Structure and Multiscale Mechanics of Carbon Nanomaterials (eBook)

Preface 6
Contents 8
1 Single Carbon Fibres: Structure from X-ray Diffraction and Nanomechanical Properties 9
1.1. Introduction 9
1.2. X-ray diffraction from carbon fibres 10
1.2.1. Structural parameters from X-ray diffraction (XRD) 10
1.2.2. What can we learn from small-angle X-ray scattering (SAXS)? 15
1.2.3. What additionally can we get by using X-ray microbeams? 17
1.3. In-situ mechanical testing of single carbon fibres 20
1.3.1. Stiffness of carbon fibres 20
1.3.2. In-situ XRD during tensile testing of single carbon fibres 21
1.3.3. Compressive properties from in-situ X-ray diffraction 25
1.3.4. High-temperature in-situ creep 26
1.4. Conclusions 30
References 31
2 Carbon Fibre Composites: Deformation Micromechanics Analysed using Raman Spectroscopy 37
2.1. Introduction 37
2.2. Fibre Reinforcement – Theory 37
2.2.1. Composite micromechanics 37
2.2.2. Discontinuous Fibres 39
2.2.3. Elastic Stress Transfer 40
2.2.4. Interfacial shear stress 42
2.3. Fibre Reinforcement – Experiment 44
2.3.1. Raman Spectra of Carbon Fibres 44
2.3.2. Stress-induced Raman Band Shifts 46
2.3.3. Analysis of Micromechanics 49
2.3.4. Effect of Fibre Surface Treatment 51
2.3.5. Interfacial Shear Stress 55
2.4. Conclusions 56
References 57
3 Carbon Nanotubes and Nanotube-Based Composites: Deformation Micromechanics 59
3.1. Introduction 59
3.2. The Preparation, Structure and Properties of CNTs 59
3.2.1. Preparation 59
3.2.2. Structure 60
3.2.3. Properties 62
3.3. Raman spectroscopy of SWNTs 63
3.3.1. Radial Breathing Modes 63
3.3.2. G-band 66
3.3.3. D-band and 2D-band 67
3.4. Carbon Nanotube Composites 69
3.4.1. Bulk SWNT nanocomposites 70
3.4.2. SWNT nanocomposites fibres 72
3.4.3. Aramid/nanotube fibres 76
3.5. Conclusions 80
References 80
4 Graphene and Graphene-Based Nanocomposites 83
4.1. Introduction 83
4.2. Graphene 84
4.2.1. Preparation 84
4.2.2. Characterisation 86
4.2.3. Mechanical properties 88
4.3. Nanoplatelet Reinforcement – Theory 90
4.3.1. Micromechanics 91
4.3.2. Interfacial Shear Stress 94
4.4. Nanoplatelet Reinforcement – Experiment 95
4.4.1. Monolayer graphene 95
4.4.2. Few-layer Graphene 99
4.5. Conclusions 103
References 104
5 Carbon Nanotubes Under Pressure 107
5.1 Introduction 107
5.2 The Graphite Mode 108
5.2.1 The Graphite Mode Phonons in Graphite 108
5.2.2 What We Expect in Single-Wall Carbon Nanotubes 112
5.2.3 What We Find (Not What We Expect) 113
5.2.4 Double-Wall Carbon Nanotubes 124
5.3 The Radial Breathing Mode 125
5.3.1 Experimental Pressure Coefficients 125
5.3.2 Theoretical Pressure Coefficients 125
5.3.3 Interaction With The Environment 130
5.3.4 Resonance and Effects of Solvents 130
5.3.5 Double-Wall Carbon Nanotubes 131
5.4 The 2D-mode 132
5.5 Conclusion 133
References 136
6 Atomistic and continuum modelling of graphene and graphene-derived carbon nanostructures 143
6.1 Introduction 143
6.2 Monte Carlo Simulations and Molecular Dynamics 145
6.2.1 Molecular dynamics simulations 146
6.2.2 Monte Carlo simulations 147
6.2.3 Potentials for carbon 149
6.3 Continuum Mechanics 152
6.3.1 Space Frame Models 152
6.3.2 Shell Models 154
6.3.3 Further aspects 160
6.4 Applications 165
6.4.1 Graphene 166
6.4.2 Nanotubes 167
6.4.3 Fullerenes and Onions 170
6.4.4 Carbon Fibers 173
6.5 Conclusion 176
References 177
7. Continuum Modelling of Nanotubes: Collapse Under Pressure 188
7.1. Introduction 188
7.2. The Continuum Models 189
7.2.1. The Simple Elastic Ring 189
7.2.2. The Thick-Walled Elastic Tube 190
7.2.3 The Atomistic Refinement of the Elastic Ring 191
7.2.4 Continuum Structural Model 192
7.3. Comparison with Experiment and Simulation 193
7.3.1. Simulation using Molecular Dynamics and Ab Initio 193
7.3.2. Experiment 194
7.4. Conclusions 195
References 195
8 Collective Behaviour of Vertically Aligned Carbon Nanotubes: from a Single Tube towards Complex Networks 198
8.1. Definition 198
8.2. Introduction 198
8.3. Experimental Techniques for Studying VACNT Mechanics 205
8.4. Compression Response under Large Strain 206
8.5. Modelling of VACNT Deformation 211
8.6. Large Displacement Indentations in VACNTs 213
8.7. Recoverability from Large Strains 217
8.8. Carbide Derived Carbons (CDC) VACNTs 221
8.9. Viscoelasticity 224
8.10. Applications 226
8.11. Summary and Outlook 227
Acknowledgements 228
References 229