Chapter
1 Thermal Transport Theory
1.2 Near-Equilibrium Theory
1.2.2 Boltzmann Transport Equation
1.2.3 Green-Kubo Formalism Approach
1.2.4 Equilibrium Molecular Dynamics
1.3 Non-Equilibrium Theory
1.3.1 Non-Equilibrium Green's Function
NEGF for Ballistic Transport and Caroli Formula
1.3.2 Non-Equilibrium Molecular Dynamics
2 CVD Synthesis of Graphene
2.2 Growth of Graphene on Metal Substrate
2.2.1 Layer-Number Control
2.2.1.1 Monolayer Graphene
2.2.1.2.1 AB-Stacked Bilayer Graphene
2.2.1.2.2 Twisted Bilayer Graphene
2.2.2 Domain Size Control
2.2.3 Growth Rate Control
2.3 Direct Growth of Graphene on Target Substrates
2.3.1 Annealing and Segregation Growth
2.3.2 Metal-Assisted Growth
2.3.4 Direct Growth of 3D Graphene on Non-Metal Substrates
2.4 Mass Production of Graphene
3 Two-Dimensional Thermal Transport in Graphene
3.1 Thermal Transport in Graphene and Graphene Nanoribbons
3.2 Phonon and Thermal Properties of Twisted Bi-Layer Graphene
4 Synthesis, Thermal Properties and Application of Nanodiamond
4.2 Methods of Synthesis of Nanodiamond and the Types
4.2.1 Shock Wave Compression
4.2.2 Detonation of Carbon-Containing Explosives
4.2.3 Chemical Vapour Deposition
4.2.4 High-Energy Beam Radiations
4.2.5 Reduction of Carbides
4.2.6 High-Energy Ball Milling of Diamond Microcrystals
4.2.7 High-Temperature and High-Pressure Processing
4.3.2 Thermal Conductivity
4.3.3 Specific Heat Capacity
4.4.1 Electrochemical Electrode and Medicinal Materials
4.4.2 Composite Materials
4.4.3 Surface Acoustic Wave (SAW) Devices
4.4.4 Field Emission Device
4.4.5 Wear Resistance, Surface Grinding and Cutting Tools
4.4.6 Diamond Indenter and Diamond Anvil Cell (DAC)
5 Thermal Conduction Behavior of Graphene and Graphene-Polymer Composites
5.2 Effect of Extrinsic Parameters on Thermal Conduction Behavior
5.2.1 Effect of Sample Fabrication, Processing and Measuring Conditions
5.2.2 Effect of Graphene Sheet Size
5.2.3 Effect of Grain Size, Edges, Defects and Wrinkles
5.2.4 Effect of Graphene Sheet Orientation
5.2.5 Effect of Surface Functionalization
5.2.6 Effect of Novel Architectures
6 Carbon Fibers and Their Thermal Transporting Properties
6.2 Manufacture of Carbon Fibers
6.3 PAN-Based Carbon Fibers
6.3.3 Thermal Stabilization
6.3.4 Carbonization and Graphitization
6.4 Pitch-Based Carbon Fibers
6.5 Cellulose and Liginin-Based Carbon Fibers
6.7 Graphene and CNT-Based Carbon Fibers
6.7.1 Solution-Spinning Methods
6.7.2 Solid-Spinning Method
6.8 Thermal Conductivity of Carbon Fibers
6.9 Thermal Conductivity of Polymer/Carbon Fibers Composites
7 Thermal Conductivity of Diamond Nanothread
7.2 Different Diamond Nanothreads and the Synthesisation
7.2.1 The Diamond Nanothread Family
7.2.2 Experimental Synthesisation
7.3 Mechanical Properties
7.3.1 Excellent Mechanical Properties
7.3.2 Brittle-to-Ductile Transition
7.3.3 General Mechanical Properties
7.4.1 Superlattice Thermal Transport Characteristic
7.4.2 Length and Temperature Dependence
7.4.3 Comparisons with Carbyne Chain
7.5 Applications of Diamond Nanothread
7.6 Summary and Future Directions
8 Theoretical Studies on the Growth Mechanism of Chemical Vapor Deposition of Graphene on Metal Surface
8.2 Theoretical Methodology
8.2.1 Ab Initio Calculations
8.2.2 Classical Molecular Dynamic (MD) Simulation
8.2.3 Kinetic Monte Carlo (kMC) Simulation
8.2.4 The Phase Field Theory (PFT) Simulation
8.3 The Interaction Between Graphene and Metal Substrate
8.3.1 Infinite Graphene on Various Metal Surfaces
8.3.2 C Clusters on Various Metal Surfaces
8.4 Simulations of Initial Growth Stage
8.4.1 Decomposition of Precursors
8.4.2 Dominant Active Species
8.5 Simulation of Nucleation Stage
8.5.1 Classical Nucleation Theory
8.5.2 Carbon Clusters on the Terrace of Metal Surface
8.5.3 Carbon Clusters on the Step of Metal Surface
8.6 Dominant C Clusters in Graphene Growth on Ru and Rh Surfaces
8.7 Graphene Edge Termination and Thermally Stable Wulff Construction
8.7.1 Graphene Edge in Vacuum
8.7.2 Graphene Edge on Metal Surfaces
8.7.3 Equilibrium Wulff Constructions
8.8 Graphene Edge Nucleation and Kinetic Wulff Construction
9 The Application of Carbon Materials in Latent Heat Thermal Energy Storage (LHTES)
9.4 Material Selection Criteria
9.5 Main Problems and Their Solution
9.5.3 Polymeric Encapsulation
9.5.4 Impregnation of PCM Into the Porous Materials
9.5.5 Low Thermal Conductivity
9.7 Graphene-Enhanced PCMs
9.7.1 Graphene-PCM Interfaces
9.7.2 Role of Functional Groups
9.7.3 Effect of Graphene Thickness
9.7.4 Enhanced Heat Recovery
10 Molecular Dynamics as the Tool for Investigation of Carbon Nanostructures Properties
10.1 Theoretical Basis of Molecular Dynamics
10.2 The Development of Molecular Dynamics: Hybrid Method AIREBO + AMBER
10.4 The Examples of KVAZAR Application in Investigation of Biocarbon Nanosystems and Carbon Nanostructures
10.4.1 Simulation of Phospholipid Behavior in Corrugated Graphene
10.4.2 Simulation of Self-Assembly Process in Periodic Box by AIREBO Method
10.4.3 Simulation of Destruction Process under Stretching
10.4.4 Simulation of High-Density Lipoprotein Indentation
11 Linear and Nonlinear Lattice Dynamics in Graphite
11.2 Methodology of CB-UED
11.2.2 High Sensitivity for Mapping Lattice Deformation Dynamics by CB-UED
11.3 Experimental Studies
11.3.2 CB-UED Measurements
11.3.2.1 Dynamics in Kikuchi Lines
11.3.2.2 Fourier Analysis
11.3.2.3 Crosscheck Measurements
11.4 Results and Discussions
11.4.1 Lattice Plane Responses to Modulations
11.4.2 Linear Response: Acoustic Echoes
11.4.2.1 Longitudinal Wave Dynamics Along the c-Axis of Graphite Unit Cell
11.4.2.2 Linear Chain Model
11.4.3 Nonlinear Response: Breather
11.4.3.1 Fluence Dependence of Polarization of an In-Plane Shear Wave
11.4.3.2 A Breather Picture
12 Experimental Studies of Thermal Transport in Nanostructures
12.2 Experimental Techniques for Thermal Conductivity Measurement
12.2.1 Suspended Micro-Devices for Thermal Conductivity Measurement
12.2.1.1 Fabrication of Suspended Micro-Devices
12.2.1.1.1 Batch-Fabricated Suspended Micro-Devices
12.2.1.1.2 Individually Fabricated Suspended Micro-Devices
12.2.1.2 Measurement Methodology
12.2.2 Noncontact Optical and Joule Self-Heating Methods
12.2.3 3-Omega Technique for Thin Film Thermal Conductivity Measurements
12.2.3.1 The Cross-Plane Thermal Conductivity Measurement
12.2.3.2 In-Plane Thermal Conductivity Measurements
12.3 Thermal Conductivity of Nanocarbon Materials
12.3.1 Thermal Conductivity of Carbon Nanotubes
12.3.2 Contact Thermal Resistance Between Individual Carbon Nanotubes
12.3.3 In-Plane Thermal Conductivity of Graphene
12.3.4 Cross-Plane Thermal Conductivity of Graphite Thin Films
12.4 Thermal Properties of Silicon Nanostructures
12.5 Conclusions and Outlook
Thermal Transport in Carbon-Based Nanomaterials
( Micro and Nano Technologies )
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