Multiscale Modelling of Polymer Properties


Book Description

Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends.* Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field




Multiscale Modeling and Simulation of Composite Materials and Structures


Book Description

This book presents the state-of-the-art in multiscale modeling and simulation techniques for composite materials and structures. It focuses on the structural and functional properties of engineering composites and the sustainable high performance of components and structures. The multiscale techniques can be also applied to nanocomposites which are important application areas in nanotechnology. There are few books available on this topic.




Multiscale Modelling of Damage and Fracture Processes in Composite Materials


Book Description

This book explores damage growth and fracture processes in cementitious, ceramic, polymer and metal matrix composites, integrating properties like stiffness and strength with observation at below macroscopic scale. Advances in multiscale modelling and analysis pertain directly to materials which either have a range of relevant microstructural scales, like metals, or do not have a well-defined microstructure, like cementitious or ceramic composites.




Multi-Scale Continuum Mechanics Modelling of Fibre-Reinforced Polymer Composites


Book Description

Multi-scale modelling of composites is a very relevant topic in composites science. This is illustrated by the numerous sessions in the recent European and International Conferences on Composite Materials, but also by the fast developments in multi-scale modelling software tools, developed by large industrial players such as Siemens (Virtual Material Characterization toolkit and MultiMechanics virtual testing software), MSC/e-Xstream (Digimat software), Simulia (micromechanics plug-in in Abaqus), HyperSizer (Multi-scale design of composites), Altair (Altair Multiscale Designer) This book is intended to be an ideal reference on the latest advances in multi-scale modelling of fibre-reinforced polymer composites, that is accessible for both (young) researchers and end users of modelling software. We target three main groups: This book aims at a complete introduction and overview of the state-of-the-art in multi-scale modelling of composites in three axes: • ranging from prediction of homogenized elastic properties to nonlinear material behaviour • ranging from geometrical models for random packing of unidirectional fibres over meso-scale geometries for textile composites to orientation tensors for short fibre composites • ranging from damage modelling of unidirectionally reinforced composites over textile composites to short fibre-reinforced composites The book covers the three most important scales in multi-scale modelling of composites: (i) micro-scale, (ii) meso-scale and (iii) macro-scale. The nano-scale and related atomistic and molecular modelling approaches are deliberately excluded, since the book wants to focus on continuum mechanics and there are already a lot of dedicated books about polymer nanocomposites. A strong focus is put on physics-based damage modelling, in the sense that the chapters devote attention to modelling the different damage mechanisms (matrix cracking, fibre/matrix debonding, delamination, fibre fracture,...) in such a way that the underlying physics of the initiation and growth of these damage modes is respected. The book also gives room to not only discuss the finite element based approaches for multi-scale modelling, but also much faster methods that are popular in industrial software, such as Mean Field Homogenization methods (based on Mori-Tanaka and Eshelby solutions) and variational methods (shear lag theory and more advanced theories). Since the book targets a wide audience, the focus is put on the most common numerical approaches that are used in multi-scale modelling. Very specialized numerical methods like peridynamics modelling, Material Point Method, eXtended Finite Element Method (XFEM), isogeometric analysis, SPH (Smoothed Particle Hydrodynamics),... are excluded. Outline of the book The book is divided in three large parts, well balanced with each a similar number of chapters:




Multiscale Modelling of Advanced Materials


Book Description

This volume covers the recent advances and research on the modeling and simulation of materials. The primary aim is to take the reader through the mathematical analysis to the theories of electricity and magnetism using multiscale modelling, covering a variety of numerical methods such as finite difference time domain (FDTD), finite element method (FEM) and method of moments. The book also introduces the multiscale Green’s function (GF) method for static and dynamic modelling and simulation results of modern advanced nanomaterials, particularly the two-dimensional (2D) materials. This book will be of interest to researchers and industry professionals working on advanced materials.




Multiscale Modeling Approaches for Composites


Book Description

Multiscale Modeling Approaches for Composites outlines the fundamentals of common multiscale modeling techniques and provides detailed guidance for putting them into practice. Various homogenization methods are presented in a simple, didactic manner, with an array of numerical examples. The book starts by covering the theoretical underpinnings of tensors and continuum mechanics concepts, then passes to actual micromechanic techniques for composite media and laminate plates. In the last chapters the book covers advanced topics in homogenization, including Green's tensor, Hashin-Shtrikman bounds, and special types of problems. All chapters feature comprehensive analytical and numerical examples (Python and ABAQUS scripts) to better illustrate the theory. - Bridges theory and practice, providing step-by-step instructions for implementing multiscale modeling approaches for composites and the theoretical concepts behind them - Covers boundary conditions, data-exchange between scales, the Hill-Mandel principle, average stress and strain theorems, and more - Discusses how to obtain composite properties using different boundary conditions - Includes access to a companion site, featuring the numerical examples, Python and ABACUS codes discussed in the book




Multiscale Biomechanical Modeling of the Brain


Book Description

Multiscale Biomechanical Modeling of the Brain discusses the constitutive modeling of the brain at various length scales (nanoscale, microscale, mesoscale, macroscale and structural scale). In each scale, the book describes the state-of-the- experimental and computational tools used to quantify critical deformational information at each length scale. Then, at the structural scale, several user-based constitutive material models are presented, along with real-world boundary value problems. Lastly, design and optimization concepts are presented for use in occupant-centric design frameworks. This book is useful for both academia and industry applications that cover basic science aspects or applied research in head and brain protection. The multiscale approach to this topic is unique, and not found in other books. It includes meticulously selected materials that aim to connect the mechanistic analysis of the brain tissue at size scales ranging from subcellular to organ levels. Presents concepts in a theoretical and thermodynamic framework for each length scale Teaches readers not only how to use an existing multiscale model for each brain but also how to develop a new multiscale model Takes an integrated experimental-computational approach and gives structured multiscale coverage of the problems




Theory and Modeling of Polymer Nanocomposites


Book Description

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.




Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage


Book Description

The aim of this book is to review innovative physical multiscale modeling methods which numerically simulate the structure and properties of electrochemical devices for energy storage and conversion. Written by world-class experts in the field, it revisits concepts, methodologies and approaches connecting ab initio with micro-, meso- and macro-scale modeling of components and cells. It also discusses the major scientific challenges of this field, such as that of lithium-ion batteries. This book demonstrates how fuel cells and batteries can be brought together to take advantage of well-established multi-scale physical modeling methodologies to advance research in this area. This book also highlights promising capabilities of such approaches for inexpensive virtual experimentation. In recent years, electrochemical systems such as polymer electrolyte membrane fuel cells, solid oxide fuel cells, water electrolyzers, lithium-ion batteries and supercapacitors have attracted much attention due to their potential for clean energy conversion and as storage devices. This has resulted in tremendous technological progress, such as the development of new electrolytes and new engineering designs of electrode structures. However, these technologies do not yet possess all the necessary characteristics, especially in terms of cost and durability, to compete within the most attractive markets. Physical multiscale modeling approaches bridge the gap between materials’ atomistic and structural properties and the macroscopic behavior of a device. They play a crucial role in optimizing the materials and operation in real-life conditions, thereby enabling enhanced cell performance and durability at a reduced cost. This book provides a valuable resource for researchers, engineers and students interested in physical modelling, numerical simulation, electrochemistry and theoretical chemistry.




New Polymer Materials


Book Description