Mechanical behaviors of carbon nanotubes theoretical and numerical approaches
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...
| Main Authors: | , , |
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| Format: | eBook |
| Language: | English |
| Published: |
Amsterdam, Netherlands
Elsevier
2017
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| Series: | Micro & nano technologies series
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| Subjects: | |
| Online Access: | |
| Collection: | O'Reilly - Collection details see MPG.ReNa |
Table of Contents:
- Includes bibliographical references and index
- Front Cover; Mechanical Behaviors of Carbon Nanotubes; Copyright Page; Contents; Preface; 1 Introduction; 1.1 General; 1.2 Atomic Structure of CNTs; 1.3 General Development and Current Situation of CNTs in Nanoscience and Nanotechnology; 1.4 Fundamental Properties and General Behaviors of CNTs; 1.5 Theories for Mechanical Behaviors of CNTs; 1.5.1 Atomistic Simulations; 1.5.2 Continuum Models; 1.5.3 Hybrid Approaches; References; 2 Experimental Aspect; 2.1 Introduction; 2.2 Preparation Methods; 2.2.1 Arc Discharge and Laser Ablation; 2.2.2 Chemical Vapor Deposition; 2.2.3 CNTs Growth Mechanism
- 3.4.1 Buckling of SWCNTs and MWCNTs3.4.1.1 Single-walled carbon nanotubes; 3.4.1.2 Multiwalled carbon nanotubes; 3.4.2 Structural Stability of a Coaxial CNTs Inside a Boron-Nitride Nanotube; 3.4.2.1 Modeling method; 3.4.2.2 Structural parameters; 3.4.2.3 Binding energy; 3.4.2.4 Electronic structure and bonding model; 3.5 Buckling of CNTs Bundles; 3.5.1 CNT Bundles Under Axial Tension; 3.5.2 CNT Bundles Under Axial Compression; 3.5.3 Twisting Effects of CNTs Bundles; 3.5.3.1 Twisted CNT bundles under axial compression; 3.5.3.2 Twisted CNT bundles under axial tension; 3.6 Fracture of CNTs
- 3.7 Thermal Stability of CNTs3.7.1 Close-Capped Single-Walled CNTs; 3.7.2 Open-Ended Single-Walled CNTs; 3.7.3 Open-Ended Multiwalled CNTs; References; 4 Atomistic-Continuum Theory; 4.1 Introduction; 4.1.1 Overview of Mesh-Free Methods; 4.1.2 Advantages and Disadvantages of Mesh-Free Methods; 4.2 Cauchy-Born Rule; 4.3 Atomistic-Continuum Theory; 4.4 Structural and Elastic Properties of SWCNTs; 4.4.1 Transformation of SWCNTs; 4.4.2 Structural Parameters; 4.4.3 Elastic Properties; 4.4.4 Pressure-Radial Strain Curve; 4.5 Mesh-Free Computational Framework; 4.5.1 Moving least-squares approximation
- 2.2.4 CNT Quality2.3 Testing Technologies; 2.3.1 Raman Spectroscopy; 2.3.2 UV-vis-nIR Absorption Spectroscopy; 2.3.3 PL Spectroscopy; 2.3.4 Other Characterization Techniques; 2.4 Mechanical Properties of CNTs; 2.5 Application Prospect and Researching Significance; 2.5.1 Composite Materials; 2.5.2 Coatings and Films; 2.5.3 Microelectronics; 2.5.4 Energy Storage and Environment; 2.5.5 Biotechnology; References; 3 Classical Molecular Dynamics Simulations; 3.1 Introduction; 3.2 Computational Model; 3.3 Elastic Properties of CNTs; 3.3.1 Young's Modulus of Single-Walled CNTs With Impurities
- 3.3.1.1 Model of SWCNTs with impurities3.3.1.2 Effect of impurities on single-walled CNTs; 3.3.1.3 Analysis of the results; 3.3.2 Effects of Vacancy Defect Reconstruction on the Elastic Properties of CNTs; 3.3.2.1 Model and methods; 3.3.2.2 Vacancy defect reconstructions in single-walled CNTs; 3.3.2.3 Effect of single vacancy defect ratio on Young's modulus of single-walled CNTs; 3.3.3 Young's Moduli of Single-Walled CNTs With Grafts; 3.3.3.1 Model of SWCNTs with grafts; 3.3.3.2 Effect of amine grafts on SWCNTs; 3.3.3.3 Analysis of the results; 3.4 Structural Stability and Buckling of CNTs