Jinbo Bai is research director at CNRS and coordinator of the GDR Polynano phases I & II. His research focuses on the synthesis, development, processing, characterization and multi-scale modeling of multifunctional nano- and micro-composite materials.

• Foreword: Polymer Nanocomposites: Are There Scientific Questions with No Answers? xiJean-François GÉRARDChapter 1 Graphite and Graphene Nanoplatelets (GNP) Filled Polymer Matrix Nanocomposites 1Marc PONÇOT, Adrien LETOFFE, Stéphane CUYNET, Sébastien FONTANA and Lucie SPEYER1.1 General information on graphene 11.1.1 Definition and structure 11.1.2 Structures associated with graphene 21.1.3 Graphene properties 31.2 Graphene preparation methods 31.2.1 Graphite exfoliation 51.2.2 Graphite-derived compounds exfoliation 91.3 Methods of dispersion of carbon nanofillers in a polymer matrix 141.3.1 In situ polymerization 141.3.2 Intercalation in solution 161.3.3 Melt mixing 181.3.4 Comparison of development methods 221.4 Influence of the nanofiller on the properties of the nanocomposite 231.4.1 Analysis of the material morphology 231.4.2 Influence of nanofillers on semi-crystalline microstructures 241.4.3 Influence of nanofillers on mechanical properties 261.4.4 Influence of nanofillers on electrical properties 291.4.5 Evolution of the thermal resistance 341.5 References 36Chapter 2 Morphological Characterization Techniques for Nano-Reinforced Polymers 47Adoté Sitou BLIVI, Benhui FAN, Djimédo KONDO and Fahmi BEDOUI2.1 Transmission electron microscopy 472.1.1 Sample preparation and acquisition of the TEM images 482.1.2 Size, dispersion and interparticle distance 492.2 X-ray diffraction 552.2.1 SAXS 562.2.2 WAXS 622.3 Conclusion 672.4 References 68Chapter 3 Size Effects on Physical and Mechanical Properties of Nano-Reinforced Polymers 71Fahmi BEDOUI, Adoté Sitou BLIVI, Benhui FAN and Djimédo KONDO3.1 Size effect on the glass transition temperature 713.1.1 Differential scanning calorimetry 713.1.2 Dynamic mechanical analysis 733.1.3 Wide-angle temperature synchrotron X-ray diffraction (WAXS) 743.2 Thermal stability 823.3 Effect of size on mechanical properties 833.3.1 Quasi-static tests: elastic properties 833.3.2 Dynamic tests: viscoelastic properties 883.4 Conclusion 903.5 References 91Chapter 4 Effects of the Size and Nature of Fillers on the Thermal and Mechanical Properties of PEEK Matrix Composites 93Marie DOUMENG, Karl DELBÉ, Florentin BERTHET, Olivier MARSAN, Jean DENAPE and France CHABERT4.1 Introduction 934.2 Materials and methods 964.2.1 Polymer 964.2.2 Reinforcements 974.2.3 Nano- and microcomposites preparation 1014.2.4 Characterization 1024.3 Results 1044.3.1 Characterization of the powders 1044.3.2 Filler distribution in the matrix 1074.3.3 Effect of size on thermal transitions 1114.3.4 Effect of size on the degree of crystallinity 1124.3.5 Thermal properties 1164.3.6 Effect of size on mechanical properties 1194.4 Conclusion 1334.5 References 135Chapter 5 Study of Interface and Interphase between Epoxy Matrix and Carbon-based Nanofillers in Nanocomposites 141Yu LIU, Delong HE, Ann-Lenaig HAMON and Jinbo BAI5.1 Introduction 1415.1.1 Surface modification of the fillers 1425.1.2 Experimental techniques 1435.2 Structural analysis of the interface with electron energy-loss spectroscopy 1435.2.1 Analysis technique 1435.2.2 Results 1465.2.3 Interpretation 1485.3 In situ tensile test using scanning electron microscopy 1495.3.1 Experimental set-up 1515.3.2 Results 1515.3.3 Interpretation 1535.3.4 Perspectives 1545.4 Conclusion 1555.5 Acknowledgments 1555.6 References 155Chapter 6 Multiscale Modeling of Graphene-polymer Nanocomposites with Tunneling Effect 157Xiaoxin LU, Julien YVONNET, Fabrice DETREZ and Jinbo BAI6.1 Introduction 1576.2 Modeling of effective electric nonlinear behavior in graphene–polymer nanocomposites 1596.2.1 Tunneling effect 1596.2.2 Nonlinear electrical conduction model at the RVE scale 1616.3 Numerical simulations of effective electric conductivity 1646.3.1 Effect of barrier height on the percolation threshold 1646.3.2 Effect of graphene aspect ratio on the percolation threshold 1656.3.3 Effect of alignment of graphene sheets 1656.3.4 Comparison between numerical and experimental results 1676.4 Two-scale approaches 1696.4.1 Construction of the surrogate model based on ANN: strategy 1706.4.2 Structural application 1716.5 Electromechanical coupling 1736.5.1 Mechanical modeling 1736.5.2 Constitutive laws 1756.5.3 Weak form of mechanical problem 1756.5.4 Identification of cohesive zone model 1766.5.5 Evolution of electrical properties under stretching of the composite 1786.6 Conclusion 1806.7 References 181Chapter 7 Computational Modeling of Carbon Nanofiller Networks in Polymer Composites 187Angel MORA7.1 Introduction 1877.2 Modeling and simulation of CNT/polymer nanocomposites 1907.2.1 Geometrical modeling of CNT/polymer nanocomposites 1907.2.2 Analysis of electrical conductivity 1917.3 Improving electrical conductivity of polymers loaded with CNTs 1937.3.1 Introducing a definition of loading efficiency 1947.3.2 Efficiency and electrical conductivity of polymers loaded with CNTs 1967.3.3 Influence of junction resistance 1967.4 Improving electrical conductivity of polymers loaded with hybrid particles 1987.4.1 Hybrid particles 1987.4.2 Efficiency and electrical conductivity of CNT-GNP hybrid-particle networks 2007.4.3 Optimization of the hybrid-particle geometry 2017.5 Conclusions 2057.6 References 205Chapter 8 Electrostrictive Polymer Nanocomposites: Fundamental and Applications 213Shenghong YAO and Jinkai YUAN8.1 Introduction 2138.2 Electrostriction relations 2158.3 Determination of the electrostriction coefficient 2178.4 The route to high electrostriction materials 2228.5 Applications of electrostrictive materials 2268.5.1 Actuators 2268.5.2 Capacitive sensors 2268.5.3 Mechanical energy harvesting 2288.6 Conclusions and perspectives 2348.7 References 234List of Authors 241Index 245

Jinbo Bai is research director at CNRS and coordinator of the GDR Polynano phases I & II. His research focuses on the synthesis, development, processing, characterization and multi-scale modeling of multifunctional nano- and micro-composite materials.

• Foreword: Polymer Nanocomposites: Are There Scientific Questions with No Answers? xiJean-François GÉRARDChapter 1 Graphite and Graphene Nanoplatelets (GNP) Filled Polymer Matrix Nanocomposites 1Marc PONÇOT, Adrien LETOFFE, Stéphane CUYNET, Sébastien FONTANA and Lucie SPEYER1.1 General information on graphene 11.1.1 Definition and structure 11.1.2 Structures associated with graphene 21.1.3 Graphene properties 31.2 Graphene preparation methods 31.2.1 Graphite exfoliation 51.2.2 Graphite-derived compounds exfoliation 91.3 Methods of dispersion of carbon nanofillers in a polymer matrix 141.3.1 In situ polymerization 141.3.2 Intercalation in solution 161.3.3 Melt mixing 181.3.4 Comparison of development methods 221.4 Influence of the nanofiller on the properties of the nanocomposite 231.4.1 Analysis of the material morphology 231.4.2 Influence of nanofillers on semi-crystalline microstructures 241.4.3 Influence of nanofillers on mechanical properties 261.4.4 Influence of nanofillers on electrical properties 291.4.5 Evolution of the thermal resistance 341.5 References 36Chapter 2 Morphological Characterization Techniques for Nano-Reinforced Polymers 47Adoté Sitou BLIVI, Benhui FAN, Djimédo KONDO and Fahmi BEDOUI2.1 Transmission electron microscopy 472.1.1 Sample preparation and acquisition of the TEM images 482.1.2 Size, dispersion and interparticle distance 492.2 X-ray diffraction 552.2.1 SAXS 562.2.2 WAXS 622.3 Conclusion 672.4 References 68Chapter 3 Size Effects on Physical and Mechanical Properties of Nano-Reinforced Polymers 71Fahmi BEDOUI, Adoté Sitou BLIVI, Benhui FAN and Djimédo KONDO3.1 Size effect on the glass transition temperature 713.1.1 Differential scanning calorimetry 713.1.2 Dynamic mechanical analysis 733.1.3 Wide-angle temperature synchrotron X-ray diffraction (WAXS) 743.2 Thermal stability 823.3 Effect of size on mechanical properties 833.3.1 Quasi-static tests: elastic properties 833.3.2 Dynamic tests: viscoelastic properties 883.4 Conclusion 903.5 References 91Chapter 4 Effects of the Size and Nature of Fillers on the Thermal and Mechanical Properties of PEEK Matrix Composites 93Marie DOUMENG, Karl DELBÉ, Florentin BERTHET, Olivier MARSAN, Jean DENAPE and France CHABERT4.1 Introduction 934.2 Materials and methods 964.2.1 Polymer 964.2.2 Reinforcements 974.2.3 Nano- and microcomposites preparation 1014.2.4 Characterization 1024.3 Results 1044.3.1 Characterization of the powders 1044.3.2 Filler distribution in the matrix 1074.3.3 Effect of size on thermal transitions 1114.3.4 Effect of size on the degree of crystallinity 1124.3.5 Thermal properties 1164.3.6 Effect of size on mechanical properties 1194.4 Conclusion 1334.5 References 135Chapter 5 Study of Interface and Interphase between Epoxy Matrix and Carbon-based Nanofillers in Nanocomposites 141Yu LIU, Delong HE, Ann-Lenaig HAMON and Jinbo BAI5.1 Introduction 1415.1.1 Surface modification of the fillers 1425.1.2 Experimental techniques 1435.2 Structural analysis of the interface with electron energy-loss spectroscopy 1435.2.1 Analysis technique 1435.2.2 Results 1465.2.3 Interpretation 1485.3 In situ tensile test using scanning electron microscopy 1495.3.1 Experimental set-up 1515.3.2 Results 1515.3.3 Interpretation 1535.3.4 Perspectives 1545.4 Conclusion 1555.5 Acknowledgments 1555.6 References 155Chapter 6 Multiscale Modeling of Graphene-polymer Nanocomposites with Tunneling Effect 157Xiaoxin LU, Julien YVONNET, Fabrice DETREZ and Jinbo BAI6.1 Introduction 1576.2 Modeling of effective electric nonlinear behavior in graphene–polymer nanocomposites 1596.2.1 Tunneling effect 1596.2.2 Nonlinear electrical conduction model at the RVE scale 1616.3 Numerical simulations of effective electric conductivity 1646.3.1 Effect of barrier height on the percolation threshold 1646.3.2 Effect of graphene aspect ratio on the percolation threshold 1656.3.3 Effect of alignment of graphene sheets 1656.3.4 Comparison between numerical and experimental results 1676.4 Two-scale approaches 1696.4.1 Construction of the surrogate model based on ANN: strategy 1706.4.2 Structural application 1716.5 Electromechanical coupling 1736.5.1 Mechanical modeling 1736.5.2 Constitutive laws 1756.5.3 Weak form of mechanical problem 1756.5.4 Identification of cohesive zone model 1766.5.5 Evolution of electrical properties under stretching of the composite 1786.6 Conclusion 1806.7 References 181Chapter 7 Computational Modeling of Carbon Nanofiller Networks in Polymer Composites 187Angel MORA7.1 Introduction 1877.2 Modeling and simulation of CNT/polymer nanocomposites 1907.2.1 Geometrical modeling of CNT/polymer nanocomposites 1907.2.2 Analysis of electrical conductivity 1917.3 Improving electrical conductivity of polymers loaded with CNTs 1937.3.1 Introducing a definition of loading efficiency 1947.3.2 Efficiency and electrical conductivity of polymers loaded with CNTs 1967.3.3 Influence of junction resistance 1967.4 Improving electrical conductivity of polymers loaded with hybrid particles 1987.4.1 Hybrid particles 1987.4.2 Efficiency and electrical conductivity of CNT-GNP hybrid-particle networks 2007.4.3 Optimization of the hybrid-particle geometry 2017.5 Conclusions 2057.6 References 205Chapter 8 Electrostrictive Polymer Nanocomposites: Fundamental and Applications 213Shenghong YAO and Jinkai YUAN8.1 Introduction 2138.2 Electrostriction relations 2158.3 Determination of the electrostriction coefficient 2178.4 The route to high electrostriction materials 2228.5 Applications of electrostrictive materials 2268.5.1 Actuators 2268.5.2 Capacitive sensors 2268.5.3 Mechanical energy harvesting 2288.6 Conclusions and perspectives 2348.7 References 234List of Authors 241Index 245

Jinbo Bai is research director at CNRS and coordinator of the GDR Polynano phases I & II. His research focuses on the synthesis, development, processing, characterization and multi-scale modeling of multifunctional nano- and micro-composite materials.

• Foreword: Polymer Nanocomposites: Are There Scientific Questions with No Answers? xiJean-François GÉRARDChapter 1 Graphite and Graphene Nanoplatelets (GNP) Filled Polymer Matrix Nanocomposites 1Marc PONÇOT, Adrien LETOFFE, Stéphane CUYNET, Sébastien FONTANA and Lucie SPEYER1.1 General information on graphene 11.1.1 Definition and structure 11.1.2 Structures associated with graphene 21.1.3 Graphene properties 31.2 Graphene preparation methods 31.2.1 Graphite exfoliation 51.2.2 Graphite-derived compounds exfoliation 91.3 Methods of dispersion of carbon nanofillers in a polymer matrix 141.3.1 In situ polymerization 141.3.2 Intercalation in solution 161.3.3 Melt mixing 181.3.4 Comparison of development methods 221.4 Influence of the nanofiller on the properties of the nanocomposite 231.4.1 Analysis of the material morphology 231.4.2 Influence of nanofillers on semi-crystalline microstructures 241.4.3 Influence of nanofillers on mechanical properties 261.4.4 Influence of nanofillers on electrical properties 291.4.5 Evolution of the thermal resistance 341.5 References 36Chapter 2 Morphological Characterization Techniques for Nano-Reinforced Polymers 47Adoté Sitou BLIVI, Benhui FAN, Djimédo KONDO and Fahmi BEDOUI2.1 Transmission electron microscopy 472.1.1 Sample preparation and acquisition of the TEM images 482.1.2 Size, dispersion and interparticle distance 492.2 X-ray diffraction 552.2.1 SAXS 562.2.2 WAXS 622.3 Conclusion 672.4 References 68Chapter 3 Size Effects on Physical and Mechanical Properties of Nano-Reinforced Polymers 71Fahmi BEDOUI, Adoté Sitou BLIVI, Benhui FAN and Djimédo KONDO3.1 Size effect on the glass transition temperature 713.1.1 Differential scanning calorimetry 713.1.2 Dynamic mechanical analysis 733.1.3 Wide-angle temperature synchrotron X-ray diffraction (WAXS) 743.2 Thermal stability 823.3 Effect of size on mechanical properties 833.3.1 Quasi-static tests: elastic properties 833.3.2 Dynamic tests: viscoelastic properties 883.4 Conclusion 903.5 References 91Chapter 4 Effects of the Size and Nature of Fillers on the Thermal and Mechanical Properties of PEEK Matrix Composites 93Marie DOUMENG, Karl DELBÉ, Florentin BERTHET, Olivier MARSAN, Jean DENAPE and France CHABERT4.1 Introduction 934.2 Materials and methods 964.2.1 Polymer 964.2.2 Reinforcements 974.2.3 Nano- and microcomposites preparation 1014.2.4 Characterization 1024.3 Results 1044.3.1 Characterization of the powders 1044.3.2 Filler distribution in the matrix 1074.3.3 Effect of size on thermal transitions 1114.3.4 Effect of size on the degree of crystallinity 1124.3.5 Thermal properties 1164.3.6 Effect of size on mechanical properties 1194.4 Conclusion 1334.5 References 135Chapter 5 Study of Interface and Interphase between Epoxy Matrix and Carbon-based Nanofillers in Nanocomposites 141Yu LIU, Delong HE, Ann-Lenaig HAMON and Jinbo BAI5.1 Introduction 1415.1.1 Surface modification of the fillers 1425.1.2 Experimental techniques 1435.2 Structural analysis of the interface with electron energy-loss spectroscopy 1435.2.1 Analysis technique 1435.2.2 Results 1465.2.3 Interpretation 1485.3 In situ tensile test using scanning electron microscopy 1495.3.1 Experimental set-up 1515.3.2 Results 1515.3.3 Interpretation 1535.3.4 Perspectives 1545.4 Conclusion 1555.5 Acknowledgments 1555.6 References 155Chapter 6 Multiscale Modeling of Graphene-polymer Nanocomposites with Tunneling Effect 157Xiaoxin LU, Julien YVONNET, Fabrice DETREZ and Jinbo BAI6.1 Introduction 1576.2 Modeling of effective electric nonlinear behavior in graphene–polymer nanocomposites 1596.2.1 Tunneling effect 1596.2.2 Nonlinear electrical conduction model at the RVE scale 1616.3 Numerical simulations of effective electric conductivity 1646.3.1 Effect of barrier height on the percolation threshold 1646.3.2 Effect of graphene aspect ratio on the percolation threshold 1656.3.3 Effect of alignment of graphene sheets 1656.3.4 Comparison between numerical and experimental results 1676.4 Two-scale approaches 1696.4.1 Construction of the surrogate model based on ANN: strategy 1706.4.2 Structural application 1716.5 Electromechanical coupling 1736.5.1 Mechanical modeling 1736.5.2 Constitutive laws 1756.5.3 Weak form of mechanical problem 1756.5.4 Identification of cohesive zone model 1766.5.5 Evolution of electrical properties under stretching of the composite 1786.6 Conclusion 1806.7 References 181Chapter 7 Computational Modeling of Carbon Nanofiller Networks in Polymer Composites 187Angel MORA7.1 Introduction 1877.2 Modeling and simulation of CNT/polymer nanocomposites 1907.2.1 Geometrical modeling of CNT/polymer nanocomposites 1907.2.2 Analysis of electrical conductivity 1917.3 Improving electrical conductivity of polymers loaded with CNTs 1937.3.1 Introducing a definition of loading efficiency 1947.3.2 Efficiency and electrical conductivity of polymers loaded with CNTs 1967.3.3 Influence of junction resistance 1967.4 Improving electrical conductivity of polymers loaded with hybrid particles 1987.4.1 Hybrid particles 1987.4.2 Efficiency and electrical conductivity of CNT-GNP hybrid-particle networks 2007.4.3 Optimization of the hybrid-particle geometry 2017.5 Conclusions 2057.6 References 205Chapter 8 Electrostrictive Polymer Nanocomposites: Fundamental and Applications 213Shenghong YAO and Jinkai YUAN8.1 Introduction 2138.2 Electrostriction relations 2158.3 Determination of the electrostriction coefficient 2178.4 The route to high electrostriction materials 2228.5 Applications of electrostrictive materials 2268.5.1 Actuators 2268.5.2 Capacitive sensors 2268.5.3 Mechanical energy harvesting 2288.6 Conclusions and perspectives 2348.7 References 234List of Authors 241Index 245