{"product_id":"advanced-computational-nanomechanics-9781119068938","title":"Advanced Computational Nanomechanics","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003eAdvanced Computational Nanomechanics is a state-of-the-art publication on computational nanomechanics and contains eleven chapters prepared by world experts in this field.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003e\u003cp\u003eList of Contributors xi\u003c\/p\u003e \u003cp\u003eSeries Preface xiii\u003c\/p\u003e \u003cp\u003ePreface xv\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 Thermal Conductivity of Graphene and Its Polymer Nanocomposites: A Review 1\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eYingyan Zhang, Yu Wang, Chien Ming Wang and Yuantong Gu\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e1.1 Introduction 1\u003c\/p\u003e \u003cp\u003e1.2 Graphene 1\u003c\/p\u003e \u003cp\u003e1.2.1 Introduction of Graphene 1\u003c\/p\u003e \u003cp\u003e1.2.2 Properties of Graphene 6\u003c\/p\u003e \u003cp\u003e1.2.3 Thermal Conductivity of Graphene 7\u003c\/p\u003e \u003cp\u003e1.3 Thermal Conductivity of Graphene–Polymer Nanocomposites 9\u003c\/p\u003e \u003cp\u003e1.3.1 Measurement of Thermal Conductivity of Nanocomposites 9\u003c\/p\u003e \u003cp\u003e1.3.2 Modelling of Thermal Conductivity of Nanocomposites 9\u003c\/p\u003e \u003cp\u003e1.3.3 Progress and Challenge for Graphene–Polymer Nanocomposites 14\u003c\/p\u003e \u003cp\u003e1.3.4 Interfacial Thermal Resistance 16\u003c\/p\u003e \u003cp\u003e1.3.5 Approaches for Reduction of Interfacial Thermal Resistance 19\u003c\/p\u003e \u003cp\u003e1.4 Concluding Remarks 22\u003c\/p\u003e \u003cp\u003eReferences 22\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 Mechanics of CNT Network Materials 29\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eMesut Kirca and Albert C. To\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e2.1 Introduction 29\u003c\/p\u003e \u003cp\u003e2.1.1 Types of CNT Network Materials 30\u003c\/p\u003e \u003cp\u003e2.1.2 Synthesis of CNT Network Materials 31\u003c\/p\u003e \u003cp\u003e2.1.3 Applications 35\u003c\/p\u003e \u003cp\u003e2.2 Experimental Studies on Mechanical Characterization of CNT Network Materials 39\u003c\/p\u003e \u003cp\u003e2.2.1 Non-covalent CNT Network Materials 40\u003c\/p\u003e \u003cp\u003e2.2.2 Covalently Bonded CNT Network Materials 45\u003c\/p\u003e \u003cp\u003e2.3 Theoretical Approaches Toward CNT Network Modeling 48\u003c\/p\u003e \u003cp\u003e2.3.1 Ordered CNT Networks 48\u003c\/p\u003e \u003cp\u003e2.3.2 Randomly Organized CNT Networks 50\u003c\/p\u003e \u003cp\u003e2.4 Molecular Dynamics Study of Heat-Welded CNT Network Materials 55\u003c\/p\u003e \u003cp\u003e2.4.1 A Stochastic Algorithm for Modeling Heat-Welded Random CNT Network 56\u003c\/p\u003e \u003cp\u003e2.4.2 Tensile Behavior of Heat-Welded CNT Networks 60\u003c\/p\u003e \u003cp\u003eReferences 65\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Mechanics of Helical Carbon Nanomaterials 71\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eHiroyuki Shima and Yoshiyuki Suda\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e3.1 Introduction 71\u003c\/p\u003e \u003cp\u003e3.1.1 Historical Background 71\u003c\/p\u003e \u003cp\u003e3.1.2 Classification: Helical “Tube” or “Fiber”? 73\u003c\/p\u003e \u003cp\u003e3.1.3 Fabrication and Characterization 74\u003c\/p\u003e \u003cp\u003e3.2 Theory of HN-Tubes 76\u003c\/p\u003e \u003cp\u003e3.2.1 Microscopic Model 76\u003c\/p\u003e \u003cp\u003e3.2.2 Elastic Elongation 79\u003c\/p\u003e \u003cp\u003e3.2.3 Giant Stretchability 80\u003c\/p\u003e \u003cp\u003e3.2.4 Thermal Transport 82\u003c\/p\u003e \u003cp\u003e3.3 Experiment of HN-Fibers 84\u003c\/p\u003e \u003cp\u003e3.3.1 Axial Elongation 84\u003c\/p\u003e \u003cp\u003e3.3.2 Axial Compression 87\u003c\/p\u003e \u003cp\u003e3.3.3 Resonant Vibration 89\u003c\/p\u003e \u003cp\u003e3.3.4 Fracture Measurement 92\u003c\/p\u003e \u003cp\u003e3.4 Perspective and Possible Applications 93\u003c\/p\u003e \u003cp\u003e3.4.1 Reinforcement Fiber for Composites 93\u003c\/p\u003e \u003cp\u003e3.4.2 Morphology Control in Synthesis 93\u003c\/p\u003e \u003cp\u003eReferences 94\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Computational Nanomechanics Investigation Techniques 99\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eGhasem Ghadyani and Moones Rahmandoust\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e4.1 Introduction 99\u003c\/p\u003e \u003cp\u003e4.2 Fundamentals of the Nanomechanics 100\u003c\/p\u003e \u003cp\u003e4.2.1 Molecular Mechanics 101\u003c\/p\u003e \u003cp\u003e4.2.2 Newtonian Mechanics 101\u003c\/p\u003e \u003cp\u003e4.2.3 Lagrangian Equations of Motion 102\u003c\/p\u003e \u003cp\u003e4.2.4 Hamilton Equations of a Γ-Space 104\u003c\/p\u003e \u003cp\u003e4.3 Molecular Dynamics Method 106\u003c\/p\u003e \u003cp\u003e4.3.1 Interatomic Potentials 106\u003c\/p\u003e \u003cp\u003e4.3.2 Link Between Molecular Dynamics and Quantum Mechanics 112\u003c\/p\u003e \u003cp\u003e4.3.3 Limitations of Molecular Dynamics Simulations 114\u003c\/p\u003e \u003cp\u003e4.4 Tight Binding Method 115\u003c\/p\u003e \u003cp\u003e4.5 Hartree–Fock and Related Methods 116\u003c\/p\u003e \u003cp\u003e4.6 Density Functional Theory 118\u003c\/p\u003e \u003cp\u003e4.7 Multiscale Simulation Methods 120\u003c\/p\u003e \u003cp\u003e4.8 Conclusion 120\u003c\/p\u003e \u003cp\u003eReferences 120\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Probabilistic Strength Theory of Carbon Nanotubes and Fibers 123\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eXi F. Xu and Irene J. Beyerlein\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e5.1 Introduction 123\u003c\/p\u003e \u003cp\u003e5.2 A Probabilistic Strength Theory of CNTs 124\u003c\/p\u003e \u003cp\u003e5.2.1 Asymptotic Strength Distribution of CNTs 124\u003c\/p\u003e \u003cp\u003e5.2.2 Nonasymptotic Strength Distribution of CNTs 127\u003c\/p\u003e \u003cp\u003e5.2.3 Incorporation of Physical and Virtual Testing Data 130\u003c\/p\u003e \u003cp\u003e5.3 Strength Upscaling from CNTs to CNT Fibers 135\u003c\/p\u003e \u003cp\u003e5.3.1 A Local Load Sharing Model 136\u003c\/p\u003e \u003cp\u003e5.3.2 Interpretation of CNT Bundle Tensile Testing 139\u003c\/p\u003e \u003cp\u003e5.3.3 Strength Upscaling Across CNT-Bundle-Fiber Scales 141\u003c\/p\u003e \u003cp\u003e5.4 Conclusion 145\u003c\/p\u003e \u003cp\u003eReferences 145\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Numerical Nanomechanics of Perfect and Defective Hetero-junction CNTs 147\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eAli Ghavamian, Moones Rahmandoust and Andreas Öchsner\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e6.1 Introduction 147\u003c\/p\u003e \u003cp\u003e6.1.1 Literature Review: Mechanical Properties of Homogeneous CNTs 147\u003c\/p\u003e \u003cp\u003e6.1.2 Literature Review: Mechanical Properties of Hetero-junction CNTs 150\u003c\/p\u003e \u003cp\u003e6.2 Theory and Simulation 152\u003c\/p\u003e \u003cp\u003e6.2.1 Atomic Geometry and Finite Element Simulation of Homogeneous CNTs 152\u003c\/p\u003e \u003cp\u003e6.2.2 Atomic Geometry and Finite Element Simulation of Hetero-junction CNTs 153\u003c\/p\u003e \u003cp\u003e6.2.3 Finite Element Simulation of Atomically Defective Hetero-junction CNTs 155\u003c\/p\u003e \u003cp\u003e6.3 Results and Discussion 156\u003c\/p\u003e \u003cp\u003e6.3.1 Linear Elastic Properties of Perfect Hetero-junction CNTs 156\u003c\/p\u003e \u003cp\u003e6.3.2 Linear Elastic Properties of Atomically Defective Hetero-junction CNTs 162\u003c\/p\u003e \u003cp\u003e6.4 Conclusion 164\u003c\/p\u003e \u003cp\u003eReferences 171\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 A Methodology for the Prediction of Fracture Properties in Polymer Nanocomposites 175\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eSamit Roy and Avinash Akepati\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e7.1 Introduction 175\u003c\/p\u003e \u003cp\u003e7.2 Literature Review 175\u003c\/p\u003e \u003cp\u003e7.3 Atomistic J-Integral Evaluation Methodology 176\u003c\/p\u003e \u003cp\u003e7.4 Atomistic J-Integral at Finite Temperature 181\u003c\/p\u003e \u003cp\u003e7.5 Cohesive Contour-based Approach for J-Integral 184\u003c\/p\u003e \u003cp\u003e7.6 Numerical Evaluation of Atomistic J-Integral 185\u003c\/p\u003e \u003cp\u003e7.7 Atomistic J-Integral Calculation for a Center-Cracked Nanographene Platelet 187\u003c\/p\u003e \u003cp\u003e7.8 Atomistic J-Integral Calculation for a Center-Cracked Nanographene Platelet at Finite Temperature (T = 300 K) 190\u003c\/p\u003e \u003cp\u003e7.9 Atomistic J-Integral Calculation for a Center-Cracked Nanographene Platelet Using ReaxFF 192\u003c\/p\u003e \u003cp\u003e7.10 Atomistic J-Integral Calculation for a Center-Cracked EPON 862 Model 194\u003c\/p\u003e \u003cp\u003e7.11 Conclusions and Future Work 197\u003c\/p\u003e \u003cp\u003eAcknowledgment 198\u003c\/p\u003e \u003cp\u003eReferences 199\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 Mechanical Characterization of 2D Nanomaterials and Composites 201\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eRuth E. Roman, Nicola M. Pugno and Steven W. Cranford\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e8.1 Discovering 2D in a 3D World 201\u003c\/p\u003e \u003cp\u003e8.2 2D Nanostructures 203\u003c\/p\u003e \u003cp\u003e8.2.1 Graphene 203\u003c\/p\u003e \u003cp\u003e8.2.2 Graphynes and Graphene Allotropes 204\u003c\/p\u003e \u003cp\u003e8.2.3 Silicene 205\u003c\/p\u003e \u003cp\u003e8.2.4 Boron Nitride 206\u003c\/p\u003e \u003cp\u003e8.2.5 Molybdenum Disulfide 207\u003c\/p\u003e \u003cp\u003e8.2.6 Germanene, Stanene, and Phosphorene 208\u003c\/p\u003e \u003cp\u003e8.3 Mechanical Assays 210\u003c\/p\u003e \u003cp\u003e8.3.1 Experimental 210\u003c\/p\u003e \u003cp\u003e8.3.2 Computational 211\u003c\/p\u003e \u003cp\u003e8.4 Mechanical Properties and Characterization 212\u003c\/p\u003e \u003cp\u003e8.4.1 Defining Stress 213\u003c\/p\u003e \u003cp\u003e8.4.2 Uniaxial Stress, Plane Stress, and Plane Strain 214\u003c\/p\u003e \u003cp\u003e8.4.3 Stiffness 216\u003c\/p\u003e \u003cp\u003e8.4.4 Effect of Bond Density 218\u003c\/p\u003e \u003cp\u003e8.4.5 Bending Rigidity 219\u003c\/p\u003e \u003cp\u003e8.4.6 Adhesion 222\u003c\/p\u003e \u003cp\u003e8.4.7 Self-Adhesion and Folding 225\u003c\/p\u003e \u003cp\u003e8.5 Failure 227\u003c\/p\u003e \u003cp\u003e8.5.1 Quantized Fracture Mechanics 228\u003c\/p\u003e \u003cp\u003e8.5.2 Nanoscale Weibull Statistics 231\u003c\/p\u003e \u003cp\u003e8.6 Multilayers and Composites 233\u003c\/p\u003e \u003cp\u003e8.7 Conclusion 236\u003c\/p\u003e \u003cp\u003eAcknowledgment 236\u003c\/p\u003e \u003cp\u003eReferences 237\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 The Effect of Chirality on the Mechanical Properties of Defective Carbon Nanotubes 243\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eKeka Talukdar\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e9.1 Introduction 243\u003c\/p\u003e \u003cp\u003e9.2 Carbon Nanotubes, Their Molecular Structure and Bonding 245\u003c\/p\u003e \u003cp\u003e9.2.1 Diameter and Chiral Angle 245\u003c\/p\u003e \u003cp\u003e9.2.2 Bonding Speciality in CNTs 246\u003c\/p\u003e \u003cp\u003e9.2.3 Defects in CNT Structure 246\u003c\/p\u003e \u003cp\u003e9.3 Methods and Modelling 247\u003c\/p\u003e \u003cp\u003e9.3.1 Simulation Method 247\u003c\/p\u003e \u003cp\u003e9.3.2 Berendsen Thermostat 248\u003c\/p\u003e \u003cp\u003e9.3.3 Second-Generation REBO Potential 249\u003c\/p\u003e \u003cp\u003e9.3.4 C–C Non-bonding Potential 251\u003c\/p\u003e \u003cp\u003e9.3.5 Method of Calculation 251\u003c\/p\u003e \u003cp\u003e9.4 Results and Discussions 251\u003c\/p\u003e \u003cp\u003e9.4.1 Results for SWCNTs 251\u003c\/p\u003e \u003cp\u003e9.4.2 Results for SWCNT Bundle and MWCNTs 255\u003c\/p\u003e \u003cp\u003e9.4.3 Chirality Dependence 260\u003c\/p\u003e \u003cp\u003e9.5 Conclusions 262\u003c\/p\u003e \u003cp\u003eReferences 263\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Mechanics of Thermal Transport in Mass-Disordered Nanostructures 265\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eGanesh Balasubramanian\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e10.1 Introduction 265\u003c\/p\u003e \u003cp\u003e10.2 Equilibrium Molecular Dynamics to Understand Vibrational Spectra 266\u003c\/p\u003e \u003cp\u003e10.3 Nonequilibrium Molecular Dynamics for Property Prediction 268\u003c\/p\u003e \u003cp\u003e10.4 Quantum Mechanical Calculations for Phonon Dispersion Features 270\u003c\/p\u003e \u003cp\u003e10.5 Mean-Field Approximation Model for Binary Mixtures 272\u003c\/p\u003e \u003cp\u003e10.6 Materials Informatics for Design of Mass-Disordered Structures 275\u003c\/p\u003e \u003cp\u003e10.7 Future Directions in Mass-Disordered Nanomaterials 278\u003c\/p\u003e \u003cp\u003eReferences 279\u003c\/p\u003e \u003cp\u003e\u003cb\u003e11 Thermal Boundary Resistance Effects in Carbon Nanotube Composites 281\u003c\/b\u003e\u003cbr\u003e\u003ci\u003eDimitrios V. Papavassiliou, Khoa Bui and Huong Nguyen\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e11.1 Introduction 281\u003c\/p\u003e \u003cp\u003e11.2 Background 282\u003c\/p\u003e \u003cp\u003e11.3 Techniques to Enhance the Thermal Conductivity of CNT Nanocomposites 285\u003c\/p\u003e \u003cp\u003e11.4 Dual-Walled CNTs and Composites with CNTs Encapsulated in Silica 286\u003c\/p\u003e \u003cp\u003e11.4.1 Simulation Setup 287\u003c\/p\u003e \u003cp\u003e11.4.2 Results 289\u003c\/p\u003e \u003cp\u003e11.5 Discussion and Conclusions 291\u003c\/p\u003e \u003cp\u003eAcknowledgment 291\u003c\/p\u003e \u003cp\u003eReferences 291\u003c\/p\u003e \u003cp\u003eIndex 295\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Title","offer_id":49528845861207,"sku":"9781119068938","price":97.16,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0817\/1739\/5799\/files\/9781119068938.jpg?v=1731873252","url":"https:\/\/bookcurl.com\/products\/advanced-computational-nanomechanics-9781119068938","provider":"Book Curl","version":"1.0","type":"link"}