Sharif Digital Repository

The effect of anharmonicity on the adsorption of CO molecules on the Ni(111) surface has been investigated. The DFT calculations are used to obtain the effective adsorption potential of the CO molecule on the Ni(111) surface. First, using an appropriate slab model, the geometry of adsorption system corresponding to hep, fcc, bridge, and on-top sites with p(2 × 2) arrangement and coverage of 0.25 ML is optimized by the DFT calculations using a plane wave basis set and ultrasoft pseudopotentials; this gives the hep site as the most stable site with De = 185 kJ/mol, for which the equilibrium distance of CO from the surface and C-O bond length on the surface are found to be 1.31 and 1.192 Å,... 

Theoretical study of nitrogen monoxide adsorption on small Six (x = 3-5) clusters has been carried out using the advanced hybrid meta-density functional method of Truhlar (MPW1B95). MG3 semi-diffuse basis sets were employed to improve the results. The geometry, adsorption energy, natural bond orbital charge, natural population analysis (NPA)-derived spin density and vibrational frequency of NO adsorption on all optimized nanoclusters were investigated. Also using the NPA, we have investigated the change of bond orders through adsorption. It has been found that NO is capable of making n-centre bonds (n = 1-4) from the nitrogen side but bonds to one site from the oxygen end. In the later case... 

The effect of electrostatic interactions on vibrational frequencies and thermodynamic properties of CO adsorbate on the Ni(111) surface is calculated by taking the first and second nearest-neighbour interactions into account. In order to obtain reasonable results, the cluster model of various surface adsorption sites with CO adsorbate is partially optimized, using Density Functional Theory and also the MP2 method for the hcp site. Comparison between DFT and MP2 results shows that DFT results are more reliable for this system. The stretching and bending frequencies of CO adsorbate are calculated using both Partial Hessian Analysis and Cluster-Adsorbate Coupling methods. Stretching and bending... 

The resonance frequencies of cantilever carbon nanocones (CNCs) up to 4 nm in height are determined using molecular dynamics simulation based on adaptive intermolecular reactive empirical bond order potential. The frequency content of the free vibrations of CNCs under a lateral initial excitation at the tip is analyzed using fast Fourier transformation, and the resonance frequencies are obtained. The results are reported for various samples to investigate the dependency of the resonance frequency to the geometrical parameters and temperature of CNCs  

In this paper, nonlinear vibration of a micro cantilever exposed to a constant velocity flow is studied. In order to obtain vibration frequency and time response of the micro beam the variational iteration method is used as a novel tool for solving nonlinear differential equations. Results of the analytical solution are compared with those obtained by Runge-Kutta method which shows very good agreement between them. Results confirm that frequency of vibration depends on the flow velocity. Also, the high sensitivity of the vibration frequency to the flow velocity means that it can be an effective indicator of velocity  

M-type Ce–Co substituted barium hexaferrite nanoparticles were synthesized by sol–gel auto-combustion route. The general formula of ferrites was Ba1−xCexFe12−xCoxO19 in which the x was considered to be: x = 0, 0.1, 0.2, and 0.3. The formed phases in the samples were characterized by using X-ray diffraction, Fourier transform infrared spectroscopy, Mössbauer spectroscopy and vibrating sample magnetometer. The results indicated that an increase in substitutional ion amount caused to decrease vibration frequencies of Fe–O band in the tetrahedral site due to the substitution of heavier Co2+ ion for Fe3+ ion in the tetrahedral site. Moreover, some of Ce3+ ions was transformed to Ce4+ and... 

This paper is concerned with the stability analysis of bridged single walled carbon nanotubes (SWCNT) under temperature changes. A molecular structural mechanics model is utilized to investigate the free vibration frequencies and thermal buckling of SWCNT. In comparison with most of the previous studies, a temperature-variable thermal-expansion-coefficient is used that is negative under a certain temperature. Also thermal variation of Young's modulus of the CNTs is considered. Several studies are performed to investigate the critical temperature change due to heating and cooling of SWCNTs with different chiralities and slenderness ratios and the stability boundaries are determined  

This paper deals with the coupling flexural-torsional vibration analysis of a grid formed by two members. A mass-spring system is attached to the grid at the intersecting joint. The members of the grid are assumed to resist torsion as well as bending and shear. Moreover, the mechanical and geometrical properties of each member are different. In order to analyze the problem, a closed-form solution is obtained. In doing so, the governing differential equations of the system along with the pertinent boundary and compatibility conditions of the system are introduced. Then, the frequency parameters of the mechanical system under study are derived and given for the first five modes of vibration.... 

The free vibration analysis of rotating axially functionally graded nanobeams under an in-plane nonlinear thermal loading is provided for the first time in this paper. The formulations are based on Timoshenko beam theory through Hamilton’s principle. The small-scale effect has been considered using the nonlocal Eringen’s elasticity theory. Then, the governing equations are solved by generalized differential quadrature method. It is supposed that the thermal distribution is considered as nonlinear, material properties are temperature dependent, and the power-law form is the basis of the variation of the material properties through the axial of beam. Free vibration frequencies obtained are... 

Friction stir processing (FSP) can be used to improve surface composites. In this study, a modified method of FSP called friction stir vibration processing (FSVP) was applied to develop a surface composite on AZ91 magnesium alloy. In this technique, the workpiece is vibrated normal to the processing direction. The results illustrated that compared with the FSP method, the FSVP caused a better homogeneous distribution of SiC particles in the microstructure. The results also showed that matrix grains of friction stir vibration processed (FSV-processed) samples ((26.43 ± 2.00) µm) were finer than those of friction stir processed (FS-processed) specimens ((39.43 ± 2.00) µm). The results... 

In this paper dynamic analysis of multi-span bridges subjected to a moving vehicle is investigated. Finite element method is used to model the problem, and the Newmark technique is used for direct integration of the governing equations. In this regard, the moving node technique is applied to represent the dynamic responses of the multi-span bridge, and the vehicle is idealized as a sprung-mass system. Results indicate that the maximum vertical deflection of the multi-span bridge occurs at the span under the vehicle. It was found that the mid-span vertical deflection of spans for dynamic and static loading are not the same, and the position of the vehicle for maximum deflection for dynamic... 

In this work, similar butt joints of AA6061-T6 alloy prepared by underwater friction stir welding (UWFSW) and friction stir vibration welding (FSVW) processes were examined. The characteristics of joints were compared with the joints obtained by conventional friction stir welding (CFSW). The different kinds of microstructural modifications that occurred during CFSW, FSVW, and UWFSW processes were analyzed. The results are employed to analyze the different behaviors in strength, ductility, weldability, and hardness of the joints in different processes at different traverse speeds, rotational speeds, and vibration frequency. It was found that mechanical vibration decreases the grain size in... 

In this work, similar butt joints of AA6061-T6 alloy prepared by underwater friction stir welding (UWFSW) and friction stir vibration welding (FSVW) processes were examined. The characteristics of joints were compared with the joints obtained by conventional friction stir welding (CFSW). The different kinds of microstructural modifications that occurred during CFSW, FSVW, and UWFSW processes were analyzed. The results are employed to analyze the different behaviors in strength, ductility, weldability, and hardness of the joints in different processes at different traverse speeds, rotational speeds, and vibration frequency. It was found that mechanical vibration decreases the grain size in... 

Theoretical study of carbon monoxide adsorption on SixGe4 - x(x = 0-4) nano-clusters has been carried out using advanced hybrid meta density functional method of Truhlar (MPW1B95). MG3 semi-diffuse (MG3S) and correlation consistent valence basis sets with relativistic core potential were employed to improve the results. The agreement of the calculated ionization and dissociation energies with experimental values validates the reported structures of nano-clusters and justifies the use of hybrid meta density functional method. The geometry, adsorption energy, charge distribution, and vibrational frequency of CO adsorption on all possible structures were investigated. The maximum vibrational... 

Iterative methods for modification of vibratory characteristics of dynamic systems have attracted a lot of attention as a convenient and more economical way when compared to the traditional and costly structural dynamic optimization processes. Many complicated structures, such as telecommunication towers, chimneys and tall buildings, may be modeled as simple spring-mass systems. This paper presents an iterative method for modification of the frequencies of simple vibrating system consisting of springs and masses. The proposed algorithm may be used to adjust any of the vibration frequencies of a simple vibrating system to the target values within the desired level of accuracy. The method... 

Nonlinear vibration of a microbeam actuated by a suddenly applied voltage with considering the effect of voltage distribution on the beam due to electrical resistivity of beam is investigated. Homotopy perturbation method is implemented to solve the coupled nonlinear partial differential equations of motion. The vibration frequency variation and damping at various resistivities is studied. Considering resistivity, effect of applied voltage and beam length on the frequency shift and damping ratio is analyzed. Findings indicate there exists a jump in frequency shift and damping ratio at a critical resistivity. Variation of critical resistivity with respect to modulus of elasticity and beam... 

The nonlinear flexural vibration for a rectangular atomic force microscope cantilever is investigated by using Timoshenko beam theory. In this paper, the normal and tangential tip-sample interaction forces are found from a Hertzian contact model and the effects of the contact position, normal and lateral contact stiffness, tip height, thickness of the beam, and the angle between the cantilever and the sample surface on the nonlinear frequency to linear frequency ratio are studied. The differential quadrature method is employed to solve the nonlinear differential equations of motion. The results show that softening behavior is seen for most cases and by increasing the normal contact...