Sharif Digital Repository

Nowadays, the use of microreactors is receiving a great deal of attention due to the unique characteristics of such systems, such as high surface-to-volume ratio, low material loss, greater safety, and minimizing mass and heat transfer limitations. In this study, the optimization of the continuous-flow synthesis of Plavix by Cu-MOF heterogeneous catalyst utilizing a glass microreactor was investigated. Structural characteristics of the catalyst were investigated using X-ray diffraction spectroscopy (XRD), Fourier-transform infrared spectroscopy (FTIR), Scanning electron microscopy (SEM), and BET surface area studies to describe the structure and morphology of the catalyst. In order to build... 

During production from gas condensate reservoirs, reservoir pressure decreses to lower than dew point pressure of the reservoir fluid. Consequently, condensates will form in near wellbore regions, which significantly decrease well productivity. One of the remediations that is recently proposed for solving this problem is wettability alteration of near wellbore region to gas wetting condition. In comparison to other methods, it provides a better permanency, which is its key advantage. The main purpose of this thesis is, quantitative, qualitative and modeling study of wettability alteration of rock to gas wetting condition and verification of modeling rsults for a reservoir rock sample. Also,... 

Tubular sections and consequently tubular joints in construction of steel structures in the form of space frames is widely used in ground and marine structures, including offshore jacket platforms. The passage of part of the life of the existing offshore platforms has caused cracks in various parts of the joints of these structures due to various reasons, the most important of which is fatigue. In this thesis, by adopting numerous numerical studies and validations with some cited experimental papers, the principles governing the proper buckling behavior of tubular members focusing on the conventional geometries of Persian Gulf platforms as well as the behavior and local flexibility of... 

In practice, structures made of concrete are full of cracks. The strength of concrete is mainly determined by the tensile strength, which is about 10% of the compressive strength. As long as cracking in concrete is unavoidable, we have to try to minimize their detrimental effects. This objective can be achieved by resisting (or limiting) propagation of existing cracks. Because of this, reinforcement (mostly steel) is used to increase the carrying capacity of the material and to control the development of cracks. Concrete structures that fail, already shows a large number of large and small cracks before their maximum carrying capacity is reached. The failure of concrete can be characterized... 

This research introduces a novel thermo-mechanical multiscale technique, utilizing machine learning, for simulating the compaction process of aluminum nanopowders with surface oxidation at various temperatures. The methodology employed involves the utilization of nonlinear thermo-mechanical Finite Element Method (FEM) for macro scale analysis, while employing the Molecular Dynamics (MD) method to calculate the mechanical and thermal characteristics of aluminum nanopowders at the nano-scale. The first part of the research presents a comprehensive study on the thermal conductivity of alumina-coated aluminum nanopowders, which is a crucial property for their application in powder metallurgy,... 

In this thesis, a fully coupled numerical model is developed for the modeling of dynamic cohesive crack propagation and hydraulic fracture in saturated porous media using extended finite element method. Many engineering structures like concrete or soil dams and buildings foundation are built with porous materials like concrete, rock and soil. Behavior of these materials in which void among the solid particles are filled with one or more fluids are so complicated rather than single solid phase. Dynamic analysis of porous mediums containing a discontinuity has many applications in various civil engineering fields including structure, earthquake, hydraulic structures, etc. For instance... 

Fracture is one of the most important engineering problems, and the lack of knowledge about this phenomenon will result in loss of life and property. Before the computer age, fracture mechanics has been studied by many analytical mechanics researchers; and after that, lots of attempts have been done to accurately model this phenomenon.
Finite element method, one of the best methods in Computational Mechanics, is common in computational fracture mechanics. Polygonal finite element is a new concept which has been recently applied in finite element analysis. This research utilized this concept in com-putational fracture mechanics. In another word, the crack discontinuity and crack tip... 

The band gap offset is an effect of coordination numbers (CNs) of atoms reduction at the edge of transversal cross-section Si nanowires (SiNWs) which would be of increasingly important for greater shell-core ratio sections. In this paper, a hierarchical multi-scale modeling has been developed to simulate edge effect on the band gap shift of SiNWs due to geometry effect induced strain in the self-equilibrium state. Classical Molecular Dynamics (MD) approach and Finite Element Method (FEM) are used in the micro (atomic) and macro scale levels, respectively. Using the Cauchy-Born (CB) hypothesis as a correlator of continuum and atomic properties, the atomic positions are related to the... 

Contact between different parts of a system and their interactions on each other is one of the most important phenomena that we face in modeling a variety of mechanical issues which should be carefully considered. Sometimes, this phenomenon occurs between different components in a phase and some other times between several phases, which, causes changes in the performance and response of the system. Therefore, in order to investigate its effect in particular on dynamic problems that are subject to severe changes over a short period of time, and to provide more effective methods for dealing with it, the subject of this research has been devoted to dynamic contact modeling with large... 

In this thesis, a coarse-grained multi-scale method for 2D crystallyn solids based-on finite element consepts has presented. In this method, both scales are atomic scale and similar to what we see in non-local QC method, the entire atomic structure will be intact. Accordingly, calculations of potential functions and forces in the domain will have the atomic accuracy. In the presented method to reduce the domain’s degrees of freedom, the classical finite-element meshing concept to mesh the elastic linear areas in the domain is used and the MD calculations will done on the mesh nodes. Therefore, degrees of freedom in the system will reduce and consequently, the computational cost will reduce.... 

In present research forming process of nanopowders, which is a part of powder metallurgy was investigated by molecular dynamics method. Powder metallurgy is a relatively new method for production of industrial parts by pouring powder into die and compaction to desired density. One can reach parts with higher quality and strength by decreasing size of powder’s particles and entering the nano scale. Particle with smaller size have higher specific surface and due more intensity to react. Classic methods for investigation of this process don’t cover the atomic scale effects, so using newer procedures such as molecular dynamics is highly recommended. In present research, at first compaction of... 

Every year, fracture imposes high economic costs and casualties to all societies. Since the beginning of the twentieth century, scientific approach to this issue has lead to invention of a new branch in mechanics, called fracture mechanics. In general, fracture problems fall into two categories. Brittle fracture, like what happens in glass, in which, few plastic deformations and energy absorption occurs and ductile fracture, which is preceded by large plastic deformations and energy absorption. This kind of fracture is usual in ductile metals like low carbon steel. Finite Element which is considered as the most important numerical method in the mechanics of materials, is also, widely used in... 

Soil structures have important roles in civil engineering applications. The most important types of these structures are soil dams and foundations which their damages may cause huge loss. Thus, appropriate analysis of these structures under possible loading conditions is unavoidable. The real behavior of this media can be achieved from the solution of its coupled governing differential equations. In order to solve this set of equations in practical applications, appropriate numerical solutions should be used. The finite element method can be called as one of the most important numerical solutions of differential equations which have been used in analyzing different types of engineering... 

In the limit case of incompressibility, the displacement-based finite element methods are not capable of finding the solutions with adequate accuracy. Moreover, discontinuities in displacement field or strain field which exist in the interior of the elements should be dealt with appropriately. The u/p mixed formulation provides a suitable context for modeling the incompressible problems. It is capable of solving general problems in which there exist geometrical or material nonlinearities. In the case of employing the eXtended Finite Element Method (XFEM), uniform meshes can be used for problems with discontinuities and in fact the discontinuities can be decoupled from the mesh. In this...