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Comparing Glass Formability of Cu-Zr and Ni-Zr Systems by Molecular Dynamics Simulation
, M.Sc. Thesis Sharif University of Technology ; Tavakoli, Rohollah (Supervisor)
Abstract
Metallic glasses (MG) are a group of materials that have unique properties such as high yielding strength and high elastic deformation. Because of limitation in the production of these materials, a few industrial materials of MG have been made so far. A few of binary alloys, like binary alloys made of Cu-Zr, have high Glass Forming Ability (GFA) in medium cooling rates. Between two binary systems of Cu-Zr and Ni-Zr, although constituent elements in aspect of atomic radius, electronic structure, physical properties, phase diagrams and intermetallic compounds are so similar to each other, but GFA between them are very different. For example, in Cu-Zr system there are compounds, such as...
Optimal Design of Functionally Graded Materials Under Thermomechanical Loadings
, M.Sc. Thesis Sharif University of Technology ; Tavakoli, Rohollah (Supervisor)
Abstract
A numerical algorithm for the optimal design of two components functionally graded materials under thermomechanical loadings is introduced in the present study. It is based on the topology optimization method. The objective function, to be minimized, is defined as the weighted combination of the thermal and mechanical compliance of structure. The design variables are defined as the local volume fractions of contributing phases. The set of constraints includes bound constraints on local volume fractions and a global constraint on the total volume fraction of the matrix phase. The corresponding heat and elasticity equations are solved by the finite element method. The local material properties...
Molecular Dynamics Simulation of Water Nanofiltration by Graphene Oxide Membranes
, M.Sc. Thesis Sharif University of Technology ; Tavakoli, Rohollah (Supervisor)
Abstract
According to current researches, graphene oxide (GO) membranes show promising desalination properties due to ease of synthesis, low production cost, and high efficiency. There are several experimental works to study ionic sieving properties of GO membranes. However, it is difficult to characterize atomistic mechanism of water permeation and ion rejection by experimental approaches. On the other hand, there exist a few reports in which the atomistic picture of water permeation across GO membranes is investigated by means of molecular dynamics (MD) simulation. In the present work, in addition to water desalination, the atomic scale mechanism of ion rejection is studied using large scale MD...
Optimal Heat Transfer in Composite Plates Insulation Matrix Reinforced with Non-Homogeneous Conductive Materials
, M.Sc. Thesis Sharif University of Technology ; Tavakoli, Rohollah (Supervisor)
Abstract
In order to heat, cool or control the heat transfer in insulation plates, under a certain loading condition, for uniformity temperature distribution and maximum temperature control, it is possible to composite materials with high thermal conductivity and appropriate distribution in Inside the insulation matrix. The purpose of this study is to provide a method for optimally distributing conductive phase inside an insulating plate under a specific thermal loading condition so that the temperature difference between the various points of the plate is minimized in stable conditions. For this purpose, a topology optimization method was used to determine the optimal distribution of conductive...
Effect of Chemical Composition on Atomic Structure and Mechanical Properties of Mg-Zn Glass Alloys Using Molecular Dynamics Simulation
, M.Sc. Thesis Sharif University of Technology ; Tavakoli, Rohollah (Supervisor)
Abstract
In this research, Mg-Zn bulk metallic glasses have been investigated using molecular dynamics simulation. In order to study the structure of this alloy, coordination number, short and medium order of chemical range, Voronoi analysis, glass conversion temperature and atomic pair distribution function have been used. According to the results, the full icosahedral structure with IS connection type in comparison with other structures has an essential role in the stability of the system during cooling and creating medium-scale areas. The results show that the ability to form glass depends on the chemical composition and cooling rate. In this research, the cooling rate is considered to be 1011 K/s...
The Effect of Chemical Composition and Cast Iron Structure on the Frictional and Abrasive Properties of the Brake Disc
, M.Sc. Thesis Sharif University of Technology ; Varahram, Naser (Supervisor) ; tavakoli, Rohollah (Supervisor)
Abstract
One of the most important factors affecting the performance of the vehicle's brake disc is its stiffening coefficient. To improve this feature, many researches have been carried out by leading automotive companies, whose scientific aspects have not yet been widely disseminated. Brake discs are often made of cast iron and are more likely to produce gray iron with type A graphite. However, according to available resources, factors such as graphite morphology, their length-to-thickness ratios, cast iron and heat treatment on the piece affect this important feature. One of the most important factors that make changes in the above mentioned cases is the chemical composition and freezing rate. In...
Design Optimization of Pouring basin in the Shape Casting Process
, M.Sc. Thesis Sharif University of Technology ; Davami, Parviz (Supervisor) ; Tavakoli, Rohollah (Supervisor)
Abstract
The pouring basin is a main part in the gating system. The formation of a vortical flow is a big problem occurs during the discharge of melt from the pouring basin. The vortex formation can enter the floating slag and inclusion into the mold. In the case that the vortex is more stronger, a fully air core to the sprue forms and leads to entraining of the air to the mold. These phenomena can decrease the casting quality significantly. Therefore preventing of the vortex is necessary to produce a sound cast. In this study the mechanism of vortex formation is investigated and several solutions are presented to avoid its detrimental effects. For this purpose discharge of a tank is simulated...
Experimental and Analytical Study of Warpage Reduction in Polypropylene 3d Printing by using Recycled Silica Nanoparticles
, M.Sc. Thesis Sharif University of Technology ; Pircheraghi, Gholamreza (Supervisor) ; Tavakoli, Rohollah (Supervisor)
Abstract
Creating sustainable development in today's society is essential, and one of the most important elements to achieve this is the phenomenon of recycling. Lead-acid batteries are one of the sources of environmental pollution, and their separators contain 50% recyclable silica nanoparticles. In this research, impurities in these separators were removed using two methods: washing with water and sandblasting. The purity of recycled nanoparticles was 85.5% in the first method and 98% in the second method. In addition to the importance of recycling, finding a suitable use for recycled materials is also critical. FDM 3D printing is a new method of producing parts, but polypropylene is not commonly...
Fabrication of Janus Micromotors Based on Black Titanium Dioxide for Medical Application
, M.Sc. Thesis Sharif University of Technology ; Madaah Hosseini, Hamid Reza (Supervisor) ; Tavakoli, Rohollah (Co-Supervisor)
Abstract
Enzyme-powered motors self-propel through the catalysis of biofuels, which makes them excellent candidates for biomedical applications. However, fundamental issues such as their movement in biological fluids and understanding the mechanism of propulsion are important aspects that must be considered before application in biomedicine. Building active systems based on biocompatible materials that use non-toxic fuels to power their vehicles have always been challenging. In this study, self-propelled micromotors consist of titanium dioxide black spheres asymmetrically coated with a thin layer of gold. Cysteine was used to bind urease enzyme due to thiol binding. By biocatalytically converting...
Free Vibration Analysis of Thin Truncated Cylindrical Shells using Galerkin Approach
, M.Sc. Thesis Sharif University of Technology ; Dehghani Firouzabadi, Rohollah (Supervisor)
Abstract
The current study is dedicated to free vibration analysis of a thin cylindrical shell with an oblique end. To this end, governing equations of motion and the corresponding boundary conditions are derived using Hamiltonian formulations. The differential form of equations is obtained by applying by part integration to the integral form of equations of motion. Equations of motions have been solved by Galerkin method for two different kinds of boundary conditions. Convergence process for different kinds of conditions has been done and results compared with papers. The effect of different parameters such as, length of cylinder, oblique angle, thickness etc. on the fundamental frequencies has been...
Degradation of Polypropylene Random Copolymer in Aqueous Solution of Chlorine Dioxide: Effect of Crystalline Structure and Morphology
, M.Sc. Thesis Sharif University of Technology ; Pircheraghi, Gholamreza (Supervisor)
Abstract
Polypropylene is a semi-crystalline thermoplastic used in various industries and the second most used polymer globally. Polypropylene is sensitive to degradation by o agents due to having tertiary carbon in its chain. Chlorine-based disinfectants, used to disinfect drinking water, cause the degradation of hot water pipes made of polypropylene random copolymer. The stability of polypropylene against oxidizing chemical agents depends on the type of crystalline phase and polymer morphology. This research investigated the effect of alpha, beta, and gamma crystalline phases and spherulite size on random polypropylene copolymer's chemical stability in chlorine dioxide. Three samples were prepared,...
Simulation of in Plane and Lateral Vibration of a Graphene Plate, Based on the Clasic Plate Theory and the most General form of Strain Gradient Theory and Deriving the Constitutive Law Parameters from Molecular Mechanic Parameters
, M.Sc. Thesis Sharif University of Technology ; Dehghani Firouzabadi, Rohollah (Supervisor)
Abstract
Here the differential equations of a Graphene sheet deformation is determined by making use of the most general form of first Strain Gradient Elasticity (SGE) theory. In order to derive the equations of in-plane and out-of-plane deformations, the matrix representation of Strain Gradient constitutive law is used. Vibration of the nano-plate is studied by modeling the plate based on Kirchhoff theory and application of variation of energy, therefor the in-plane and out-of-plane vibration of the nano-plate is found through Navier analytical solution. After all natural frequencies are obtained based on SGE parameters. SGE parameters are determined by calculating the potential of a representative...
Organic halides and nanocone plastic structures enhance the energy conversion efficiency and self-cleaning ability of colloidal quantum dot photovoltaic devices
, Article Journal of Physical Chemistry C ; Volume 121, Issue 18 , 2017 , Pages 9757-9765 ; 19327447 (ISSN) ; Simchi, A ; Tavakoli, R ; Fan, Z ; Sharif University of Technology
American Chemical Society
2017
Abstract
This paper presents solid-state ligand exchange of spin-coated colloidal lead sulfide quantum dot (PbS QD) films by methylammonium iodide (MAI) and integration of them in depleted heterojunction solar (DHS) devices having an antireflecting (AR) nanocone plastic structure. Time-resolved photoluminescence measurements determine a shorter lifetime of the charge carries on a semiconductor (TiO2) electron transfer layer for the MAI-passivated QD films as compared with those with long-chain aliphatic or short thiol ligands. Consequently, the DHS device yields improved power conversion efficiency (>125%) relative to oleic-acid-passivated PbS QD films. Using anodized aluminum oxide templates, an...
Surface engineering of TiO2 ETL for highly efficient and hysteresis-less planar perovskite solar cell (21.4%) with enhanced open-circuit voltage and stability
, Article Advanced Energy Materials ; Volume 8, Issue 23 , 2018 ; 16146832 (ISSN) ; Yadav, P ; Tavakoli, R ; Kong, J ; Sharif University of Technology
Wiley-VCH Verlag
2018
Abstract
Interfacial studies and band alignment engineering on the electron transport layer (ETL) play a key role for fabrication of high-performance perovskite solar cells (PSCs). Here, an amorphous layer of SnO2 (a-SnO2) between the TiO2 ETL and the perovskite absorber is inserted and the charge transport properties of the device are studied. The double-layer structure of TiO2 compact layer (c-TiO2) and a-SnO2 ETL leads to modification of interface energetics, resulting in improved charge collection and decreased carrier recombination in PSCs. The optimized device based on a-SnO2/c-TiO2 ETL shows a maximum power conversion efficiency (PCE) of 21.4% as compared to 19.33% for c-TiO2 based device....
Efficient, hysteresis-free, and flexible inverted perovskite solar cells using all-vacuum processing.Efficient, hysteresis-free, and flexible inverted perovskite solar cells using all-vacuum processing
, Article Solar RRL ; 2020 ; Yadav, P ; Prochowicz, D ; Tavakoli, R ; Sharif University of Technology
Wiley-VCH Verlag
2020
Abstract
The fabrication of efficient perovskite solar cells (PSCs) using all-vacuum processing is still challenging due to the limitations in the vacuum deposition of the hole transporting layer (HTL). Herein, inverted PSCs using copper (II) phthalocyanine (CuPC) as an ideal alternative HTL for vacuum processing are fabricated. After proper optimization, a PSC with a power conversion efficiency (PCE) of 20.3% is achieved, which is much better than the PCEs (16.8%) of devices with solution-based CuPC. As it takes a long time to dissolve CuPC in the solution-based device, the evaporation approach has better advantage in terms of fast processing. In addition, the device with the evaporated CuPC HTL...
Efficient perovskite solar cells based on Cdse/Zns quantum dots electron transporting layer with superior UV stability
, Article Physica Status Solidi - Rapid Research Letters ; Volume 14, Issue 6 , 2020 ; Prochowicz, D ; Yadav, P ; Tavakoli, R ; Sharif University of Technology
Wiley-VCH Verlag
2020
Abstract
Stability is the main challenge in the field of perovskite solar cells (PSCs). Finding new strategies is required to protect the PSCs from deteriorating agents such as humidity, heating, and illumination. Herein, a new electron transporting layer (ETL), i.e., CdSe/ZnS quantum dots (QDs), is proposed for the fabrication of efficient and stable PSCs. CdSe/ZnS QDs layer not only works as an ETL but also has downshifting property, which can improve both efficiency and stability of the PSCs. Using CdSe/ZnS QDs ETL with green emission, a PSC with maximum power conversion efficiency (PCE) of 18% is achieved. More importantly, the device shows great UV stability, much better than the device with...
Vibration and Stability of a Pipe Conveying Flow and Application in Firefighting UAVs
, M.Sc. Thesis Sharif University of Technology ; Dehghani Firouzabadi, Rohollah (Supervisor)
Abstract
In this project, vibration and stability condition of a pipe conveying flow has been studied for use in firefighting plane. The Plane is a multi-rotor that carries the pipe to a certain height and it does the washing work there, bassed on the fluid flow from the nozzle embedded in the end of the pipe. Due to the flexibility of the pipe in this application, structure modeling is based on cable without bending stiffness. The Galerkin method is used to solve equations by considering the assumed mode shape for structure. At first, by analyzing free vibrations, different boundary conditions were considered for the pipe and the natural frequencies and natural shape modes were extracted in...
Vibration Analysis of Orthotropic Graphene Sheets Using Nonlocal Elasticity Theory in Elastic Support With Different Boundary Conditions
, M.Sc. Thesis Sharif University of Technology ; Dehghani Firouzabadi, Rohollah (Supervisor)
Abstract
Nanotechnology with the tools, materials and their applications in areas such as engineering mechanics, materials, electronics, computers, and machines at the nanoscale is dealing. The Fnarvy, atoms and molecules as building materials, engineering bricks counts. In mechanical engineering branch, two aspects are discussed in view of nanotechnology, nano-scale structures and analyzing the behavior of phenomena that occur at the nanoscale. In this project, methods to analyze the behavior of nanoscale materials has been studied.
The present thesis examines the natural frequencies of nano graphene sheets on elastic foundation deals. The elastic foundation modeled with two springs.At first The...
The present thesis examines the natural frequencies of nano graphene sheets on elastic foundation deals. The elastic foundation modeled with two springs.At first The...
Investigating Nonlinear Vibration of a Turbine-Shaft in the Start-up Process Using Timoshenko Beam Theory
, M.Sc. Thesis Sharif University of Technology ; Dehghani Firouzabadi, Rohollah (Supervisor)
Abstract
In this study, the nonlinear vibrations of an elastic rotor that is under the elastic support and under the follower force caused by the airflow passing through the rotating plane are investigated. The elastic shaft is modeled by the Timoshenko beam theory, which is connected to a motor through a flexible coupling and the motor increases the rotational speed of the rotor by applying torque. Gibbons’ equations have been used to model the misalignment forces. First, the kinetic energy of the rotating system is calculated nonlinearly to take into account the effect of nonlinear terms due to the rotational inertia of the system, and then the potential energy and The work of external forces on...
Investigating the Role of Open Data Intermediaries in the Stability and Value Creation of the Open Data Ecosystem: a Case Study of Rasmio Company and Vinsabt Group in Iran
, M.Sc. Thesis Sharif University of Technology ; Maleki, Ali (Supervisor) ; Honarvar, Rohollah (Co-Supervisor)
Abstract
Open data intermediaries, as the key species of the ecosystem, and since they are the primary consumers of open government data, are crucial to the ecosystem's growth. Without them, the data would be useless during the dissemination phase. This study aims to define the roles of open data intermediaries and explain how they are compatible with the value creation and sustainability of the open data ecosystem in order to fill a gap in the literature in this area. Two Iranian open data intermediaries, Rasmio company and Vinsabt group, which have been involved in the field of data pertaining to companies, have been studied for this purpose. The data for this study is qualitative and was gathered...