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Multiscale Simulation Of The Mechanics Of Carbon Nanotubes
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Book Synopsis Multiscale Simulation of the Mechanics of Carbon Nanotubes by : Dong Qian
Download or read book Multiscale Simulation of the Mechanics of Carbon Nanotubes written by Dong Qian and published by . This book was released on 2002 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The discovery of carbon nanotubes has trigged a significant amount of interest in the research community. This is very much due to its impressive physical properties, which were revealed from both theoretical prediction and experimental measurement. The properties such as high strength, high stiffness, low density and structural perfection could make them ideal for many mechanical applications. An up-to-date review on the mechanics of carbon nanotubes is provided. The focus is on mechanical properties, such as Young's modulus, tensile and compressive strength, and buckling criteria. Single scale computational approaches such as classical molecular dynamics and continuum models are outlined.
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 Multiscale Simulations and Mechanics of Biological Materials by : Shaofan Li
Download or read book Multiscale Simulations and Mechanics of Biological Materials written by Shaofan Li and published by John Wiley & Sons. This book was released on 2013-03-19 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Simulations and Mechanics of Biological Materials A compilation of recent developments in multiscale simulation and computational biomaterials written by leading specialists in the field Presenting the latest developments in multiscale mechanics and multiscale simulations, and offering a unique viewpoint on multiscale modelling of biological materials, this book outlines the latest developments in computational biological materials from atomistic and molecular scale simulation on DNA, proteins, and nano-particles, to meoscale soft matter modelling of cells, and to macroscale soft tissue and blood vessel, and bone simulations. Traditionally, computational biomaterials researchers come from biological chemistry and biomedical engineering, so this is probably the first edited book to present work from these talented computational mechanics researchers. The book has been written to honor Professor Wing Liu of Northwestern University, USA, who has made pioneering contributions in multiscale simulation and computational biomaterial in specific simulation of drag delivery at atomistic and molecular scale and computational cardiovascular fluid mechanics via immersed finite element method. Key features: Offers a unique interdisciplinary approach to multiscale biomaterial modelling aimed at both accessible introductory and advanced levels Presents a breadth of computational approaches for modelling biological materials across multiple length scales (molecular to whole-tissue scale), including solid and fluid based approaches A companion website for supplementary materials plus links to contributors’ websites (www.wiley.com/go/li/multiscale)
Author :Konstantinos I. Tserpes Publisher :Springer Science & Business Media ISBN 13 :3319012010 Total Pages :341 pages Book Rating :4.3/5 (19 download)
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 Springer Science & Business Media. This book was released on 2013-10-15 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: A large part of the research currently being conducted in the fields of materials science and engineering mechanics is devoted to carbon nanotubes and their applications. In this process, modeling is a very attractive investigation tool due to the difficulties in manufacturing and testing of nanomaterials. Continuum modeling offers significant advantages over atomistic modeling. Furthermore, the lack of accuracy in continuum methods can be overtaken by incorporating input data either from experiments or atomistic methods. This book reviews the recent progress in continuum modeling of carbon nanotubes and their composites. The advantages and disadvantages of continuum methods over atomistic methods are comprehensively discussed. Numerical models, mainly based on the finite element method, as well as analytical models are presented in a comparative way starting from the simulation of isolated pristine and defected nanotubes and proceeding to nanotube-based composites. The ability of continuum methods to bridge different scales is emphasized. Recommendations for future research are given by focusing on what still continuum methods have to learn from the nano-scale. The scope of the book is to provide current knowledge aiming to support researchers entering the scientific area of carbon nanotubes to choose the appropriate modeling tool for accomplishing their study and place their efforts to further improve continuum methods.
Book Synopsis Nano Mechanics and Materials by : Wing Kam Liu
Download or read book Nano Mechanics and Materials written by Wing Kam Liu and published by John Wiley & Sons. This book was released on 2006-08-30 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanotechnology is a progressive research and development topic with large amounts of venture capital and government funding being invested worldwide. Nano mechanics, in particular, is the study and characterization of the mechanical behaviour of individual atoms, systems and structures in response to various types of forces and loading conditions. This text, written by respected researchers in the field, informs researchers and practitioners about the fundamental concepts in nano mechanics and materials, focusing on their modelling via multiple scale methods and techniques. The book systematically covers the theory behind multi-particle and nanoscale systems, introduces multiple scale methods, and finally looks at contemporary applications in nano-structured and bio-inspired materials.
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 Computational Multiscale Modeling of Multiphase Nanosystems by : Alexander V. Vakhrushev
Download or read book Computational Multiscale Modeling of Multiphase Nanosystems written by Alexander V. Vakhrushev and published by CRC Press. This book was released on 2017-10-10 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.
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 Multiscale Simulation Studies of Interactions of Carbon Nanotubes with Biopolymers and Lipid Bilayer by : Edita Sarukhanyan
Download or read book Multiscale Simulation Studies of Interactions of Carbon Nanotubes with Biopolymers and Lipid Bilayer written by Edita Sarukhanyan and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Mechanics of Carbon Nanotubes and Graphene by : Xu Huang
Download or read book Multiscale Mechanics of Carbon Nanotubes and Graphene written by Xu Huang and published by . This book was released on 2012 with total page 117 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multiscale Analysis of Deformation and Failure of Materials by : Jinghong Fan
Download or read book Multiscale Analysis of Deformation and Failure of Materials written by Jinghong Fan and published by John Wiley & Sons. This book was released on 2011-06-28 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting cutting-edge research and development within multiscale modeling techniques and frameworks, Multiscale Analysis of Deformation and Failure of Materials systematically describes the background, principles and methods within this exciting new & interdisciplinary field. The author’s approach emphasizes the principles and methods of atomistic simulation and its transition to the nano and sub-micron scale of a continuum, which is technically important for nanotechnology and biotechnology. He also pays close attention to multiscale analysis across the micro/meso/macroscopy of a continuum, which has a broad scope of applications encompassing different disciplines and practices, and is an essential extension of mesomechanics. Of equal interest to engineers, scientists, academics and students, Multiscale Analysis of Deformation and Failure of Materials is a multidisciplinary text relevant to those working in the areas of materials science, solid and computational mechanics, bioengineering and biomaterials, and aerospace, automotive, civil, and environmental engineering. Provides a deep understanding of multiscale analysis and its implementation Shows in detail how multiscale models can be developed from practical problems and how to use the multiscale methods and software to carry out simulations Discusses two interlinked categories of multiscale analysis; analysis spanning from the atomistic to the micro-continuum scales, and analysis across the micro/meso/macro scale of continuum.
Book Synopsis Recent Advances in Computational Mechanics and Simulations by : Sandip Kumar Saha
Download or read book Recent Advances in Computational Mechanics and Simulations written by Sandip Kumar Saha and published by Springer Nature. This book was released on 2020-11-13 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents selected papers from the 7th International Congress on Computational Mechanics and Simulation held at IIT Mandi, India. The papers discuss the development of mathematical models representing physical phenomena and applying modern computing methods and simulations to analyse them. The studies cover recent advances in the fields of nano mechanics and biomechanics, simulations of multiscale and multiphysics problems, developments in solid mechanics and finite element method, advancements in computational fluid dynamics and transport phenomena, and applications of computational mechanics and techniques in emerging areas. The volume will be of interest to researchers and academics from civil engineering, mechanical engineering, aerospace engineering, materials engineering/science, physics, mathematics and other disciplines.
Book Synopsis Trends in Nanoscale Mechanics by : Vasyl Harik
Download or read book Trends in Nanoscale Mechanics written by Vasyl Harik and published by Springer. This book was released on 2014-08-19 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains a collection of the state-of-the-art reviews written by the leading researchers in the areas of nanoscale mechanics, molecular dynamics, nanoscale modeling of nanocomposites and mechanics of carbon nanotubes. No other book provides reviews of recent discoveries such as a nanoscale analog of the Pauli’s principle, i.e., effect of the spatial exclusion of electrons or the SEE effect, a new Registry Matrix Analysis for the nanoscale interfacial sliding and new data on the effective viscosity of interfacial electrons in nanoscale stiction at the interfaces. This volume is also an exceptional resource on the well tested nanoscale modeling of carbon nanotubes and nanocomposites, new nanoscale effects, unique evaluations of the effective thickness of carbon nanotubes under different loads, new data on which size of carbon nanotubes is safer and many other topics. Extensive bibliography concerning all these topics is included along with the lucid short reviews. Numerous illustrations are provided for molecular dynamic simulations, fascinating nanoscale phenomena and remarkable new effects. It is of interest to a wide range of researchers and students.
Book Synopsis Mechanics of Carbon Nanotubes by : Vasyl Harik
Download or read book Mechanics of Carbon Nanotubes written by Vasyl Harik and published by Academic Press. This book was released on 2018-07-27 with total page 327 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mechanics of Carbon Nanotubes: Fundamentals, Modeling and Safety draws on the latest academic research and nanotechnology applications to provide a comprehensive guide on the most recent developments in the science of carbon nanotubes. The fundamentals of nanomechanics and mechanical behavior of carbon nanotubes are presented in initial chapters, followed by more advanced topics such as the classification of carbon nanotubes, carbon nanotubes in nanocomposites, multiwall carbon nanotubes, and recent trends.This book provides a system for the classification of carbon nanotubes into 20 classes, aiding correct selection for various applications, and includes the Atomic Registry Matrix Analysis for nanoscale interfaces, essential for design involving friction or sliding. Parametric maps are included to help readers pick the correct model for a particular CNT geometry, in addition to a thorough examination of the effective thickness paradox and safety issues related to CNTs, such as toxicity at high aspect ratio.Mechanics of Carbon Nanotubes is essential reading for anyone involved in research or engineering that includes carbon nanotubes, be they students or seasoned professionals in the field. It is particularly useful to those working with applications in the areas of microelectronics, robotics, aerospace, composites, or prosthetics. Provides a system for the classification of carbon nanotubes, aiding correct selection for various applications Includes the Matrix Registry Analysis for nanoscale interfaces that is essential for design involving friction or sliding Features parametric maps to help readers pick the right model for a particular CNT geometry (beam vs. shell vs. thin or thick shells, etc.) Presents a thorough examination of the safety issues related to CNTs, including toxicity at high aspect ratio
Book Synopsis Carbon Nanotubes as Nanodelivery Systems by : Melvin Choon Giap Lim
Download or read book Carbon Nanotubes as Nanodelivery Systems written by Melvin Choon Giap Lim and published by Springer Science & Business Media. This book was released on 2013-05-18 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book showcases the application of carbon nanotubes as nanodelivery systems for copper atoms, using molecular dynamics simulations as a means of investigation. The nanodelivery system of the carbon nanotube presents the possible usage of the carbon structure in many areas in the future. This book is comprehensive and informative, and serves as a guide for any reader who wishes to perform a molecular dynamics simulation of his own and to conduct an analytical study of a molecular system.
Book Synopsis Modeling and Simulation of Carbon Nanotubes Networks: Toward a Multiscale Approach by : Simone Colasanti
Download or read book Modeling and Simulation of Carbon Nanotubes Networks: Toward a Multiscale Approach written by Simone Colasanti and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
