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    Multiscale Simulation of Carbon Nanotubes Using Coupled Atomistic- Continuum Modeling

    , M.Sc. Thesis Sharif University of Technology Motezaker, Mohsen (Author) ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Supervisor)
    Abstract
    Carbon nanotubes are cylinders in Nano scale formed of carbon atoms with covalent bonds that contain a significant electrical and mechanical features. Carbon nanotubes are divided into two main types: multi-walled carbon nanotubes (MWCNTs) and single walled carbon nanotubes (SWCNTs). A SWCNT is a rolled graphene sheet (graphene is in fact a single sheet of graphite). SWCNTs has lately been considered as one of most interesting research cases. The reason why researchers have been fond of investigating about graphene has been its unconventional quantum hall effects, high room-temperature electrical conductivity and its mechanical stability despite of being composed of single layer atom... 

    Multiscale Multiphysics Analysis of Deformable Microwave Metasurfaces Under Large Deformations and Prototype Fabrication

    , Ph.D. Dissertation Sharif University of Technology Karimi Mahabadi, Rayehe (Author) ; Naghdabadi, Reza (Supervisor) ; Sohrabpour, Saeed (Supervisor) ; Goudarzi, Taha (Co-Supervisor)
    Abstract
    Electromagnetic metamaterials are designed artificial materials with sub-wavelength resonant inclusions. They can exhibit extraordinary properties such as negative permittivity, negative permeability, and anomalous reflection/refraction. Metasurfaces are 2D counterparts of metamaterials. Here, we proposed a framework for the multiscale multiphysics analysis of deformable metasurfaces. Nonlinear mechanical analysis (Geometry and material behavior), periodic boundary conditions, homogenization, multiscale analysis, and electromagnetic analysis are implemented in this framework. Benefiting from the framework, we proposed a multifunctional hyperelastic structured surface that can generate... 

    Data-driven Formulation of a Super Element for FE Analysis of Lattice Structures

    , M.Sc. Thesis Sharif University of Technology Ashrafian, Ali (Author) ; Asghari, Mohsen (Supervisor) ; Hosseini, Ehsan (Supervisor)
    Abstract
    Additive manufacturing enables fabricating lattice structures with tailored mechanical responses based on lattice materials. Full exploitation of such a possibility requires reliable and efficient mechanical analysis tools to be explored by topology optimization algorithms for designing the interior architecture of the structures to meet the desired mechanical behavior. However, detailed mechanical analysis of lattice-based structures using the conventional finite element approach is prohibitively expensive due to lattices’ complex and fine features that demand adopting very fine space discretization. As an alternative, equivalent models based on the homogenization principle have widely been... 

    A continuum-atomistic multi-scale technique for nonlinear behavior of nano-materials

    , Article International Journal of Mechanical Sciences ; Volume 148 , 2018 , Pages 191-208 ; 00207403 (ISSN) Khoei, A. R ; Sameti, A. R ; Kazerooni, Y. N ; Sharif University of Technology
    Elsevier Ltd  2018
    Abstract
    In this paper, a hierarchical RVE-based continuum-atomistic multi-scale procedure is developed to model the nonlinear behavior of nano-materials. The atomistic RVE is accomplished in consonance with the underlying atomistic structure, and the inter-scale consistency principals, i.e. kinematic and energetic consistency principals, are exploited. To ensure the kinematic compatibility between the fine- and coarse-scales, the implementation of periodic boundary conditions is elucidated for the fully atomistic method. The material properties of coarse-scale are modeled with the nonlinear finite element method, in which the stress tensor and tangent modulus are computed using the Hill-Mandel... 

    Hydraulic Crack Propagation in Heterogeneous Reservoir Based on Extended Multi-Scale Finite Element Method

    , Ph.D. Dissertation Sharif University of Technology Hajiabadi, Mohammad Reza (Author) ; Khoei, Amir Reza (Supervisor)
    Abstract
    Many natural and engineering materials have a heterogeneous structure at a certain level of observation. These materials are often referred to as composite materials or multi-phase materials or heterogeneous materials. It has been widely recognized that many macroscopic phenomena originate from the mechanics of the microstructural constituents, such as inclusions, cracks, voids, etc. The size, shape, spatial distribution, volume fraction and properties of the microstructural constituents have a significant impact on the behavior of the material observed at the macroscale. The nature of hydrocarbon reservoirs as multi-phase porous media are known for heterogeneous media at various multiple... 

    Mechanical Behavior Analysis of Biological Cells Using an Electrostatically Actuated Microbeam

    , M.Sc. Thesis Sharif University of Technology Esmaeilpour Charandabi, Sina (Author) ; Firoozbakhsh, Keikhosrow (Supervisor)
    Abstract
    Researches in last decades have shown that biological cell’s functionality is related to the way of their deformation in response to forces and stresses exerted on the cell. Therefore designing microsensors with easy and economical applicationswhich are capable for determining cell mechanical properties seems to be logical. In this project using an electrostatically actuated microbeam with both clamped ends equipped with an indenter at midpoint to transmit force on the cell, proposed as a technique to apply axial load on the cell. Inthis research by implementation of approximated methods for solving nonlinear algebraic and differential equations, governing on microbeam deflection, it has... 

    Application of Dynamics Multi-scale Modeling of Dislocation in Nano-Crystalline Materials

    , M.Sc. Thesis Sharif University of Technology Karimi, Hossein (Author) ; Khoei, Amir Reza (Supervisor)
    Abstract
    Dislocations are one of the most important classes of defects in crystals. They have significant effects on the physical properties of crystals. They could be primarily created during the formation of a crystal or during the loading on specimen. Dislocation’s movement due to stress is the main cause of crystal plasticity. Since dislocation is a change in perfect crystal structure it is possible to identify it in the molecular level. However, the high computational cost of the MD level, has led researchers to using the multi-scale methods. Researchers have used many various multi-scale methods to study dislocations. The method used in this paper is based on energy. Total energy of system for... 

    Multisclae Modeling Of Regular Collagenous Soft Tissues

    , Ph.D. Dissertation Sharif University of Technology Fallah, Ali (Author) ; Ahmadian, Mohammad Taghi (Supervisor) ; Firozbakhsh, Keikhosro (Supervisor) ; Mohammadi Aghdam, Mohammad (Co-Supervisor)
    Abstract
    In this study, mechanical behavior of soft tissue is investigated considering its hierarchical structure. The elastic and viscoelastic behavior of tissue is investigated using multisclae methods. To this end, the tissue is considered as nonlinear composite material consists of non fibrillar matrix reinforced by the collagen fibers. A physically motivated constitutive model is proposed to predict the tisues constitutents behavior. The numerical homogenization is preforemd with the aid of the ABAQUS software and the UMAT subroutine. The results of the presented study is validated with the available experimental results in the literature. Results show that the increasing the loading rate can... 

    A Combined Molecular Dynamics-Coarse Graining Technique for Modeling the Mechanical Behavior of Crystalline Nano-Structures

    , M.Sc. Thesis Sharif University of Technology Mohammad Reza, Kimia (Author) ; Khoei, Amir Reza (Supervisor) ; Jahanshahi, Mohsen (Co-Supervisor)
    Abstract
    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... 

    A bridge between dual porosity and multiscale models of heterogeneous deformable porous media

    , Article International Journal for Numerical and Analytical Methods in Geomechanics ; 2018 ; 03639061 (ISSN) Hajiabadi, M. R ; Khoei, A. R ; Sharif University of Technology
    John Wiley and Sons Ltd  2018
    Abstract
    In this paper, a multiscale homogenization approach is developed for fully coupled saturated porous media to represent the idealized sugar cube model, which is generally employed in fractured porous media on the basis of dual porosity models. In this manner, an extended version of the Hill-Mandel theory that incorporates the microdynamic effects into the multiscale analysis is presented, and the concept of the deformable dual porosity model is demonstrated. Numerical simulations are performed employing the multiscale analysis and dual porosity model, and the results are compared with the direct numerical simulation through 2 numerical examples. Finally, a combined multiscale-dual porosity... 

    A continuum–atomistic multi-scale analysis of temperature field problems and its application in phononic nano-structures

    , Article Finite Elements in Analysis and Design ; Volume 198 , 2022 ; 0168874X (ISSN) Yasbolaghi, R ; Khoei, A. R ; Sharif University of Technology
    Elsevier B.V  2022
    Abstract
    In this paper, a novel coupling technique is developed in continuum–atomistic multi-scale analysis of temperature field problems. In this manner, a new thermostat is introduced based on the single-atom sub-system, where its capability to control the temperature and produce the canonical ensemble is investigated. Moreover, the performance of proposed thermostat is verified by comparing the distribution of velocities to the Maxwell-Boltzmann distribution. The single-atom sub-system thermostat is then incorporated into the concurrent multi-scale model to relate the temperature field between the continuum and atomistic domains with complex lattice thermal fields. In order to illustrate the... 

    A bridge between dual porosity and multiscale models of heterogeneous deformable porous media

    , Article International Journal for Numerical and Analytical Methods in Geomechanics ; Volume 43, Issue 1 , 2019 , Pages 212-238 ; 03639061 (ISSN) Hajiabadi, M. R ; Khoei, A. R ; Sharif University of Technology
    John Wiley and Sons Ltd  2019
    Abstract
    In this paper, a multiscale homogenization approach is developed for fully coupled saturated porous media to represent the idealized sugar cube model, which is generally employed in fractured porous media on the basis of dual porosity models. In this manner, an extended version of the Hill-Mandel theory that incorporates the microdynamic effects into the multiscale analysis is presented, and the concept of the deformable dual porosity model is demonstrated. Numerical simulations are performed employing the multiscale analysis and dual porosity model, and the results are compared with the direct numerical simulation through 2 numerical examples. Finally, a combined multiscale-dual porosity... 

    A bridge between dual porosity and multiscale models of heterogeneous deformable porous media

    , Article International Journal for Numerical and Analytical Methods in Geomechanics ; Volume 43, Issue 1 , 2019 , Pages 212-238 ; 03639061 (ISSN) Hajiabadi, M. R ; Khoei, A. R ; Sharif University of Technology
    John Wiley and Sons Ltd  2019
    Abstract
    In this paper, a multiscale homogenization approach is developed for fully coupled saturated porous media to represent the idealized sugar cube model, which is generally employed in fractured porous media on the basis of dual porosity models. In this manner, an extended version of the Hill-Mandel theory that incorporates the microdynamic effects into the multiscale analysis is presented, and the concept of the deformable dual porosity model is demonstrated. Numerical simulations are performed employing the multiscale analysis and dual porosity model, and the results are compared with the direct numerical simulation through 2 numerical examples. Finally, a combined multiscale-dual porosity...