Sharif Digital Repository

In this paper, we perform self-consistent field relaxation and electronic structure calculations of tetragonal B3N3 based on density functional theory, using LDA pseudopotential in the pressure range between − 30 and + 160 GPa. Although metallic B3N3 has a honeycomb structure, according to the electronic band structure, it has bulk properties (not layered) with effective mass non-interacting electron gas behavior near Fermi level (not Dirac massless) and a small anisotropy, about 0.56 in effective mass in the direction of MA relative to XM. Electronic calculations of the B3N3 under pressure show that increasing positive pressure causes the decrease of Fermi energy and total electronic... 

Information and Communication Technologies (ICTs) are now widely accepted by developing countries as a critical tool in their efforts, so policy makers should develop ICT policies or e-policies in order to monitor and evaluate political, socio-economic and cultural impacts of ICT and also measure progress in the use of ICTs to achieve the development strategies and policies. The paper focuses on the ICT's impacts as an important part in developing e-policies, including a comprehensive model based on system approach, appropriate frameworks for determining affecting and affected elements of ICT and a conceptual framework for analyzing and prioritizing different dimensions of the society. The... 

Prediction of accident frequency based on traffic and roadway characteristics has been a very significant tool in the field of traffic management. The accident frequencies on 185 roadway segments of the city of Mashhad, Iran, for the year 2007, were used to develop accident prediction models. Negative Binomial Regression, Zero Inated Negative Binomial Regression, Support Vector Machine and Back-Propagation Neural Network models were used to fit the accident data. Both fitting and predicting abilities of the models were evaluated through computing error values. Results show that the NBR model is the most effective model for predicting the number of accidents because of its low prediction and... 

A Takagi-Sugeno adaptive neuro-fuzzy inference system (TSFIS) model is developed and applied to a dataset of wellhead flow-test data for the Resalat oil field located offshore southern Iran, the objective is to assist in the prediction and control of multi-phase flow rates of oil and gas through the wellhead chokes. For this purpose, 182 test data points (Appendix 1) related to the Resalat field are evaluated. In order to predict production flow rate (QL) expressed as stock-tank barrels per day (STB/D), this dataset includes four selected input variables: upstream pressure (Pwh); wellhead choke sizes (D64); gas to liquid ratio (GLR); and, base solids and water including some water-soluble... 

The hybrid-polymer nanocomposite poly(styrene-methyl methacrylate- acrylic acid) /nanoclay was synthesized by miniemulsion polymerization for novel use as a drilling fluid additive. Three low-solid-drilling fluids (bentonite-based; natural polymer-based; nanoclay-based) were formulated using the hybrid nanocomposite as an additive and their rheological performance compared. The polymer/clay hybrid nanoparticles significantly improve rheological and filtration properties of the drilling fluids and they remain stable at high pressure, high temperature and harsh salinity conditions. The fluids’ filtration properties improve as the concentration of the polymer/nanoclay-hybrid-nanoparticles... 

This paper gives details of the refinement and application of a two-dimensional horizontal model for rivers. An explicit finite-difference algorithm was used for solving the governing differential equations, which includes the conservation of mass and momentum to predict hydrodynamic parameters. The model includes different turbulence closure models - that is, constant eddy viscosity, Prandtl simple mixing length and Smagorinsky methods. An experimental programme was designed and carried out in a laboratory flume to measure the length of eddy produced at the entrance of the intake. Model predictions have been compared with experimental results for a lateral intake. The effect of different... 

Most available numerical methods face problems, in the presence of variable topographies, due to the imbalance between the source and flux terms. Treatments for this problem generally work well for structured grids, but most of them are not directly applicable for unstructured grids. On the other hand, despite of their good performance for discontinuous flows, most available numerical schemes (such as HLL flux and ENO schemes) induce a high level of numerical diffusion in simulating recirculating flows. A numerical method for simulating shallow recirculating flows over a variable topography on unstructured grids is presented. This mass conservative approach can simulate different flow... 

The electron acceleration in the bubble regime is considered during the laser-plasma interaction. The PIC and experimental results show that the obtained ellipsoid cavity model is more consistent than the spherical model. We prove the fields inside the cavity depend linearly on the coordinates and the spherical cavity is a special case of the ellipsoid model. The quasi mono-energetic electrons output beam tracing the laser plasma can be more appropriately described with this model. © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim  

The casing-collapse hazard is one that drilling engineers seek to mitigate with careful well design and operating procedures. However, certain rock formations and their fluid pressure and stress conditions are more prone to casing-collapse risks than others. The Gachsaran Formation in south west Iran, is one such formation, central to oil and gas resource exploration and development in the Zagros region and consisting of complex alternations of anhydrite, marl and salt. The casing-collapse incidents in this formation have resulted over decades in substantial lost production and remedial costs to mitigate the issues surrounding wells with failed casing string. High and vertically-varying... 

For the 4th IUPAP International Conference of Women in Physics, we report on activities in science and engineering in Iran, and conditions for women in physics, in the three years since the 3rd IUPAP International Conference of Women in Physics was held in 2008. Iran has made prominent advancements and astonishing progress in laser technology, biotechnology, nanotechnology, genetics, computer software and hardware, and robotics. Iranian scientists have been very productive in several experimental fields, such as pharmaceutical, organic, and polymer chemistry. Conditions for women in physics have improved greatly in recent years. A project to improve the environment for learning physics, and... 

The lead is a heavy metal with hazardous impacts on environment and human life. Lead-free perovskite solar cells have attracted much attention in recent years, due to eco-friendly characteristics. Meanwhile, Pb-containing cells showed the highest efficiencies among the various types of cells. Hence, designing novel Pb-free solar cells with comparable or better performance than the Pb-containing ones is highly required. In this work, a lead-free methyl-ammonium-germanium-iodide (MAGeI3)-based perovskite solar cell with ITO/TiO2/MAGeI3/Spiro-OMeTAD/Ag multilayer nanostructure has been proposed and its main characteristics including open-circuit voltage (VOC) and power conversion efficiency (η)... 

Core/shell structure of ZnO nanowires coated with a monolayer of TiO 2 is investigated using Density Functional Theory (DFT). The electronic states of the semiconductor is calculated and compared before and after coating of the TiO2 monolayer on a ZnO [101 0] surface. The effect of TiO2 coating induce surface states changes and shifts the conduction and valence band edges to higher energies. Our results, in qualitative agreement with the experimental work of Matt Law et al. (J. Phys. Chem. B, 110, 22652), show an increase in open circuit voltage and a decrease in short circuit current in ZnO/TiO2 core shell dye sensitized solar cells. Regarding the semiconductor density of states (DOS), TiO2... 

Due to the important role of commitment and trust in the relationship marketing, the factors which can directly result in a committed relationship along with the factors which can influence the commitment through influencing trust, according to the model of commitment and trust by (Morgan & Hunt, 1994) have been introduced and their level of importance has been investigated here. The article uses fuzzy cognitive maps (FCMs) in the proposed model to find the most important paths leading to relationship commitment. The FCM analyzes the responses of a group of 30 people including general practitioners in dentistry, managers of dental departments in some of the public clinics and hospitals who... 

Conventionally, a film of TiO2 particles of 300 nm size is employed in Dye-sensitized solar cells (DSCs) as the back reflector film to enhance the light harvesting. Perfect reflectance of silver in visible and near infrared motivates to investigate its potential as the material for the light back reflector film in DSCs. In this study, light back reflector films consisting of 300 nm-sized silver particles, as well as vacuum evaporated silver flat film, were fabricated and compared to 300 nm-sized rutile-type TiO2 particulate reflector film to study their optical aspects. Conventional TiO2 rutile-type particulate film demonstrates slightly lower performance... 

Monolithic dye-sensitized solar cells are conventionally fabricated using carbon composite layer as the counter electrode. In the current research, the brittle carbon composite layer is replaced with a metal foil, aiming to decrease the device series resistance and using less catalyst material in counter electrode. This metallic structure has also an advantage of mechanical strength and decreases the fabrication complexity. The counter electrode is prepared by electrodepositing Cr film followed by electrodepositing Pt nanoparticles on a metal foil. As the porous spacer layer, different composite layers of SiO2, TiO2, and Al2O3 are investigated and the best results are obtained for TiO2... 

Microbial fuel cells (MFCs) have been a potential green energy source for a long time but one of the problems is that either the technology must be used on a large scale or special equipment have been necessary to keep the fuel cells running such as syringe pumps. Paper-based microbial fuel cells do not need to have a syringe pump to run and can run entirely by themselves when placed in contact with the fluids that are necessary for it to run. Paper-based microbial fuel cells are also more compact than traditional MFCs since the device doesn't need any external equipment to run. The goal of this paper is to develop a microbial fuel cell that does not require a syringe pump to function. This... 

This paper proposes a novel decentralized control approach for islanded direct-current (DC) microgrids (MGs) based on model predictive control (MPC) to regulate the distributed generation unit (DGU) output voltages, i.e. the voltages of the point of common coupling (PCC). A local controller is designed for each DGU, in the presence of uncertainties, disturbances, and unmodeled dynamics. First, a discrete-time state-space model of an MG is derived. Afterward, an MPC algorithm is designed to perform the PCC voltage control. The proposed MPC scheme ensures that the PCC voltages remain within an acceptable range. Several simulation studies have been conducted to illustrate the effectiveness of... 

Sophisticated surgeons are widely indicating the use of surgical robots in order to reject human error, increase precision, and speed. Among well-known robotic mechanisms, parallel robots are broadly more investigated regarding their special characters as higher acceleration, speed, and accuracy, and less weight. Specific surgical procedures confine, and restrict their workspace, while controlling and validating the robots are complicated regarding to their complex dynamic. To this end, in this paper, a 6-DOF robot, with rotary manipulators, is designed and controlled. Addressing nonlinearity of parallel robots, an innovative methodology is formulated to robustly penalize the error of... 

Sophisticated surgeons are widely indicating the use of surgical robots in order to reject human error, increase precision, and speed. Among well-known robotic mechanisms, parallel robots are broadly more investigated regarding their special characters as higher acceleration, speed, and accuracy, and less weight. Specific surgical procedures confine and restrict their workspace, while controlling and validating the robots are complicated based on their complex dynamic. To this end, in this paper, a 6-DOF robot, with linear manipulators, is designed and controlled. Addressing the inherent nonlinearity of the robot mechanism, an adaptive PID manipulator is employed and validated with nonlinear...