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.

Autorentext

Konstantinos I. Tserpes is a Mechanical Engineer with a Ph.D. in Strength Prediction of Composite Materials. Currently, he is a Lecturer of Strength of Materials at the Department of Mechanical Engineering & Aeronautics, University of Patras, Greece. His research interests are in the areas of Strength of Composite Materials, Strength of Bonded and Bolted Joints, Mechanical Behavior of Carbon Nanotubes, Graphene and Nano-Reinforced Composites, Multi-scale Analysis of Materials and Structural Parts, Development of Methodologies for Relating Data from Non-destructive Testing with Numerical Strength Prediction Models as well as Strength Prediction of Corroded Aluminum Parts. He has published 1 chapter in a book, more than 30 papers in journals and more than 40 papers in Conference proceedings. He has 14 years of research experience in the area of aeronautical structures gathered through participation in national and international research projects.

Nuno Silvestre is Associate Professor at the Department of Mechanical Engineering of IST University of Lisbon, Portugal. He holds a PhD degree in Civil Engineering and has more than 20 years of experience in teaching, researching and consulting. His research interests include Nanomechanics, Simulation at Nanoscale, Behaviour of Thin-walled Structures, Nonlinear Solid Mechanics and Numerical Analysis of Structures, Structural Stability and Dynamics, and Design of Steel and FRP Composite Structures. He has more than 70 journal publications in peer reviewed journals and about 200 communications in international conferences. Professor Silvestre participated in several funded R&D projects, supervised several PhD and MSc students and received many awards from international and national institutions in recognition for his scientific achievements. He is also an esteemed member of several scientific and management committees, member of 7 editorial boards of international journals, and also areferee to more than 30 journals.

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Zusammenfassung
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.

Inhalt
Preface.- 1 Improved mechanical performance of CNTs and CNT fibres in nanocomposites through inter-wall and inter-tube coupling.- 2 A Review on the Application of Nonlocal Elastic Models in Modeling of Carbon Nanotubes and Graphenes.- 3 A heterogeneous discrete approach of interfacial effects on multi-scale modelling of carbon nanotube and graphene based composites.- 4 Effect of Covalent Functionalization on Young's Modulus of a Single-Wall Carbon Nanotube.- 5 Multiscale Modeling of Multifunctional Fuzzy Fibers based on Multi-Walled Carbon Nanotubes.- 6 Geometry-property relation in corrugated nanocarbon cylinders.- 7 Prediction of Mechanical Properties of CNT Based Composites Using Multi-scale Modeling and Stochastic Analysis.- 8 Molecular Dynamics Simulation and Continuum Shell Model for Buckling Analysis of Carbon Nanotubes.- 9 Influence of Bond Kinematics on the Rupture of Non-Chiral CNTs under Stretching-Twisting.- 10 Finite Element Modeling of the Tensile Behavior of Carbon Nanotubes, Graphene and Their Composites.