Search for: multiscale-models
Total 52 records
Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites, Article Physics Letters, Section A: General, Atomic and Solid State Physics ; Volume 375, Issue 14 , 2011 , Pages 1588-1597 ; 03759601 (ISSN) ; Sadeghi, M ; Naghdabadi, R ; Rafii Tabar, H ; Sharif University of Technology
A combination of molecular dynamics (MD), continuum elasticity and FEM is used to predict the effect of CNT orientation on the shear modulus of SWCNT-polymer nanocomposites. We first develop a transverse-isotropic elastic model of SWCNTs based on the continuum elasticity and MD to compute the transverse-isotropic elastic constants of SWCNTs. These constants are then used in an FEM-based simulation to investigate the effect of SWCNT alignment on the shear modulus of nanocomposites. Furthermore, shear stress distributions along the nanotube axis and over its cross-sectional area are investigated to study the effect of CNT orientation on the shear load transfer
Numerical Multiscale Modelingof Cardiovascular System, M.Sc. Thesis Sharif University of Technology ; Firoozabadi, Bahar ; Saeedi, Mohammad Saeed
One of the main reasons of brain attack is stenosis in Carotid bifurcation. As a result, it's a major field of interest for a large group of scientists including medical doctors and engineers. In the engineering fields a large number of studies have been done on this topic based on Numerical Simulation. As blood boundary conditions in this region strictly depend on the rest of the body's vascular system, the problem is the definition of the boundary condition in this approach. In addition, because of lack of enough hardware sources simulation of the whole blood system is impossible; thus the rest of the system should be simulated based on radical methods with less details. In this project a...
Multi-scale Modeling of Crack Using Nano-XFEM, M.Sc. Thesis Sharif University of Technology ; Haddadpour, Hassan
In this thesis a mutliScale model based on the Cauchy-Born hypothesis and via usage of XFEM is proposed for crack modeling. By solving an example, the important of surface effects in the surface stresses region is shown. Considering not being able to model the surface effects with the Cauchy-Born method, the boundary Cauchy-Born method for modeling crack effects is used. Moreover, three Molecular Dynamics method for modeling crack will be proposed. According to the obtained results from these methods, it was deduced that for calculating the correct surface stresses in Molecular Dynamics the mutual interaction of upper and lower atoms of crack should be omitted. Finally, the validation of...
A Temperature Dependant Multiscale Modeling of Crack Growth in Nano Materials, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
The fact that materials and crack behave differently under different temperatures, brings a need for further investigation in this field. Recent studies regarding this behavior are mainly based on molecular dynamic method. While this method garuntee a highpercicion, the computational costs of this method can be high when dealing with crack propagation problem. Taking advantage of multiscale methods allows us to overcome this challenge by reducing the calculation time while providing acceptable results. In this research a multi-scale method capable of considering thermal effects has been developed. A concurrent model is created by using theory of elasticity for continuum part and taking...
Mechanical Behavior Analysis of Carbon Nanotube-Based Polymer Composites using Multiscale Modeling, Ph.D. Dissertation Sharif University of Technology ; Naghdabadi, Reza ; Rafii Tabar, Hashem ; Bagheri, Reza
In this project, two multiscale modeling procedures have been implemented to study the mechanical behavior of SWCNT/polymer composites. First, a new three-phase molecular structural mechanics/ finite element (MSM/FE) multiscale model has been introduced which consists of three components, i.e. a carbon nanotube, an interphase layer and outer polymer matrix. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. Using this model, we have investigated the macroscopic material properties of nanocomposite with and without considering the interphase and compared the results with molecular dynamics (MD) simulations....
Temperature-Dependent Hierarchical Multi-Scale Modeling of Nano-Materials Considering Surface Effect, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
In continuum mechanics, the constitutive models are usually based on the Cauchy-Born (CB) hypothesis which seeks the intrinsic characteristics of the material via the atomistic information and it is valid in small deformation. The main purpose of this thesis is to investigate the temperature effect on the stability and size dependency of Cauchy-Born hypothesis and a novel temperature-dependent multi-scale method is developed to investigate the role of temperature on surface effects in the analysis of nano-scale materials. Three-dimensional temperature-related Cauchy-Born formulation are developed for crystalline structure and the stability and size dependency of temperature-related...
Concurrent Multi-Scale Approach for Modeling Mechanical Behavior of Crystalline Nano-Structures, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
Mindboggling advances in nanotechnology have urged researchers to develop state-of-the-art numerical methods to enable them to simulate and to interpret phenomena at this scale. Unfortunately, Classical models have numerous shortcomings which hinder their applications in new contexts. For instance, classical Continuum Mechanics fails to appropriately depict material behavior at small scales, and, on the other hand, Molecular Dynamics simulations are computationally prohibitive. As a consequence, researchers have devised multi-scale methods during the past decade to overcome these obstacles. In fact, in multi-scale methods information is passed from one mathematical description to the other....
Multiscale Modeling of Carbon Nano Structures Using Tersoff Potential Function, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
During the last decade, thanks to a combination of exploding computational power and improved physical insight into material behavior, continuum and atomistic simulations improved greatly. Both classes of methods are now used to solve problems, which are more complicated than ever with greater accuracy than ever before. Nevertheless, there still exist problems for which neither method alone is sufficient. In general, atomistic simulations cannot be used for such length scales due to the restrictions on the number of atoms that can be simulated, along with the time scales, which they can be simulated for. In contrast, continuum simulations tend to fail at the atomic scale, for example due to...
Multi Scale Modeling of Carbon Nano Structures Using Brenner Potential Function, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
Due to high cost and ineffectiveness of molecular models a new method for coupling continuum models with molecular models is used. In this method, the continuum and molecular domains are overlapped. Comparing the results obtained from the concurrent simulations and molecular dynamic simulations proves the accuracy of the method used. The method is used for modeling single layered graphene sheets, stress contours are presented for multiscale and both static and dynamic simulations of concurrent. For multiscale simulations two different carbon nano tubes are investigated and strees-bond angle and strees-bond length are also presented
Hierarchical Multiscale Modeling in Large and Plastic Deformations, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
In this study, the hierarchical multiscale method is presented to model macro-scale materials with considering large and plastic deformations. Since the classic methods such as continuum mechanics were unable to model defects such as dislocations, voids, and etc. at nano scale. Also, the molecular dynamics methods have high computational costs; hence, recearchers try to develop multiscale methods in order to utilize them. Multiscale modeling in which two scales are considered and some information be transferred from fine scale to coarse scale. In this work, the coarse scale is modeled by finite element method (FEM) and the fine scale is analysed by molecular dynamics (MD). In fact, two...
Calculation of Heterogenous Material Properties by Using of Eshelby based and BEM Methods, M.Sc. Thesis Sharif University of Technology ; Hosseini Kordkheili, Ali
To days the heterogeneous material are used extensively in the engineering materials. Optimization ability is a key feature of these materials to reach desired properties. Heterogeneous materials are the materials that make up from the constituents of multiphase materials in lower length scale such as mesoscopic, microscopic or/and Nano scales. So the properties of these materials at each scale are depending on to several characteristics of heterogeneities such as geometry, material and packing. In these materials the effects of heterogeneities at the lower scales are very significant and the constitutive equations are different for each range of scale. The proper selection of this range...
A Multi-Scale Method for Modeling and Analysis of the Creep Behavior in Composite plates, M.Sc. Thesis Sharif University of Technology ; Hosseini Kordkheili, Ali
Polymer matrix composites, which are composed of a wide variety of short or long fibers bound together by organic polymer matrix, have been widely utilized in many engineering aeras, particularly in aerospace engineering. Recently, studying and analyzing the mechanical behavior of composites was one of the major reaserch interests. Regarding the vast variety of data drived from experimental tests, a requirement of tools that could facilitate estimating creep properties of materials is an important concern for researchers. The present work at first, introduces some major creep models and then proposes a 3D creep Burgers model for implementing in abaqus which could be used in macro phase. This...
Hybrid Multiscale Modeling of Cancer Cell Behavior, Ph.D. Dissertation Sharif University of Technology ; Habibi, Jafar
Cancer is a class of diseases characterized by out-of-control cell growth. Cancer is among the leading causes of death worldwide.Cancer modeling is increasingly being recognized as a powerful tool to refine hypotheses, focus experiments, and enable predictions that are more accurate.We investigate a three-dimensional multiscale model of vascular tumour growth, which couples blood flow, angiogenesis, vascular remodelling, nutrient/growth factor transport, movement of, and interactions between, normal and tumour cells. We constructed a hybrid multi- scale agent-based model that combines continuous and discrete methods.Each cell is represented as an agent. The agents have rules that they must...
Coupling 3D-1D for Blood flow Simulation in Carotid Bifurcation, M.Sc. Thesis Sharif University of Technology ; Firoozabadi, Bahar ; Saeedi, Mohammad Saeed
Recently, many investigations are done in the field of the modeling of the cardiovascular system. For the purpose of understanding of this system, mainly the location of formation and development of atherosclerosis, these investigations are so vital. The multi-scale modeling is an appropriate method to reduce the cost of calculation and also, this method simplifies the complicated model of cardiovascular system. This research presents a multi-scale 1D-3D modeling of cardiovascular system. In this model, the three dimensional geometry of carotid bifurcation is coupled with a one dimensional full model of cardiovascular system. We used some user defined function in the Fluent software for...
Coarse-Grain Multi-Scale Modeling for Numerical Simulation of Plastic Behavior in Nano-Scale Material, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
In this paper, a multiscale coarse graining method is developed on the basis of the force matching theorem in order to model the nonlinear behavior of crystalline material. In this framework, two scales are involved, i.e. the nano- and meso-scales. In each of scales, molecular dynamic simulations are employed with this difference that the fine scale is modeled via embedded atom method many body potential and at the coarse scale the simulation is based on pairwise potential. In addition, the linkage between fine and coarse scales is achieved by data transfer between two scales; in a way that required information for coarse grain analyses, i.e. inter-particle potential and coarse scale initial...
A Multi-Scale Method for Non-Linear Mechanical Behavior of Nanostructures Based on Coarse-Grained Model, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza ; Jahanshahi, Mohsen
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...
A Self-Consistence Numerical Method to Estimate Effective Mechanical Properties of Fibrous Composites, M.Sc. Thesis Sharif University of Technology ; Hosseini Kordkhaili, Ali
One of the most widely used methods in the study of the mechanical behavior of fiber-reinforced polymers is modeling and simulation of a unit cell behavior. According to the arrangement of composite materials, the unit cell is selected in order to include and represent actual constructions of the material. In this study a numerical self-consistence method is proposed to estimate effective properties of Carbon-epoxy composite materials. In this method, in addition of two main phases i.e. matrix and fiber, a phase of composite properties is also considered surrounding the unit cell. First using analytical and semi-empirical methods, the properties are calculated and are converged after...
Modelling and Simulation of Melanoma Cancer, Based on Cellular Automata Approaches, M.Sc. Thesis Sharif University of Technology ; Habibi, Jafar
Nowadays, M&S is critical as a powerful tool for human to fight against cancer. Skin cancer is one of the most widespread cancers and melanoma would be the most dangerous kind of it. In cancerous micro-environment, cancer cells interact with vasculature, and compete with normal cells over nutrients. This plays a major role in tumor progression pattern and speed. In recent years, a few multiscale models have been developed considering these phenomena. Such a model provides a platform for future researches, especially in drug effects prediction. A reliable simulation must satisfy the constraints and facts in the real world as much as possible. M&S credibility assessment is a major concern to...
Continuum Analysis of Defects Based on Atomistic Simulat, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza ; Jahanshahi, Mohsen
In this study, a new multi-scale hierarchical technique has been employed to investigate the role of temperature on nano-plates with hex atomic structure. Different number of primary edge dislocations is considered and the temperature varies from 0 up to 800 K. Primary edge dislocations are created by proper adjustment of atomic positions to resemble discrete dislocations (DD’s) and then the application of equations of motion to the relaxed configuration of this adjustment. The interatomic potential used for atomistic simulation is Finnis-Sinclair Embedded-Atom-Method (FS-EAM) as many-body interatomic potential and the Nose-Hoover thermostat has been implemented to adjust the modulation of...
Multi-scale Modeling of Heterogeneous Nano-materials Using Representative Volume Element, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza
In this paper a new multi-scale method is developed for modeling heterogeneous materials, this method is based on homogenization and it is classified as hierarchical multi-scale method. For simulating problems in continues media, finding the elastic tensor is necessity, in homogeneous material this tensor come down from Young’s modulus and poison’s ratio, however in Nano-scale problems specially in heterogeneous material, this solution does not work and need to revise. To deal with heterogeneity in these problems homogenization by a representative volume element is a novel method. The properties of material is imported from RVE in each step of solving problem to larger scale, and by...