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Modeling of Carbon Nanotubes, Graphene and their Composites
This book contains ten chapters, authored by world experts in the field of simulation at nano-scale and aims to demonstrate the potentialities of computational techniques to model the mechanical behavior of nano-materials, such as carbon nanotubes, graphene and their composites. A large part of the research currently being conducted in the fields of materials science and engineering mechanics is devoted to carbon nanotubes, graphene and their applications. In this process, computational modeling is a very attractive research tool due to the difficulties in manufacturing and testing of nano-materials. Both atomistic modeling methods, such as molecular mechanics and molecular dynamics, and continuum modeling methods are being intensively used. Continuum modeling offers significant advantages over atomistic modeling such as the reduced computational effort, the capability of modeling complex structures and bridging different analysis scales, thus enabling modeling from the nano- to the macro-scale. On the other hand, atomistic modeling is very accurate and can provide detailed information about the effects of material structure such as the interfaces and functionalization.
Table of contents :

Content:
Front Matter....Pages i-xii
Improved Mechanical Performance of CNTs and CNT Fibres in Nanocomposites Through Inter-Wall and Inter-Tube Coupling....Pages 1-56
A Review on the Application of Nonlocal Elastic Models in Modeling of Carbon Nanotubes and Graphenes....Pages 57-82
A Heterogeneous Discrete Approach of Interfacial Effects on Multi-Scale Modelling of Carbon Nanotube and Graphene Based Composites....Pages 83-109
Effect of Covalent Functionalization on Young¡¯s Modulus of a Single-Wall Carbon Nanotube....Pages 111-134
Multiscale Modeling of Multifunctional Fuzzy Fibers Based on Multi-Walled Carbon Nanotubes....Pages 135-176
Geometry¨CProperty Relation in Corrugated Nanocarbon Cylinders....Pages 177-200
Prediction of Mechanical Properties of CNT Based Composites Using Multi-Scale Modeling and Stochastic Analysis....Pages 201-238
Molecular Dynamics Simulation and Continuum Shell Model for Buckling Analysis of Carbon Nanotubes....Pages 239-273
Influence of Bond Kinematics on the Rupture of Non-Chiral CNTs under Stretching¨CTwisting....Pages 275-302
Finite Element Modeling of the Tensile Behavior of Carbon Nanotubes, Graphene and Their Composites....Pages 303-329
Back Matter....Pages 331-3322014Ó¢ÎÄÐÂÖø-̼ÄÉÃ׹ܡ¢Ê¯Ä«Ï©¼°Æä¸´ºÏ²ÄÁϵÄÄ£Äâ
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