This edited volume brings together the state of the art in polymer nanocomposite theory and modeling, creating a roadmap for scientists and engineers seeking to design new advanced materials. The book opens with a review of molecular and mesoscale models predicting equilibrium and non-equilibrium nanoscale structure of hybrid materials as a function of composition and, especially, filler types. Subsequent chapters cover the methods and analyses used for describing the dynamics of nanocomposites and their mechanical and physical properties. Dedicated chapters present best practices for predicting materials properties of practical interest, including thermal and electrical conductivity, optical properties, barrier properties, and flammability. Each chapter is written by leading academic and industrial scientists working in each respective sub-field. The overview of modeling methodology combined with detailed examples of property predictions for specific systems will make this book useful for academic and industrial practitioners alike.

The book series 'Polymer Nano-, Micro- and Macrocomposites' provides complete and comprehensive information on all important aspects of polymer composite research and development, including, but not limited to synthesis, filler modification, modeling, characterization as well as application and commercialization issues. Each book focuses on a particular topic and gives a balanced in-depth overview of the respective subfi eld of polymer composite science and its relation to industrial applications. With the books the readers obtain dedicated resources with information relevant to their research, thereby helping to save time and money. This book lays the theoretical foundations and emphasizes the close connection between theory and experiment to optimize models and real-life procedures for the various stages of polymer composite development. As such, it covers quantum-mechanical approaches to understand the chemical processes on an atomistic level, molecular mechanics simulations to predict the filler surface dynamics, finite element methods to investigate the macro-mechanical behavior, and thermodynamic models to assess the temperature stability. The whole is rounded off by a look at multiscale models that can simulate properties at various length and time scales in one go - and with predictive accuracy.

Rheology of Polymer Blends and Nanocomposites: Theory, Modelling and Applications focuses on rheology in polymer nanocomposites. It provides readers with a solid grounding in the fundamentals of rheology, with an emphasis on recent advancements. Chapters explore potential future applications for nanocomposites and polymer blends, giving readers a thorough understanding of the specific features derived from rheology as a tool for the study of polymer blends and nanocomposites. This book is ideal for industrial and academic researchers in the field of polymer blends and nanocomposites, but is also a great resource for anyone who wants to learn about the applications of rheology. Sets out the principles of rheology as it is applied to polymer blends and nanocomposites Demonstrates how rheological techniques are best applied to different classes of nanocomposites Assesses the opportunities and major challenges of rheological approaches to polymer blends and nanocomposites

Learn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps required for multiscale modeling of any material, and correlates the results between the experimental and theoretical work performed. Focused primarily on nanocomposites, the methods covered in the book are applicable to various other materials such as carbon nanotubes, polymers, metals, and ceramics. Throughout the book, readers are introduced to key topics of relevance to nanocomposite materials and structures—supported by journal articles that discuss recent developments in modeling techniques and in the prediction of mechanical and thermal properties. This timely, highly practical resource: Explains the molecular dynamics (MD) simulation procedure for nanofiber and nanoparticle reinforced polymer composites Compares results of experimental and theoretical results from mechanical models at different length scales Covers different types of fibers and matrix materials that constitute composite materials, including glass, boron, carbon, and Kevlar Reviews models that predict the stiffness of short-fiber composites, including the self-consistent model for finite-length fibers, bounding models, and the Halpin-Tsai equation Describes various molecular modeling methods such as Monte Carlo, Brownian dynamics, dissipative particle dynamics, and lattice Boltzmann methods Highlights the potential of nanocomposites for defense and space applications Perfect for materials scientists, materials engineers, polymer scientists, and mechanical engineers, Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites is also a must-have reference for computer simulation scientists seeking to improve their understanding of reinforced polymer nanocomposites.

The use of polymer composites in various engineering applications has become state of the art. This multi-author volume provides a useful summary of updated knowledge on polymer composites in general, practically integrating experimental studies, theoretical analyses and computational modeling at different scales, i. e. , from nano- to macroscale. Detailed consideration is given to four major areas: structure and properties of polymer nanocomposites, characterization and modeling, processing and application of macrocomposites, and mechanical performance of macrocomposites. The idea to organize this volume arose from a very impressive workshop - The First International Workshop on Polymers and Composites at IVW Kaiserslautern: Invited Humboldt-Fellows and Distinguished Scientists, which was held on May 22-24,2003 at the University of Kaiserslautern, Germany. The contributing authors were invited to incorporate updated knowledge and developments into their individual chapters within a year after the workshop, which finally led to these excellent contributions. The success of this workshop was mainly sponsored by the German Alexander von Humboldt Foundation through a Sofia Kovalevskaja Award Program, financed by the Federal Ministry for Education and Research within the "Investment in the Future Program" of the German Government. In 2001, the Humboldt Foundation launched this new award program in order to offer outstanding young researchers throughout the world an opportunity to establish their own work-groups and to develop innovative research concepts virtually in Germany. One of the editors, Z.

Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.

Rheology and Processing of Polymer Nanocomposites examines the current state of the art and new challenges in the characterization of nanofiller/polymer interactions, nanofiller dispersion, distribution, filler-filler interactions and interfaces in polymer nanocomposites. A one-stop reference resource for important research accomplishments in this area, it benefits academics, researchers, scientists, and engineers in the field of polymer nanocomposites in their daily work.