then, the extended Laplace pressure for the layered HCP ordering is calculated and a correlation between the wetting angle, sign of pressure, and pressure gradient is achieved. Our results show that the sign and the slope of pressure are important criteria for determining the wettability state and it is found that the contact angle is independent of the particle radius, as... 

We have investigated the surface-enhanced resonance Raman spectroscopy (SERRS) for 4,4′-diaminotolane absorbed on silver experimentally and theoretically. Experimental observation shows greatly enhanced bg symmetric modes ν26 and ν27, which are silent in normal Raman spectroscopy and SERS on gold. The dependence of the surface-enhanced Raman spectroscopy (SERS) spectra on five excitation lines has also been registered and classified for single bands into three profiles referring to the different contributions of resonant transitions. Theoretical calculations based on the time-dependent path integral formalism by including the Herzberg-Teller correction reproduce the experimental spectra with... 

In this study, Cu-TiC nanocomposites were produced by high energy ball milling of elemental powders and in-situ formation of TiC in the copper matrix. Cu-40wt% Ti powder mixture were milled for 60 h, then graphite powder was added, subsequently milling was continued for further 10 h. Based on theoretical calculations, at this composite, the amount of TiC as reinforcement should be 60.25vol% (45.47wt%). The effect of milling time on solution progress of titanium in the copper lattice was studied by X-Ray diffraction analysis (XRD) with CuKα radiation. Considering XRD of Cu-40wt%TiC after 60 h milling data and Williamson-Hall relation, crystallite size and lattice strain of copper were... 

The aim of this study is to simulate the self-assembly of the surfactant molecules with special chemical structure and bending stiffiness into bilayer membranes using a mesoscopic Dissipative Particle Dynamics (DPD) method. The surfactants are modeled with special chemical structure and bending stiffiness. To confirm that the novel model is physical, we determine the interaction parameters based on matching the compressibility and solubility of the DPD system with real physics of the uid. To match the mutual solubility for binary uids, we use the relation between DPD parameters and x-parameters in Flory-Huggins-type models. Unsaturated bonds can change the stiffiness of a lipid membrane,... 

Structure and conformational properties of valsartan were studied by advanced NMR techniques and quantum calculation methods. Potential energy scanning using B3LYP/6-311++g** and B3LYP-D3/6-311++g** methods were performed and four conformers (V1-V4) at minimum points of PES diagram were observed. According to the NMR spectra in acetone-d6, there are two conformers (M and m) with mM = 0.52 ratio simultaneously and energy barriers of the two conformers were predicted from chemical shifts and multiplicities. While, intramolecular hydrogen bond at tetrazole ring and carboxylic groups prevent the free rotation on N6[sbnd]C11 bond in M-conformer, this bond rotates freely in m-conformer. On the... 

The new water-soluble derivative of pyrazino[2,3-f][1,10] phenanthroline has been synthesized and characterized by conductivity measurement, elemental analysis, FT-IR, 1H NMR, 13C NMR spectroscopic studies, as well as single crystal x-ray crystallography. Theoretical calculations have been performed using the density functional theory (DFT) in order to confirm the structure and understand the electronic structure of the synthesized compound. The DNA binding properties of the compound were investigated by absorption spectroscopy, melting temperature and viscosity measurements. The intrinsic binding constant, Kb, was determined as 7.84 × 103 M−1 at 298 K. Thermodynamic parameters showed that... 

Laser cutting characteristics including power level and cutting gas pressure are investigated in order to obtain an optimum kerf width. The kerf width is investigated for a laser power range of 50-170 W and a gas pressure of 1-6 bar for steel and mild steel materials. Variation of sample thickness, material type, gas pressure and laser power on the average cut width and slot quality are investigated. Optimum conditions for the steel and mild steel materials with a thickness range of 1-2 mm are obtained. The optimum condition for the steel cutting results in a minimum average kerf width of 0.2 mm at a laser power of 67 W, cutting rate of 7.1 mm/s and an oxygen pressure of 4 bar. A similar... 

Cu-CNT composites were fabricated by a flake powder metallurgy method, and their microhardness, electrical conductivity, frictional and wear properties were investigated. Homogenous distribution of CNTs in fine-grained Cu matrix was obtained using this process. Microhardness increased with the addition of CNT vol% up to 8% to the Cu matrix, while the conductivity decreased to 79.2 IACS %. Results showed that CNTs play a major role in improving wear resistance by forming a CNT-rich film that acts as a solid lubricant layer. In the synthesized composites, Cu- 4 vol% CNT composite exhibited the best wear and friction properties. The dominant wear mechanisms for the Cu-CNT composites were... 

In the current research, a cost-effective and modified method with a high degree of reproducibility was proposed for the preparation of fine nanoscale and high-purity BaTiO3. In contrast to the other established methods, in this research, carbonate-free BaTiO3 nanopowders were prepared at a lower temperature and in a shorter time span. To reach an in-depth understanding of the scientific basis of the proposed process, an in-detail analysis was carried out for characterization of nanoscale BaTiO3 particles via differential thermal analysis (DTA)/thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and... 

The experimental 13C NMR chemical shift components of uracil in the solid state are reported for the first time (to our knowledge), as well as newer data for the 15N nuclei. These experimental values are supported by extensive calculated data of the 13C, 15N and 17O chemical shielding and 17O and 14N electric field gradient (EFG) tensors. In the crystal, uracil forms a number of strong and weak hydrogen bonds, and the effect of these on the 13C and 15N chemical shift tensors is studied. This powerful combination of the structural methods and theoretical calculations gives a very detailed view of the strong and weak hydrogen bond formation by this molecule. Good calculated results for the...