Sharif Digital Repository

A quantum modeling of the CO adsorption on illuminated anatase TiO2 (0 0 1) is presented. The calculated adsorption energy and geometries of illuminated case are compared with the ground state case. The calculations were achieved by using DFT formalism and the BH and HLYP. Upon photoexcitation, an electron-hole pair is generated. Comparing of natural population in the ground state and the exited state, shows that an electron is trapped in a Ti4+ ion and a hole is localized in an oxygen ion. The photoelectron helps generation of a CO2 molecule on the TiO2 surface. As shown by optimization of these systems, the CO molecule adsorbed vertically on the TiO2 (0 0 1) surface in the ground state... 

This paper proposes probabilistic damage and collapse models for reinforced concrete poles in electric power distribution networks and investigates the damage and collapse pattern of poles under earthquake excitations. To this end, detailed finite element models of the H-type reinforced concrete poles are developed and verified using past experimental studies as well as the observed damage in previous earthquakes. The models are then subjected to nonlinear static analyses to study the effect of the loading pattern, loading direction, concrete strength, and failure criteria on the capacity and the collapse pattern of the pole. Next, incremental dynamic analysis is carried out to investigate... 

A new procedure is proposed to quantify uncertainties involved in the seismic response of structures including ground motion and modeling variability. The advent of performance-based earthquake engineering (PBEE) and probabilistic seismic risk analysis necessitates consideration of uncertainties in predicting seismic responses. However, the high computational cost of conventional methods restricts their application to only simple numerical models. The present study employs the endurance time (ET) method concept to predict the response distribution which requires much less computational efforts than conventional methods. The proposed procedure for the quantification of record-to-record... 

One of the most basic, longstanding open problems in the theory of dynamical systems is whether reachability is decidable for one-dimensional piecewise affine maps with two intervals. In this paper we prove that for injective maps, it is decidable.We also study various related problems, in each case either establishing decidability, or showing that they are closely connected to Diophantine properties of certain transcendental numbers, analogous to the positivity problem for linear recurrence sequences. Lastly, we consider topological properties of orbits of one-dimensional piecewise affine maps, not necessarily with two intervals, and negatively answer a question of Bournez, Kurganskyy, and... 

In conventional grinding of hard to cut materials such as Ti6Al4V alloys, surface burning, redeposition and adhesion of chips to the grinding wheel and workpeice occur visibly unless it is carried out at low speeds and with high volume of cutting fluid. Ultrasonic assisted grinding is an efficient machining process which improves the machinability of hard-to-cut materials by changing the kinematics of the process. In this research, the effect of imposition of ultrasonic vibration on the grinding of Ti6Al4V alloy is studied. Longitudinal vibration at ultrasonic frequency range (20 kHz) is applied on the workpiece and machining forces and surface roughness are compared between conventional... 

Supersonic turbulent high-pressure jet flows, which are discharging in low-pressure quiescent ambient, are recognized as imperfectly expanded turbulent jet. Steady-state imperfectly expanded jet flow has been already studied analytically; however, the transient flow has not been thoroughly studied. In the present study, the transient imperfectly expanded jet flow with focus on fuel spray in combustion is investigated analytically employing two-step separation of variables method and Fourier-Bessel expansion. The results are validated using available experimental data. The effects of different parameters such as eddy viscosity and pressure ratio on the behavior of the jet are studied. Results... 

Distresses are integral parts of pavement that occur during the life of the road. Bitumen distress is known as one of the most important problems of Iran's roads, especially in tropical areas and transit routes with heavy axes; so, identifying the effective factors in creating the bleeding phenomenon is very necessary and important. Therefore, this study was conducted to investigate the parameters of the mixing design in creation of bleeding phenomenon and its severity. The collected data were then analyzed and grouped using Design Expert and SPSS software. The results show that all five parameters of optimal bitumen percent, bitumen percent in asphalt mixture, void percent of Marshall... 

In this paper, a novel temperature-dependent multi-scale method is developed to investigate the role of temperature on surface effects in the analysis of nano-scale materials. In order to evaluate the temperature effect in the micro-scale (atomic) level, the temperature related Cauchy–Born hypothesis is implemented by employing the Helmholtz free energy, as the energy density of equivalent continua relating to the inter-atomic potential. The multi-scale technique is applied in atomistic level (nano-scale) to exhibit the temperature related characteristics. The first Piola–Kirchhoff stress and tangential stiffness tensor are computed, as the first and second derivatives of the free energy... 

A semi-analytical method is presented to calculate the dynamic responses of a rectangular plate due to a moving oscillator. In previous analytical solutions of the moving oscillator problem, the elastic distributed structure has usually been modeled by an elastic beam structure. This restrictive assumption is removed in this study by assuming a general plate as two-dimensional elastic distributed structure. The method can be applied for any arbitrary path on the plate. A combination of the Fourier and Laplace transformation as well as the convolution theorem is used to solve the governing differential equations of the problem. A modified integration technique is then presented to solve the...