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A Multiscale Methodology For Modeling Carbon Nanotube Mechanics With Discrete Element Method
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Book Synopsis A Multiscale Methodology for Modeling Carbon Nanotube Mechanics with Discrete Element Method by : Tyler O. Anderson
Download or read book A Multiscale Methodology for Modeling Carbon Nanotube Mechanics with Discrete Element Method written by Tyler O. Anderson and published by . This book was released on 2010 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Finite Element Modeling of Nanotube Structures by : Mokhtar Awang
Download or read book Finite Element Modeling of Nanotube Structures written by Mokhtar Awang and published by Springer. This book was released on 2015-10-24 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a new approach to modeling carbon structures such as graphene and carbon nanotubes using finite element methods, and addresses the latest advances in numerical studies for these materials. Based on the available findings, the book develops an effective finite element approach for modeling the structure and the deformation of grapheme-based materials. Further, modeling processing for single-walled and multi-walled carbon nanotubes is demonstrated in detail.
Book Synopsis Multiscale Modeling of Carbon Nanotube-based Nanocomposites Using Computational Mechanics Approach by : Moosa Salim Moosa Al-Kharusi
Download or read book Multiscale Modeling of Carbon Nanotube-based Nanocomposites Using Computational Mechanics Approach written by Moosa Salim Moosa Al-Kharusi and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multiscale Modeling by : Pedro Derosa
Download or read book Multiscale Modeling written by Pedro Derosa and published by CRC Press. This book was released on 2010-12-09 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
Book Synopsis Recent Developments in Modeling and Applications of Carbon Nanotubes by : Q. Wang
Download or read book Recent Developments in Modeling and Applications of Carbon Nanotubes written by Q. Wang and published by . This book was released on 2009-01-01 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon nanotubes are macromolecules of carbon in a periodic hexagonal arrangement with a cylindrical shell shape. Carbon nanotubes have been subjected to extensive research, with subsequent predictions of extremely high strength and exceptional electronic and thermal properties. They also hold substantial promise as fibers in composites and other devices for the development of superconductive devices for micro-electro-mechanical and nano-electro-mechanical system applications. It is expected that the material has great potential in biological, medical, energy storage, sensor, and other applications. It has been broadly recognized that atomic modeling of carbon nanotube is a powerful tool for analysis of carbon nanotube. Due to massive computations involved, the atomic modeling is limited to systems with a small number of molecules and atoms. On the other hand, attempts at applying continuum mechanics models to better investigate the analysis of carbon nanotube with large sizes have been initiated. However, continuum models are unable to adequately capture the atomic structures of carbon nanotube, and the applicability of the models needs to be justified. Recently, developments of multiscale methods have been proposed to the analysis of carbon nanotube. This book is dedicated to the publication of recent developments in modeling of carbon nanotube via atomic modeling, continuum modeling and multiscale methods for predictions of mechanical, electronic, and thermal properties of carbon nanotube. A wide range of fundamentally theoretical, computational topics on modeling and applications of carbon nanotube will be covered in the book. In addition, applications of carbon nanotubes as nano-devices in atomic and molecular transportations and bistable devices in switching or memory elements in signal processing and communications are also reported. It is with great pleasure that we present this book that covers a very wide and varied range of subject areas in modeling and applications of carbon nanotubes. The first chapter employs molecular dynamics simulations to show macroscopic flows of atomic and molecular hydrogen, helium, and a mixture of both gases both inside and outside a carbon nanotube. In particular, the simulations show a nanoseparation effect of the two gases. The new results in the chapter show the mass selectivity of the nanopumping effect can be used to develop a highly selective filter for various gases. The second chapter introduces a fine continuum model that is developed by virtue of the higher-order continuum theory. Moreover, a mesh-free computational framework is developed to implement the numerical simulation of single- walled carbon nanotubes. The rationality of the higher-order continuum model and the efficiency of mesh-free method are illustrated and discussed in the chapter. The study on the mechanics of buckled single-walled and multiwalled carbon nanotubes, carbon nanotube bundles and coupling effect between adjacent carbon nanotubes is reported in chapter three. Simple expressions of the buckle wavelength, amplitude and critical strain for buckling are given analytically, which show good agreement with experiments. Chapter 4 investigate the applicability of elastic shell model in analysis of graphene and carbon nanotubes. The author reports that the elasticity of graphene should be modeled as a shell composed of 2-dimensional (2D) isotropic materials with proper parameters rather than conventional 3D materials based on calculations by density functional theory. In addition, the elasticity of single-walled carbon nanotube with relative large radius can also be modeled as a shell composed of 2D isotropic materials, whereas the elasticity of single-walled carbon nanotubes with relative small radius should be modeled as a more complicated shell with seven elastic constants rather than the orthotropic thin shell. Mechanical integrity of carbon nanotubes is summarized in chapter 5. Young s modulus for the resistance to the infinitesimal deformation and ultimate strength to the finite deformation are tabled, which have been obtained by experiments, molecular dynamics simulations, and ab-initio calculations. Also the recent continuous modeling of carbon nanotubes is sorted out in tracing its advancement in the chapter. Chapter 6 presents an overview of studies on the wave propagation and the vibrational properties in carbon nanotubes by computational modeling and simulation. The models include the atomic-based continuum model, the Euler-beam model, the Timoshenko beam model, and the three-dimensional elastic shell model. Chapter seven reports the investigations of torsional buckling of both single-walled and double-walled carbon nanotubes. In the study of doubled-walled carbon nanotubes via molecular dynamics, a newly revealed buckling mode with one or three thin local rims on the outer tube is discovered while the inner tube shows a helically aligned buckling mode in three dimensions. The distinct buckling modes of the two tubes imply the inapplicability of continuum mechanics modeling in which it is postulated that the buckling modes of the constituent tubes have the same shape. The mechanical properties of single walled carbon nanotubes under both tensile and torsion are investigated using classical molecular dynamics simulations in chapter 8, based on reactive empirical bond-order potential. Based on the predicted mechanical properties, it is predicted that nanotubes may represent new candidates for novel porous, flexible and high strength and tough materials, e.g. ideal as scaffolds in the regenerative medicine. Bistable devices have been widely used as switching or memory elements in signal processing and communications. The bistablity is generally realized electrically or optically. Due to their small size and unique mechanical properties, carbon nanotubes have been proposed to form bistable devices mechanically. The chapter 9 reviews the recent advances of mechanical bistable devices of carbon nanotubes. In the final chapter, the authors have discussed a theoretical model based on kinetic concept of fracture of solids and molecular mechanics simulations for studying the time-dependent behavior of single-walled carbon nanotubes. The major advantage of this model is that the problem of real-time molecular level simulation is circumvented. Compared with recently published data on creep rupture of SWCNT ropes, it is seen that the predictions by the present model is quite reasonable, thus setting up a framework for modeling the time-dependent behavior of carbon nanotubes and their composites. We would like to extend our sincere thanks to the authors for their contributions, especially their precious time and efforts invested in the book. We also would like to thank Transworld Research Network Publishers for the opportunity to publish the book to address very important and challenging issues. The support and love from our families are deeply appreciated.
Book Synopsis Multiscale Methods and Application to the Mechanics of Carbon Nanotubes by : Wenwei Jiang
Download or read book Multiscale Methods and Application to the Mechanics of Carbon Nanotubes written by Wenwei Jiang and published by . This book was released on 2015 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation presents a study on the multiscale simulation methods and their application in the mechanical analysis of carbon nanotubes (CNTs). More specifically, four parts of work are presented in four chapters. In the first chapter, a class of Generalized Matching/Forcing Boundary Conditions (GMBCs/GFBCs) is established for the coupled atomistic/continuum simulation of lattice dynamics. This work is an extension of the Matching Boundary Conditions (MBC) originally proposed by Tang et al. Using the combination of Fourier Transform Technique and generalization of MBC/FBC for arbitrary wave numbers, a more efficient GMBC/GFBC implementation is developed. In the second chapter, a study on the cross-linking formations between single-walled CNTs (SWCNTs) by thermal welding treatment through MD simulation is presented. The objective is to investigate the possible enhancement in the mechanical strength of carbon nanotubes bundle with thermal welding treatment. It is shown that, with the thermal welding treatment, the mechanical strength of carbon nanotubes bundle increases significantly compared with the one in pristine CNT bundles. In the third chapter, a coarse-grained (CGMD) model is established for CNT. Unlike the force field in atomistic model that employs the many-body potential, the force field of coarse-grained model are established for group of atoms. Due to this important feature, the coarse-grained model can be implemented on the large scale model that is much more expensive for the full atomistic model to simulate. In the fourth chapter, a novel approach named virtual atom cluster (VAC) rod model is proposed since the computational cost can still be high for CGMD in studying the mechanics of CNT yarns with dimensions that are at least at the micron meter range. In this approach, the Virtual Atom Cluster (VAC) model and the CGMD model are integrated to enable multiscale simulation of CNTs at length scales compatible with the experimental observation. Based on the work presented, it is concluded in chapter 5 that the multiscale methodologies established for CNTs are robust and efficient. In addition, perspectives on future applications of the multiscale methods are briefly outlined.
Book Synopsis Modeling of Carbon Nanotubes, Graphene and Their Composites by : Konstantinos I. Tserpes
Download or read book Modeling of Carbon Nanotubes, Graphene and Their Composites written by Konstantinos I. Tserpes and published by . This book was released on 2013-11-30 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Mechanical Behaviors of Carbon Nanotubes by : K.M. Liew
Download or read book Mechanical Behaviors of Carbon Nanotubes written by K.M. Liew and published by William Andrew. This book was released on 2016-12-25 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mechanical Behaviors of Carbon Nanotubes: Theoretical and Numerical Approaches presents various theoretical and numerical studies on mechanical behaviors of carbon nanotubes. The main theoretical aspects included in the book contain classical molecular dynamics simulation, atomistic-continuum theory, atomic finite element method, continuum plate, nonlocal continuum plate, and shell models. Detailed coverage is also given to structural and elastic properties, trace of large deformation, buckling and post-buckling behaviors, fracture, vibration characteristics, wave propagation, and the most promising engineering applications. This book not only illustrates the theoretical and numerical methods for analyzing the mechanical behavior of carbon nanotubes, but also contains computational results from experiments that have already taken place. Covers various theoretical and numerical studies, giving readers a greater understanding of the mechanical behavior of carbon nanotubes Includes multiscale methods that provide the advantages of atomistic and continuum approaches, helping readers solve complex, large-system engineering problems Allows engineers to create more efficient carbon nanotube structures and devices
Book Synopsis Carbon Nanotube-Reinforced Polymers by : Roham Rafiee
Download or read book Carbon Nanotube-Reinforced Polymers written by Roham Rafiee and published by Elsevier. This book was released on 2017-10-06 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon Nanotube-Reinforced Polymers: From Nanoscale to Macroscale addresses the advances in nanotechnology that have led to the development of a new class of composite materials known as CNT-reinforced polymers. The low density and high aspect ratio, together with their exceptional mechanical, electrical and thermal properties, render carbon nanotubes as a good reinforcing agent for composites. In addition, these simulation and modeling techniques play a significant role in characterizing their properties and understanding their mechanical behavior, and are thus discussed and demonstrated in this comprehensive book that presents the state-of-the-art research in the field of modeling, characterization and processing. The book separates the theoretical studies on the mechanical properties of CNTs and their composites into atomistic modeling and continuum mechanics-based approaches, including both analytical and numerical ones, along with multi-scale modeling techniques. Different efforts have been done in this field to address the mechanical behavior of isolated CNTs and their composites by numerous researchers, signaling that this area of study is ongoing. Explains modeling approaches to carbon nanotubes, together with their application, strengths and limitations Outlines the properties of different carbon nanotube-based composites, exploring how they are used in the mechanical and structural components Analyzes the behavior of carbon nanotube-based composites in different conditions
Book Synopsis Equivalent-Continuum Modeling With Application to Carbon Nanotubes by :
Download or read book Equivalent-Continuum Modeling With Application to Carbon Nanotubes written by and published by . This book was released on 2002 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt: A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet, A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent-continuum models. As a result, an effective thickness of the continuum model has been determined.
Book Synopsis Multiscale Modeling with Carbon Nanotubes by :
Download or read book Multiscale Modeling with Carbon Nanotubes written by and published by . This book was released on 2006 with total page 44 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.
Book Synopsis Multiscale Investigations on Structural Properties and Mechanical Application of Carbon Nanotube Sheets by : Yunguang Ji
Download or read book Multiscale Investigations on Structural Properties and Mechanical Application of Carbon Nanotube Sheets written by Yunguang Ji and published by . This book was released on 2007 with total page 85 pages. Available in PDF, EPUB and Kindle. Book excerpt: The recent emergence of new nano-materials and nanostructures brings up the development of nanotube sheets or the so-called buckypapers for a variety of meaningful applications in actuating and mechanical properties alterations for structural and electromechanical systems. However, the technology of fabrication as well as the understanding of nanomechanics behaviors for nanotube sheets is still in its infancy. This motivates the present research aimed at investigating the mechanical strength properties and potential applications of buckypapers by using finite element methods, atomic scale modeling and simulation, and experimental tests. In the first part of the research, experiment-purpose buckypapers have been fabricated in house to investigate their contributions to the strengths of other macrostructures to which they are integrated. Toward this end, a finite element procedure has been developed for three-dimensional modeling of multilayered nanostructures having embedded buckypapers and the resulted natural frequencies increment due to the high stiffness of buckypapers are agreeably verified by experimental tests. In addition, the experimental testing results further imply that buckypapers have superior damping properties indicated by the clear reductions of the power spectral density readings affected by the buckypaper dampers. This first time investigated and verified profound damping characteristics of buckypapers may be useful for vibration suppression, acoustic noise reduction, and structural enhancement for materials and structures where add-on weight is a concern such as sports equipments and airframes. This theoretical and experimental finding of buckypapers' superior damping property is deemed to be the first major contribution of the dissertation research. To delve into the mechanical properties of carbon nanotubes and buckypapers, in the second part of the dissertation, the atomic scale models of carbon nanotubes and buckypapers are created for the investigation. Along this line, novel simulation models for single and multilayer buckypapers were built which enabled us to understand the bending stiffness and other mechanical properties of buckypapers through an atomic scaled analysis against the existing empirical methods. This new approach of analyzing and observing buckypaper's properties is the second contribution of this dissertation. The results from the simulation gave a reasonably expected Young's moduli for single wall carbon nanotubes comparing to those found in the literature; for single layer and multilayer buckypapers model, higher Young's moduli values obtained in the simulations than previous done experimental testings which are considered mainly due to the exclusion of such factors as particles impurity, uneven thickness, imperfect alignments, etc. Therefore, these higher values may represent the optimal goal of Young's moduli for buckypapers which could be achieved ultimately when their fabrication techniques are continuously improved in the future.
Book Synopsis Characterization of the Mechanical Properties of Carbon Nanotube-based Composites Using the Finite Element Method by :
Download or read book Characterization of the Mechanical Properties of Carbon Nanotube-based Composites Using the Finite Element Method written by and published by . This book was released on 2005 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon nanotubes (CNT) are being used extensively as reinforcing materials at nanoscale in developing new nanocomposites, because of their excellent mechanical properties. Incorporating CNTs in polymer matrices can potentially enhance the stiffness and strength of composites significantly when compared to those reinforced with conventional carbon fibers. However, retaining these outstanding properties at macro-scale poses a considerable challenge. To discover the ways for achieving this entails extensive experimental and simulation studies. Molecular dynamics (MD) simulations have been proved to be an excellent approach in characterizing nanocomposites. Nevertheless, MD is limited to nanoscale due to its extra-ordinary computational costs, which promoted the development and usage of alternate approaches for characterizing CNT reinforced composites at microscale. In this research one of these alternative approaches, the continuum mechanics approach using the finite element method, is employed to estimate the effective modulus of CNT reinforced composites and was successfully validated using other analytical (rule of mixtures) and MD methods. Large-scale models were developed, simulating CNTs using pipe elements for the first time. Results from these models reveal that there exists a limiting value for the length of long CNT, for effective load transfer. It was also observed that composites reinforced with long CNTs yield very high effective modulus compared to those with short CNTs. These results are found to be in good agreement with those obtained using MD and multi-scale constitutive modeling approaches.
Book Synopsis Mechanical Behaviors of Carbon Nanotubes by : K. M. Liew
Download or read book Mechanical Behaviors of Carbon Nanotubes written by K. M. Liew and published by . This book was released on 2016 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mechanical Behaviors of Carbon Nanotubes: Theoretical and Numerical Approaches presents various theoretical and numerical studies on mechanical behaviors of carbon nanotubes. The main theoretical aspects included in the book contain classical molecular dynamics simulation, atomistic-continuum theory, atomic finite element method, continuum plate, nonlocal continuum plate, and shell models. Detailed coverage is also given to structural and elastic properties, trace of large deformation, buckling and post-buckling behaviors, fracture, vibration characteristics, wave propagation, and the most promising engineering applications. This book not only illustrates the theoretical and numerical methods for analyzing the mechanical behavior of carbon nanotubes, but also contains computational results from experiments that have already taken place. Covers various theoretical and numerical studies, giving readers a greater understanding of the mechanical behavior of carbon nanotubes Includes multiscale methods that provide the advantages of atomistic and continuum approaches, helping readers solve complex, large-system engineering problems Allows engineers to create more efficient carbon nanotube structures and devices.
Book Synopsis Characterization of Carbon Nanotube Based Composites under Consideration of Defects by : Moones Rahmandoust
Download or read book Characterization of Carbon Nanotube Based Composites under Consideration of Defects written by Moones Rahmandoust and published by Springer. This book was released on 2015-10-14 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents the characterization methods involved with carbon nanotubes and carbon nanotube-based composites, with a more detailed look at computational mechanics approaches, namely the finite element method. Special emphasis is placed on studies that consider the extent to which imperfections in the structure of the nanomaterials affect their mechanical properties. These defects may include random distribution of fibers in the composite structure, as well as atom vacancies, perturbation and doping in the structure of individual carbon nanotubes.
Download or read book Multiscale Methods written by Jacob Fish and published by Oxford University Press. This book was released on 2010 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.
Book Synopsis Multiscale Modeling of Nano-Reinforced Aerospace Adhesives by : Jacob Wernik
Download or read book Multiscale Modeling of Nano-Reinforced Aerospace Adhesives written by Jacob Wernik and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
