Sharif Digital Repository

Water flooding is known as a common method to maintain reservoir pressure/enhance oil recovery. The major problem in this process induced from inorganic deposits that caused formation damage around wellbore region. It is due to incompatible nature of injected and formation water which results in permeability reduction and well productivity decrease. Solving this problem is an important issue in the petroleum industry. BaSO4, CaSO4 and SrSO4 are inorganic sediments formed in this process. The physical model of water transport in reservoir and scaling damage due to sediments contains at least two dominant parameters; the kinetics coefficient that specifies the velocity of chemical reaction,... 

At the early stages of production, oil reservoirs may have enough energy to push the oil from the reservoir into the wellbore and subsequently from the wellbore to the surface. When the reservoir energy is too low for the well to flow, or the production rate desired is greater than the reservoir energy can deliver, using some kind of artificial lift method to provide the energy to bring the fluid to the surface, seems to be necessary. Continuous flow gas lift is one of the most common artificial lift methods widely used in the oil industry during which, at appropriate pressure, gas is injected in a suitable depth into the tubing to gasify the oil column, and thus assist the production. Each... 

Water coning is a complex phenomenon that depends on various parameters which include among: production rate, matrix and fracture permeability, perforation interval, aquifer size, mobility ratio, capillary pressure, etc. Production of water can greatly affect the productivity of a well and the reservoir at large volume. In naturally fractured reservoirs, this problem is more complex because permeability of the fractures in the porous media is too high. With this complexity of water coning behavior in naturally fractured reservoir, this phenomenon was studied by simulating a sector of a carbonate fractured reservoir supported by an aquifer using Eclipse-300 simulator. A sector of an Iranian... 

In this thesis, an analytical method is presented to investigate the steady state thermal and mechanical stresses of a thick hollow infinite cylinder made of porous piezoelectric that composed of functionally graded materials. So, according to the thermal and mechanical loads on internal and external surfaces of infinite cylinder, the porosity, temperature and material property distribution are considered as non-symmetric, two-dimensional (radial and circumferential) variables. The approach is presented to investigate this problem, by employing the method of separation of variables, Euler equations and complex Fourier series. Firstly, the governing equations of problem are extracted and... 

A new microfluidic device is introduced for sorting the particles based on the hydrodynamic resistance induced in a microchannel which is not needed for additional detection or sorting modules. Hydrodynamic resistance affects physical properties, such as size and deformability of the particle. This device could apply application in cell sorting for remedies, diagnostics, and industrial applications. The device design is performed using an equivalent resistance model, and also numerical simulations are performed. For validation of the results, they are compared with experimental results. Moreover, we will discuss threshold particle size and will introduce a way to approximate it to ... 

Bridges play a vital role in road-related transport industries. Significant changes to contemporary bridge design specifications have also been mainly related to strength issues. The transitions from allowable stress design to load factor design, and more recently to load and resistance factor design (LRFD), reflect this line of thinking. It is important to note that in the early 1970s, bridge engineers developed criteria for steel bridge details to protect against fatigue and fracture failure. These were indeed service life design provisions. By industry growth and extensive need for goods transportation, there is a need for the construction of new bridges and renewal of older bridges plus... 

In the area of material studies, the atom structure models are the basis of all simulations and methods. With improvements in computers power, these models have become more consistent with experimental results. New theoretical methods combined with supercomputers assist to an understanding with detail and accuracy of material behavior at the atomic scale that leads to develop of the Computational Materials Science. Recently, developments in fields such as quantum mechanics, statistical physics, solid-state physics, quantum chemistry, computer science and graphics, allowed for faster computing which leads a powerful tool for material calculations and designs. New computer applications allow... 

The interface behavior of rock-concrete joints and between concrete layers influence the behavior of concrete dam structures. In this study, a modified direct shear test (DST) was implemented in the laboratory to evaluate the interface behavior between 1) rock and conventional vibrated concrete (CVC), 2) rock and roller compacted concrete (RCC), 3) CVC and RCC and 4) two layers of RCC. Two series of in-situ shear tests were also carried out on rock-concrete joints. The friction angle and adhesion for all tested interfaces were determined and analyzed. The effect of uniaxial compressive strength (UCS) of concrete on the interface behavior was determined. Additionally, the effect of surface... 

In these days world, the increasing growth of Nanotechnology has caused to invent and create new numerical and also computational methods which have more abilities and capabilities for evaluating systems in this scale. Although Some techniques, such as Molecular Dynamics Methods are capable of evaluating nanostructures, lack the ability to simulate large systems of practical size and time scales which is the most important index during the simulation. Therefore, in order to be able to produce an acceptable exact simulation of a large model, simulation of which is limited by the computational cost of the current molecular dynamics methods at hand, Coarse-Graining technique has recently become... 

The development of Nanotechnology increasingly has elevated the urgency for the expansion of modern numerical and computational methods that have evaluating systems with capability at this scale. In spite of being fully capable of evaluating nanostructures, the existing techniques, such as Molecular Dynamics Methods, lack the ability to simulate large systems of practical size and time scales. Thus, being able to create a large model of realistic simulation, which is confined by the computational expense of the running Molecular Dynamics methods at hand, Coarse-Graining technique has recently become a very effective and beneficial method which refers to the development of simplified models of... 

In this thesis ،molecular dynamics simulation of structural and mechanical properties of pure aluminium and copper crystals as well as of the alloyed crystals including 10%,30%,50%,70% and 90% aluminium alloyed have been investigated using two various all-atom and coarse-grained models. Molecular dynamics simulations calculate the realistic behavior of the system and then use them in order to calculate the time average properties of the system. Embedded atom method (eam) and the numerical iterative Boltzmann Inversion method are employed to describe the interaction between atoms. The results are then compared with coarse-grained model. The demonstrated peaks in the radial distribution... 

Global collapse in earthquake engineering refers to the inability of a structural system to sustain gravity loads when subjected to seismic excitation. Dynamic instability phenomena in exist buildings have a key position and for this reason strict criteria in structural seismic assessing codes presented for avoiding this phenomena. At this study, dynamic instability of five designed concrete buildings with moment frame system, mixed up 3, 6, 9, 12 and 15 story building, are investigated. P-delta effects, deterioration in strength and stiffness and cyclic deterioration in structural components considered in this investigation. For modeling nonlinear behavior of elements, experimental results... 

The ever-increasing growth of Nanotechnology has elevated the necessity for the development of new numerical and computational methods that are better capable of evaluating systems at this scale. The existing techniques, such as Molecular Dynamics Methods, in spite of being fully capable of evaluating nanostructures, lack the ability to simulate large systems of practical size and time scales. Therefore, in order to be able to provide a realistic simulation of a large model, simulation of which is limited by the computational cost of the current molecular dynamics methods at hand, Coarse-Graining technique has recently become a very effective and beneficial method which refers to the... 

In this study, a pioneer multiscale hierarchical molecular dynamics (MD) – finite element (FE) coupling method is proposed to illustrate the influence of large deformation on mechanical properties of heterogeneous nano-crystalline structures. The embedded-atom method (EAM) of many-body interatomic potential is applied to evaluate pairwise interactions between atoms in the metallic alloys with face-centered-cubic (FCC) lattice structure at room temperature. In addition, the Nose-Hoover thermostat is used to control the instability of temperature. A weight average between the lattice parameters of atomic structures is utilized in order to calculate the equivalent lattice parameter. The... 

In this work, we investigate the application of coarse graining (CG) methods to molecular dynamics (MD) simulations. These methods provide access to length and time scales previously inaccessible to traditional materials, simulation techniques. However, care must be taken when applying any coarse graining strategy to ensure that we preserve the material properties of the system we are interested in. The most prominent of these techniques is the so called multi scale coarse graining (MS-CG) method. In this study we will focus on the modeling of crystalline Nano structures using coarse graining as one of the approaches in multi scale analysis the force matching method is mainly followed to... 

The molecular dynamic (MD) method was first reported by Alder and Wainwright in the late 1950s to study the interaction of hard spheres. Molecular dynamic (MD) simulation is a technique for computing equilibrium and forwarding properties for classical many-body systems. This is a reasonable and often excellent approximation for a wide range of systems and properties. Although molecular dynamics method provide the kind of detail necessary to resolve molecular structure and localized interaction, this fidelity comes with a price. Namely, both the size and time scales of the model are limited by numerical and computational boundaries.The multi scale approach taken by the computational materials... 

In this study, a modern multiscale sequential molecular dynamics (MD) – finite element (FE) coupling method is proposed to represent the role of grain boundary (GB) planar defect on mechanical properties of crystalline structures at various temperatures. Different Grain Boundary misorientation angle is considered and the temperature varies from 0 up to 800 K. The embedded-atom method (EAM) many-body interatomic potential is implemented to consider pairwise interactions between atoms in the crystalline structures with face-centered-cubic (FCC) lattice structure at different temperatures. In addition, the Nose-Hoover thermostat is employed to adjust the fluctuation of temperature. The atomic... 

In this study, a novel and unprecedented multi-scale hierarchical molecular dynamics (MD) – finite element (FE) coupling method is proposed to demonstrate the influence of temperature on mechanical properties of heterogeneous Nano-crystalline structures. The embedded-atom method (EAM) many-body interatomic potential is implemented to consider pairwise interactions between atoms in the metallic alloys with face-centered-cubic (FCC) lattice structure at different temperatures. In addition, the Nose-Hoover thermostat is employed to adjust the fluctuation of temperature. In order to calculate the equivalent lattice parameter, a weight average between the lattice parameters of atomic structures... 

In this study, a novel multi-scale hierarchical method has been employed to explore the role of edge dislocation on Nano-plates with hexagonal atomic structure in large deformation. multiscale hierarchical atomistic/molecular dynamics (MD) finite element (FE) coupling methods are proposed to demonstrate the impact of dislocation on mechanical properties of Magnesium in large deformation. The atomic nonlinear elastic parameters are attained via computing first-order derivation of stress with respect to strain of Representative Volume Element (RVE). To associate between atomistic and continuum level, the mechanical characteristics are captured in the atomistic scale and transferred to the...