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    Numerical Modeling of a Nano Crack in Fcc Solids Using RKPM Based Dipolar Gradient Elasticity

    , M.Sc. Thesis Sharif University of Technology Shariatzadeh, Babak (Author) ; Mohammadi Shodja, Hosain (Supervisor)
    Abstract
    In many structures, crack creation is one of the most significant fracture mechanisms. To predict these fracture mechanisms accurate numerical modeling is necssary. Finite Element Method (FEM) is one of the substantial methods in analysis of numerical fracture problems in recent past decades. But, this method has difficulties in remeshing of elements in each step of calculation in fracture mechanics or large deformation analysis. Therefore, the theory was defined that, without using elements, just with setting of characteristics nodes in geometry of problem, the differential equations can be solved. These methods are called Meshfree or Meshless methods. RKPM is a new meshfree method for... 

    Analysis and Test of Magnetic Behavior of Special Materials and its Nano Scaling Behavior

    , M.Sc. Thesis Sharif University of Technology Aram, Mohammad Hassan (Author) ; Rashidian, Bijan (Supervisor)
    Abstract
    In the first part of this thesis, limitations on magnetic field distribution are studied. After that methods of creating high gradient magnetic field and limitations on it is discussed. In the second part, magnetic properties of materials and the effect of particle shape and size on these properties are studied. In this part a comprehensive analysis on demagnetizing field inside magnetic bodies is also conducted and its dependence on material susceptibility and shape is discussed. At the end of this part the effect of particle shape and size on its hysteresis loop is demonstrated theoretically, practically and by computer simulation. In order to ... 

    Nonlocal Nanoscale Modeling of Shape Memory Alloys Behavior Using Finite Element Method

    , M.Sc. Thesis Sharif University of Technology Soveity, Salem (Author) ; Naghdabadi, Reza (Supervisor) ; Sohrabpour, Saeed (Supervisor)
    Abstract
    Shape memory alloys (SMAs) are smart materials with the ability to recover their original shape. Growing the industrial and laboratory applications of SMAs, the study of their mechanical behavior is extremely important. Recently, the shape memory alloys have been investigated by empirical and experimental methods. The results show that these materials also in nano scale keep up their particular properties to a critical size. Because of the size dependence of the material properties at the nano scale, the constitutive models based on classical continuum mechanics cannot describe phenomena observed in the nano scale. For a successful application of SMAs at nano scale, nonlocal theory can be... 

    Innovative Theories of Micro and Nano Ellipsoidal Inclusion and Inhomogeneity in Magneto-electro-elastic Media with General Anisotropy

    , Ph.D. Dissertation Sharif University of Technology Rashidinejad, Ehsan (Author) ; Mohammadi Shodja, Hossein (Supervisor)
    Abstract
    In the current work, the two- and three-dimensional electro-elastic fields of periodically as well as arbitrarily distributed interacting quantum wires (QWRs) and interacting quantum dots (QDs) of arbitrary shapes within a piezoelectric matrix are studied analytically. The lattice mismatch between the QWR/QD and the barrier is accounted through prescribing an initial misfit strain field within the QWR/QD. The distinction between the electro-mechanical properties of the QWR/QD and those of the barrier is treated by introducing a novel electro-mechanical equivalent inclusion method in Fourier space (FEMEIM). Moreover, the theory can readily treat cases where the QWRs/QDs are multi-phase or... 

    Coarse-gained Multi-scale Modeling for Numerical Simulation of Nonlinear Behavior of Materials in Nano-scale

    , M.Sc. Thesis Sharif University of Technology Mohammadi, Khashayar (Author) ; Khoei, Amir Reza (Supervisor)
    Abstract
    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.... 

    Molecular Dynamics Simulation of Protein Channels

    , M.Sc. Thesis Sharif University of Technology Rismanian, Milad (Author) ; Saeedi, Mohammad Saeed (Supervisor) ; Firoozabadi, Bahar (Supervisor)
    Abstract
    By studying change of ion concentrations in animal cells, researchers have reach to important information about cell cycles such as cell growth, muscle cell contraction and cell migration. Manner and amount of passage of ions through cell membrane are basic information that for studying the cell cycle is required. In this thesis, by using two methods, Forward-Reverse constant velocity Steered Molecular Dynamics (FR-cv-SMD) and classical Equilibrium Molecular Dynamics (EMD), diffusion coefficient and Potential of Mean Force (PMF) of sodium and potassium permeation through their protein channels are obtained. For verification the molecular dynamics (MD) methods, diffusion coefficient of K+... 

    Modeling the Nonlinear Behavior of Nano-Materials Via Hierarchical RVE-based Multi-Scale Method

    , M.Sc. Thesis Sharif University of Technology Nikravesh Kazerooni, Yousef (Author) ; Khoei, Amir Reza (Supervisor)
    Abstract
    In this paper, a hierarchical RVE-based continuum-atomistic multiscale framework is established on the basis of the nonlinear finite element method and molecular dynamics simulation in order to model the geometric and material nonlinearities of deformable solids. In this framework, the coarse scale material properties required for nonlinear finite element method are directly exploited via fine scale atomistic simulation of atomic RVEs designated for each coarse scale integration point and required boundary conditions for atomic RVE simulation are achieved from the coarse scale kinematical response. In order to ensure the kinematical and energetic consistency between the two scales, the... 

    Mechanical Formulation for Pre-twisted Micro/Nano Beams Based on the Strain Gradient Theory

    , M.Sc. Thesis Sharif University of Technology Javadi Sigaroudi, Mohammad Javad (Author) ; Asghari, Mohsen (Supervisor)
    Abstract
    One of the extensively used, yet complex, structures in the industry is pre-twisted Micro/Nano beams. Studying their mechanical behavior helps to have a broader view of them. In this present study, explores and analyzes the behavior of a pre-twisted Micro/Nano beam with a quadrangular/rectangular cross-section using the strain gradient theory and modified couple stress theory. Using the calculus of variations and the Hamiltonian principle the elastodynamics governing partial differential equations of transverse deflection of the pre-twisted Micro/Nano beam with hinged-hinged boundary conditions are derived. Then the mechanical behavior of the pre-twisted Micro/Nano beam in static mode and... 

    Physicomechanical Properties of Porous Materials by Spark Plasma Sintering

    , Article Critical Reviews in Solid State and Materials Sciences ; Volume 45, Issue 1 , 2020 , Pages 22-65 Azarniya, A ; Azarniya, A ; Safavi, M. S ; Farshbaf Ahmadipour, M ; Esmaeeli Seraji, M ; Sovizi, S ; Saqaei, M ; Yamanoglu, R ; Soltaninejad, M ; Madaah Hosseini, H. R ; Ramakrishna, S ; Kawasaki, A ; Adams, S ; Reddy, M. V ; Sharif University of Technology
    Taylor and Francis Inc  2020
    Abstract
    Metallic or ceramic micro/nanoporous materials have attracted particular attention due to some interesting structural and functional properties. There exist a variety of methods for producing porous materials by which optimized features can be reached. Spark plasma sintering (SPS) is one of these new-emerging approaches. This technique is often combined with conventional technologies and produce a variety of porous structures with tailorable microstructure and physicomechanical properties. This review addresses SPS and obtainable porous materials with nanoscale and microscale microstructural features. The processing methods, microstructural phenomena, and physicomechanical properties of... 

    Nanotechnology-assisted EOR techniques: New solutions to old challenges

    , Article Society of Petroleum Engineers - SPE International Oilfield Nanotechnology Conference 2012 ; 2012 , Pages 382-396 ; 9781622761104 (ISBN) Ayatollahi, S ; Zerafat, M. M ; Sharif University of Technology
    SPE  2012
    Abstract
    Enhanced Oil Recovery techniques are gaining more attention worldwide as the proved oil reserves are declining and the oil price is hiking. Although many giant oil reservoirs in the world were already screened for EOR processes, the main challenges such as low sweep efficiency, costly techniques, possible formation damages, transportation of huge amounts of EOR agents to the fields especially for offshore cases, analyzing micro-scale multi-phase flow in the rock to the large scale tests and the lack of analyzing tools in traditional experimental works, hinder the proposed EOR processes. Our past experiences on using nanotechnology to the upstream cases, especially EOR processes, revealed... 

    Numerical study of material properties, residual stress and crack development in sintered silver nano-layers on silicon substrate

    , Article Scientia Iranica ; Volume 23, Issue 3 , 2016 , Pages 1037-1047 ; 10263098 (ISSN) Keikhaie, M ; Movahhedy, M. R ; Akbari, J ; Alemohammad, H ; Sharif University of Technology
    Sharif University of Technology  2016
    Abstract
    In order to improve the performance of thin film devices, it is necessary to characterize their mechanical, as well as electrical, properties. In this work, a model is developed for analysis of the mechanical and electrical properties and the prediction of residual stresses in thin films of silver nanoparticles deposited on silicon substrates. The model is based on inter-particle diffusion modeling and finite element analysis. Through simulation of the sintering process, it is shown how the geometry, density, and electrical resistance of the thin film layers are changed by sintering conditions. The model is also used to approximate the values of Young's modulus and the generated residual... 

    Modeling vibrational behavior of silicon nanowires using accelerated molecular dynamics simulations

    , Article Scientia Iranica ; Volume 27, Issue 2 , 2021 , Pages 819-827 ; 10263098 (ISSN) Nejat Pishkenari, H ; Delafrouz, P ; Sharif University of Technology
    Sharif University of Technology  2021
    Abstract
    The classical methods utilized for modeling nano-scale systems are not practical because of the enlarged surface e ects that appear at small dimensions. Contrarily, implementing more accurate methods is followed by prolonged computations as these methods are highly dependent on quantum and atomistic models, and they can be employed for very small sizes in brief time periods. In order to speed up the Molecular Dynamics (MD) simulations of the silicon structures, Coarse-Graining (CG) models are put forward in this research. The procedure involves establishing a map between the main structure's atoms and the beads comprising the CG model and modifying the parameters of the system so that the... 

    The second strain gradient theory-based Timoshenko beam model

    , Article JVC/Journal of Vibration and Control ; Volume 23, Issue 13 , 2017 , Pages 2155-2166 ; 10775463 (ISSN) Asghari, M ; Momeni, S. A ; Vatankhah, R ; Sharif University of Technology
    SAGE Publications Inc  2017
    Abstract
    The governing equations of motion, together with the associated boundary conditions, are derived for the second strain gradient Timoshenko micro- and nano-beams. The second strain gradient theory is a highly powerful nonclassical continuum theory, capable of capturing the size effects in micro- and nano-scale structures. In case studies, the static and free-vibration behaviors of a hinged-hinged beam are investigated utilizing the presented second strain gradient theory-based Timoshenko beam model. The obtained results are compared with those of the available models in the literature, which are based on the (first) strain gradient theory, the modified couple stress theory, and the classical... 

    Cell "vision": Complementary factor of protein corona in nanotoxicology

    , Article Nanoscale ; Volume 4, Issue 17 , 2012 , Pages 5461-5468 ; 20403364 (ISSN) Mahmoudi, M ; Saeedi-Eslami, S. N ; Shokrgozar, M. A ; Azadmanesh, K ; Hassanlou, M ; Kalhor, H. R ; Burtea, C ; Rothen Rutishauser, B ; Laurent, S ; Sheibani, S ; Vali, H ; Sharif University of Technology
    RSC  2012
    Abstract
    Engineered nanoparticles are increasingly being considered for use as biosensors, imaging agents and drug delivery vehicles. Their versatility in design and applications make them an attractive proposition for new biological and biomedical approaches. Despite the remarkable speed of development in nanoscience, relatively little is known about the interaction of nanoscale objects with living systems. In a biological fluid, proteins associate with nanoparticles, and the amount and the presentation of the proteins on their surface could lead to a different in vivo response than an uncoated particle. Here, in addition to protein adsorption, we are going to introduce concept of cell "vision",... 

    Biomimetic proteoglycan nanoparticles for growth factor immobilization and delivery

    , Article Biomaterials Science ; Volume 8, Issue 4 , 2020 , Pages 1127-1136 Zandi, N ; Mostafavi, E ; Shokrgozar, M. A ; Tamjid, E ; Webster, T. J ; Annabi, N ; Simchi, A ; Sharif University of Technology
    Royal Society of Chemistry  2020
    Abstract
    The delivery of growth factors is often challenging due to their short half-life, low stability, and rapid deactivation. In native tissues, the sulfated residual of glycosaminoglycan (GAG) polymer chains of proteoglycans immobilizes growth factors through the proteoglycans'/proteins' complexation with nanoscale organization. These biological assemblies can influence growth factor-cell surface receptor interactions, cell differentiation, cell-cell signaling, and mechanical properties of the tissues. Here, we introduce a facile procedure to prepare novel biomimetic proteoglycan nanocarriers, based on naturally derived polymers, for the immobilization and controlled release of growth factors.... 

    Degradation of BTEX in groundwater by nano-CaO2 particles activated with L-cysteine chelated Fe(III): enhancing or inhibiting hydroxyl radical generation

    , Article Water Supply ; Volume 21, Issue 8 , 2021 , Pages 4429-4441 ; 16069749 (ISSN) Sun, X ; Ali, M ; Cui, C ; Lyu, S ; Sharif University of Technology
    IWA Publishing  2021
    Abstract
    The simultaneous oxidation performance of benzene, toluene, ethylbenzene, and xylene (BTEX) by nanoscale calcium peroxide particles (nCaO2) activated with ferric ions (Fe(III)) and the mechanism of the enhancement of BTEX degradation by L-cysteine (L-cys) were investigated. The batch experimental results showed that the nCaO2/Fe(III)/L-cys process was effective in the destruction of BTEX in both ultrapure water and actual groundwater. A proper amount of L-cys could enhance BTEX degradation due to the promotion of Fe(II)/Fe(III) redox cycles by the participation of L-cys, but an excessive presence of L-cys would cause inhibition. Adding 1.0 mM L-cys to the nCaO2/Fe(III) system, the... 

    Effect of annealing-induced tensions on the mechanical failure of copper/copper interface in wafer-to-wafer hybrid bonding

    , Article ECS Journal of Solid State Science and Technology ; Volume 10, Issue 2 , 2021 ; 21628769 (ISSN) Ghaemi, M ; Jafary Zadeh, M ; Sharif University of Technology
    IOP Publishing Ltd  2021
    Abstract
    The copper/copper (Cu/Cu) interface has an important role in wafer-to-wafer hybrid bonding for 3D integration applications. Reports indicate the possibility of the formation of post-bonding interfacial voids and cracks which must be avoided. Here, we use molecular dynamics simulations to investigate the effect of annealing-induced tensions on the strength and deformation mechanisms of Cu/Cu interfaces. We perform tensile tests on the pristine and defective Cu/Cu interfaces including a prototypical interfacial grain boundary in two defective limits: the presence of a single (isolated) void, and an array of multiple voids. The latter resembles interfacial nanoscale roughness as a result of... 

    Control of planar motion of a magnetic microrobot using a novel electromagnetic actuation system

    , Article 4th International Conference on Manipulation, Automation, and Robotics at Small Scales, MARSS 2019, 1 July 2019 through 5 July 2019 ; 2019 ; 9781728109473 (ISBN) Yousefi, M ; Moradi, A ; Nejat Pishkenari, H ; Sharif University of Technology
    Institute of Electrical and Electronics Engineers Inc  2019
    Abstract
    A magnetic actuation system is a promising tool for untethered manipulation at the microscale that medical treatment can benefit from. This paper proposes a new magnetic actuation system that comprises of two coaxial coils on a rotary table. A fixed workspace is placed between coils. The proposed system is able to generate magnetic force with desired direction and magnitude in a plane. The conducted simulation and experiment confirm the capability of the proposed system to control the position of the microrobot. © 2019 IEEE  

    A 3D continuum-kinetic monte carlo simulation study of early stages of nucleation and growth in ni electrodeposition

    , Article Electrochimica Acta ; Volume 236 , 2017 , Pages 1-9 ; 00134686 (ISSN) Zargarnezhad, H ; Dolati, A ; Sharif University of Technology
    Elsevier Ltd  2017
    Abstract
    A 3D continuum code coupled with a kinetic Monte Carlo module has been developed for the simulation of Ni electrocrystallization in the initial stages of nucleation and growth. Mass transfer in solution was controlled by a finite-difference code which is distributed over an irregular nanoscale grid system in vertical direction to the substrate. Deposition events such as surface diffusion, chemisorption and crystallization in the system were considered in a KMC module that processes the output of a diffusion-controlled scheme in probability functions to model electrodeposition process on surface. Electrochemical data of this simulation was simultaneously generated according to analytical... 

    Bio-based UV curable polyurethane acrylate: Morphology and shape memory behaviors

    , Article European Polymer Journal ; Volume 118 , 2019 , Pages 514-527 ; 00143057 (ISSN) Salkhi Khasraghi, S ; Shojaei, A ; Sundararaj, U ; Sharif University of Technology
    Elsevier Ltd  2019
    Abstract
    Smart bio-based shape memory polymers with high performance and fast response have the exciting potential to meet the growing need in biomedical applications. In this study, novel fast response UV-curable shape memory polyurethane acrylates (SMPUAs) comprising polycaprolactone diols (PCL-Diol), hexamethylene diisocyanate (HDI) and hydroxy-methyl methacrylate (HEMA) were synthesized by two-step bulk polymerization. Two series of PUAs with almost the same amount of hard segment content (HSC) were prepared with varying soft-segment molecular weight (2000, 3000, and 4000 g/mol) and different molar ratios of constituents. A mono-functional reactive diluent was used to control HSC and reduce the...