Multiscale Modelling Of Polymer Properties

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Multiscale Modelling Of Polymer Properties

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Author : E. Perpète
language : en
Publisher: Elsevier
Release Date : 2006-11-18

Multiscale Modelling Of Polymer Properties written by E. Perpète and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-18 with Technology & Engineering categories.

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

Multi Scale Continuum Mechanics Modelling Of Fibre Reinforced Polymer Composites

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Author : Wim Van Paepegem
language : en
Publisher: Woodhead Publishing
Release Date : 2020-11-26

Multi Scale Continuum Mechanics Modelling Of Fibre Reinforced Polymer Composites written by Wim Van Paepegem and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-26 with Technology & Engineering categories.

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: Part I deals with all "ingredients" to start with multi-scale modelling, limited to elastic property prediction. This typically includes: (i) setting up your geometrical model at micro- or meso-scale (definition of Representative Volume Element (RVE) or Repeating Unit Cell (RUC)), (ii) definition of periodic boundary conditions, (iii) homogenization of the elastic properties, starting from the elastic properties of the constituents, (iv) importance of statistical representation of geometry and stochastic nature of fibre architecture. This should bring all readers at the same level of principles and terminology for multi-scale modelling. Advanced users could eventually skip this first part. Part II deals with nonlinear multi-scale modelling. We build further upon the ingredients from Part I, but now add all kinds of nonlinearities to the simulation at micro- or meso-scale (matrix cracking, delamination, fibre/matrix debonding, delamination, fibre failure, visco-elasto-plasticity-damage of the polymer matrix,.). Not only finite element based techniques are covered, but also much faster inclusion methods (Mori-Tanaka, Eshelby,.) and variational methods. Part III deals with the laminate scale or macro-scale, where all these multi-scale modelling tools are applied for macro-scale ply-based modelling and virtual testing of laminates (in static loading, but also sometimes for prediction of fatigue, post-impact strength,.). In all three parts, the main three types of fibre reinforcement are covered (unidirectionally reinforced composites, textile composites and short fibre composites). The chapters are written by leading authorities from academia, and each chapter gives a self-contained overview of a specific topic, covering the state-of-the-art and future research challenges.

Multiscale Modeling Of Structure Property Relationships In Polymers With Heterogenous Structure

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Author : Yiyang Li
language : en
Publisher:
Release Date : 2017

Multiscale Modeling Of Structure Property Relationships In Polymers With Heterogenous Structure written by Yiyang Li and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017 with Molecules categories.

The exceptional mechanical properties of polymers with heterogeneous structure, such as the high toughness of polyethylene and the excellent blast-protection capability of polyurea, are strongly related to their morphology and nanoscale structure. Different polymer microstructures, such as semicrystalline morphology and segregated nanophases, lead to coordinated molecular motions during deformation in order to preserve compatibility between the different material phases. To study molecular relaxation in polyethylene, a coarse-grained model of polyethylene was calibrated to match the local structural variable distributions sampled from supercooled atomistic melts. The coarse-grained model accurately reproduces structural properties, e.g., the local structure of both the amorphous and crystalline phases, and thermal properties, e.g., glass transition and melt temperatures, and dynamic properties: including the vastly different relaxation time scales of the amorphous and crystalline phases. A hybrid Monte Carlo routine was developed to generate realistic semicrystalline configurations of polyethylene. The generated systems accurately predict the activation energy of the alpha relaxation process within the crystalline phase. Furthermore, the models show that connectivity to long chain segments in the amorphous phase increases the energy barrier for chain slip within crystalline phase. This prediction can guide the development of tougher semicrystalline polymers by providing a fundamental understanding of how nanoscale morphology contributes to chain mobility. In a different study, the macroscopic shock response of polyurea, a phase segregated copolymer, was analyzed using density functional theory (DFT) molecular dynamics (MD) simulations and classical MD simulations. The two models predict the shock response consistently up to shock pressures of 15 GPa, beyond which the DFT-based simulations predict a softer response. From the DFT simulations, an analysis of bond scission was performed as a first step in developing a more fundamental understanding of how shock induced material transformations effect the shock response and pressure dependent strength of polyurea subjected to extreme shocks.

10th International Symposium On Process Systems Engineering

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Author : Rita Maria de Brito Alves
language : en
Publisher: Elsevier
Release Date : 2009

10th International Symposium On Process Systems Engineering written by Rita Maria de Brito Alves and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Science categories.

The 10th International Symposium on Process Systems Engineering, PSE'09, will be held in Salvador-Bahia, Brazil on August 16-20, 2009. The special focus of PSE 2009 is Sustainability, Energy and Engineering. PSE 2009 is the tenth in the triennial series of international symposia on process systems engineering initiated in 1982. The meeting is brings together the worldwide PSE community of researchers and practitioners who are involved in the creation and application of computing-based methodologies for planning, design, operation, control and maintenance of chemical and petrochemical process industries. PSE'09 will look at how the PSE methods and tools can support sustainable resource systems and emerging technologies in the areas of green engineering: environmentally conscious design of industrial processes. PSE methods and tools support: - sustainable resource systems - emerging technologies in the areas of green engineering - environmentally conscious design of industrial processes

Handbook Of Polymer Synthesis Characterization And Processing

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Author : Enrique Saldivar-Guerra
language : en
Publisher: John Wiley & Sons
Release Date : 2013-02-28

Handbook Of Polymer Synthesis Characterization And Processing written by Enrique Saldivar-Guerra and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-02-28 with Technology & Engineering categories.

Covering a broad range of polymer science topics, Handbook of Polymer Synthesis, Characterization, and Processing provides polymer industry professionals and researchers in polymer science and technology with a single, comprehensive handbook summarizing all aspects involved in the polymer production chain. The handbook focuses on industrially important polymers, analytical techniques, and formulation methods, with chapters covering step-growth, radical, and co-polymerization, crosslinking and grafting, reaction engineering, advanced technology applications, including conjugated, dendritic, and nanomaterial polymers and emulsions, and characterization methods, including spectroscopy, light scattering, and microscopy.

Multiscale Materials Modeling

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Author : Siegfried Schmauder
language : en
Publisher:
Release Date : 2016

Multiscale Materials Modeling written by Siegfried Schmauder and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with categories.

Modeling And Prediction Of Polymer Nanocomposite Properties

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Author : Vikas Mittal
language : en
Publisher: John Wiley & Sons
Release Date : 2012-12-07

Modeling And Prediction Of Polymer Nanocomposite Properties written by Vikas Mittal and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-07 with Technology & Engineering categories.

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.

Theoretical Foundations Of Multiscale Modelling

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Author : Michele Cascella
language : en
Publisher: Elsevier
Release Date : 2025-05-15

Theoretical Foundations Of Multiscale Modelling written by Michele Cascella and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-15 with Science categories.

Multiscale modelling approaches can provide valuable insight to researchers across a broad range of fields. At the same time, the interdisciplinary applicability of these approaches means that both new learners and experienced researchers may not have a clear understanding of the theoretical and computational fundamentals underpinning these methods. Theoretical Foundations of Multiscale Modelling aims to address this knowledge gap, providing a clear insight to the thermodynamical and statistical mechanical foundations of methods commonly employed, and highlighting the potential and limitations of each approach.Starting with an overview of the basics of statistical mechanics, the first chapters of the book illustrate the general theory of molecular modelling, the concepts and methods for the study of complex molecular systems, then progressing to cover key strategies employed to perform computational calculations and simulations. The second part of the book reviews how the most recent, cutting-edge tools of the trade are used in practice through a selection of case studies highlighting multiscale modelling, multiple resolution simulation methods, and machine-learning applications. This is also achieved by presenting case studies from recent scientific literature, highlighting the advantages of a multiscale treatment for the understanding of complex molecular phenomena.Drawing on the experience of its authors, Theoretical Foundations of Multiscale Modelling is an insightful guide for all those learning, applying, or interested in exploring multiscale modelling methods for their work. - Follows a pedogeological path, taking readers from the simplest to the most complex notions - Rigorously shows the connections between theory and modeling, providing a critical understanding of commonly used models and their level of applicability - Provides a rich list of case studies to demonstrate the application of theoretical principles in practice

Fundamentals Of Multiscale Modeling Of Structural Materials

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Author : Wenjie Xia
language : en
Publisher: Elsevier
Release Date : 2022-11-26

Fundamentals Of Multiscale Modeling Of Structural Materials written by Wenjie Xia and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-26 with Technology & Engineering categories.

Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and governing physical phenomena necessary to simulate and understand a wide-range of structural materials at multiple time and length scales. The book offers practical guidelines for modeling common structural materials with well-established techniques, outlining detailed modeling approaches for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, thin films, and more.Computational approaches based on artificial intelligence and machine learning methods as complementary tools to the physics-based multiscale techniques are discussed as are modeling techniques for additively manufactured structural materials. Special attention is paid to how these methods can be used to develop the next generation of sustainable, resilient and environmentally-friendly structural materials, with a specific emphasis on bridging the atomistic and continuum modeling scales for these materials. - Synthesizes the latest cutting-edge computational multiscale modeling techniques for an array of structural materials - Emphasizes the foundations of the field and offers practical guidelines for modeling material systems with well-established techniques - Covers methods for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, and more - Highlights underlying theory, emerging areas, future directions and various applications of the modeling methods covered - Discusses the integration of multiscale modeling and artificial intelligence

10th International Symposium On Process Systems Engineering Pse2009

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Author : Rita Maria de Brito Alves
language : en
Publisher: Elsevier
Release Date : 2009-08-05

10th International Symposium On Process Systems Engineering Pse2009 written by Rita Maria de Brito Alves and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-08-05 with Technology & Engineering categories.

This book contains the proceedings of the 10e of a series of international symposia on process systems engineering (PSE) initiated in 1982. The special focus of PSE09 is how PSE methods can support sustainable resource systems and emerging technologies in the areas of green engineering. * Contains fully searchable CD of all printed contributions * Focus on sustainable green engineering * 9 Plenary papers, 21 Keynote lectures by leading experts in the field