Multiscale Simulation Methods for Nanomaterials

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Publisher : John Wiley & Sons
ISBN 13 : 047019166X
Total Pages : 300 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Multiscale Simulation Methods for Nanomaterials by : Richard B. Ross

Download or read book Multiscale Simulation Methods for Nanomaterials written by Richard B. Ross and published by John Wiley & Sons. This book was released on 2008-02-04 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.

Multiscale Materials Modeling for Nanomechanics

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Author :
Publisher : Springer
ISBN 13 : 3319334808
Total Pages : 547 pages
Book Rating : 4.3/5 (193 download)

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Book Synopsis Multiscale Materials Modeling for Nanomechanics by : Christopher R. Weinberger

Download or read book Multiscale Materials Modeling for Nanomechanics written by Christopher R. Weinberger and published by Springer. This book was released on 2016-08-30 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.

Multiscale Modelling of Advanced Materials

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Publisher : Springer Nature
ISBN 13 : 9811522677
Total Pages : 205 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Multiscale Modelling of Advanced Materials by : Runa Kumari

Download or read book Multiscale Modelling of Advanced Materials written by Runa Kumari and published by Springer Nature. This book was released on 2020-02-08 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Nano Mechanics and Materials

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Publisher : John Wiley & Sons
ISBN 13 : 0470035218
Total Pages : 334 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Nano Mechanics and Materials by : Wing Kam Liu

Download or read book Nano Mechanics and Materials written by Wing Kam Liu and published by John Wiley & Sons. This book was released on 2006-08-30 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanotechnology is a progressive research and development topic with large amounts of venture capital and government funding being invested worldwide. Nano mechanics, in particular, is the study and characterization of the mechanical behaviour of individual atoms, systems and structures in response to various types of forces and loading conditions. This text, written by respected researchers in the field, informs researchers and practitioners about the fundamental concepts in nano mechanics and materials, focusing on their modelling via multiple scale methods and techniques. The book systematically covers the theory behind multi-particle and nanoscale systems, introduces multiple scale methods, and finally looks at contemporary applications in nano-structured and bio-inspired materials.

Multiscale Modeling and Simulation of Composite Materials and Structures

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 0387363181
Total Pages : 634 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Multiscale Modeling and Simulation of Composite Materials and Structures by : Young Kwon

Download or read book Multiscale Modeling and Simulation of Composite Materials and Structures written by Young Kwon and published by Springer Science & Business Media. This book was released on 2007-12-04 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Modeling in Nanophotonics

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Author :
Publisher : CRC Press
ISBN 13 : 1351614053
Total Pages : 245 pages
Book Rating : 4.3/5 (516 download)

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Book Synopsis Multiscale Modeling in Nanophotonics by : Alexander Bagaturyants

Download or read book Multiscale Modeling in Nanophotonics written by Alexander Bagaturyants and published by CRC Press. This book was released on 2017-11-22 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The idea of theoretically predicting the useful properties of various materials using multiscale simulations has become popular in recent years. Of special interest are nanostructured, organic functional materials, which have a hierarchical structure and are considered materials of the future because of their flexibility and versatility. Their functional properties are inherited from the molecule that lies at the heart of the hierarchical structure. On the other hand, the properties of this functional molecule, in particular its absorption and emission spectra, strongly depend on its interactions with its molecular environment. Therefore, the multiscale simulations used to predict the properties of organic functional materials should be atomistic, that is, they should be based on classical and/or quantum methods that explicitly take into account the molecular structure and intermolecular interactions at the atomic level. This book, written by well-known specialists in theoretical chemistry, focuses on the basics of classical mechanics, quantum chemistry methods used for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategies for atomistic simulations of photonic materials). It has been edited by Professor Mikhail Alfimov, a renowned Russian scientist, a full member of the Russian Academy of Sciences, Russia, and the founder, first director, and now research supervisor of the Photochemistry Center of the Russian Academy of Science, Russia. Professor Alfimov’s main research interests are in the field of photochemistry and photophysics of molecular and supramolecular systems. The book is a great reference for advanced undergraduate- and graduate-level students of nanotechnology and molecular science and researchers in nano- and molecular science, nanotechnology, chemistry, and physical chemistry, especially those with an interest in functional materials.

Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 1441976019
Total Pages : 191 pages
Book Rating : 4.4/5 (419 download)

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Book Synopsis Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems by : Hyungjun Kim

Download or read book Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems written by Hyungjun Kim and published by Springer Science & Business Media. This book was released on 2010-11-18 with total page 191 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume develops multiscale and multiphysics simulation methods to understand nano- and bio-systems by overcoming the limitations of time- and length-scales. Here the key issue is to extend current computational simulation methods to be useful for providing microscopic understanding of complex experimental systems. This thesis discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite systems, dynamics of biomolecules such as lipids, and model lung system. Based on the cases discussed here, the author suggests various systematic strategies to overcome the limitations in time- and length-scales of the traditional monoscale approaches.

Multiscale Methods

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Publisher : Oxford University Press on Demand
ISBN 13 : 0199233853
Total Pages : 631 pages
Book Rating : 4.1/5 (992 download)

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Book Synopsis Multiscale Methods by : Jacob Fish

Download or read book Multiscale Methods written by Jacob Fish and published by Oxford University Press on Demand. This book was released on 2010 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.

Multiscale Simulations and Mechanics of Biological Materials

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 1118402944
Total Pages : 509 pages
Book Rating : 4.1/5 (184 download)

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Book Synopsis Multiscale Simulations and Mechanics of Biological Materials by : Shaofan Li

Download or read book Multiscale Simulations and Mechanics of Biological Materials written by Shaofan Li and published by John Wiley & Sons. This book was released on 2013-03-19 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Simulations and Mechanics of Biological Materials A compilation of recent developments in multiscale simulation and computational biomaterials written by leading specialists in the field Presenting the latest developments in multiscale mechanics and multiscale simulations, and offering a unique viewpoint on multiscale modelling of biological materials, this book outlines the latest developments in computational biological materials from atomistic and molecular scale simulation on DNA, proteins, and nano-particles, to meoscale soft matter modelling of cells, and to macroscale soft tissue and blood vessel, and bone simulations. Traditionally, computational biomaterials researchers come from biological chemistry and biomedical engineering, so this is probably the first edited book to present work from these talented computational mechanics researchers. The book has been written to honor Professor Wing Liu of Northwestern University, USA, who has made pioneering contributions in multiscale simulation and computational biomaterial in specific simulation of drag delivery at atomistic and molecular scale and computational cardiovascular fluid mechanics via immersed finite element method. Key features: Offers a unique interdisciplinary approach to multiscale biomaterial modelling aimed at both accessible introductory and advanced levels Presents a breadth of computational approaches for modelling biological materials across multiple length scales (molecular to whole-tissue scale), including solid and fluid based approaches A companion website for supplementary materials plus links to contributors’ websites (www.wiley.com/go/li/multiscale)

Computational Multiscale Modeling of Multiphase Nanosystems

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Author :
Publisher : CRC Press
ISBN 13 : 1351800264
Total Pages : 426 pages
Book Rating : 4.3/5 (518 download)

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Book Synopsis Computational Multiscale Modeling of Multiphase Nanosystems by : Alexander V. Vakhrushev

Download or read book Computational Multiscale Modeling of Multiphase Nanosystems written by Alexander V. Vakhrushev and published by CRC Press. This book was released on 2017-10-10 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

Multiscale Modeling of Particle Interactions

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Publisher : John Wiley & Sons
ISBN 13 : 047057982X
Total Pages : 398 pages
Book Rating : 4.4/5 (75 download)

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Book Synopsis Multiscale Modeling of Particle Interactions by : Michael King

Download or read book Multiscale Modeling of Particle Interactions written by Michael King and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.

Multiscale Modelling Methods for Applications in Materials Science

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Author :
Publisher : Forschungszentrum Jülich
ISBN 13 : 389336899X
Total Pages : 335 pages
Book Rating : 4.8/5 (933 download)

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Book Synopsis Multiscale Modelling Methods for Applications in Materials Science by : Ivan Kondov

Download or read book Multiscale Modelling Methods for Applications in Materials Science written by Ivan Kondov and published by Forschungszentrum Jülich. This book was released on 2013 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Multiscale Modeling in Nanophotonics

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Author :
Publisher : CRC Press
ISBN 13 : 1351614061
Total Pages : 274 pages
Book Rating : 4.3/5 (516 download)

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Book Synopsis Multiscale Modeling in Nanophotonics by : Alexander Bagaturyants

Download or read book Multiscale Modeling in Nanophotonics written by Alexander Bagaturyants and published by CRC Press. This book was released on 2017-11-22 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: The idea of theoretically predicting the useful properties of various materials using multiscale simulations has become popular in recent years. Of special interest are nanostructured, organic functional materials, which have a hierarchical structure and are considered materials of the future because of their flexibility and versatility. Their functional properties are inherited from the molecule that lies at the heart of the hierarchical structure. On the other hand, the properties of this functional molecule, in particular its absorption and emission spectra, strongly depend on its interactions with its molecular environment. Therefore, the multiscale simulations used to predict the properties of organic functional materials should be atomistic, that is, they should be based on classical and/or quantum methods that explicitly take into account the molecular structure and intermolecular interactions at the atomic level. This book, written by well-known specialists in theoretical chemistry, focuses on the basics of classical mechanics, quantum chemistry methods used for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategies for atomistic simulations of photonic materials). It has been edited by Professor Mikhail Alfimov, a renowned Russian scientist, a full member of the Russian Academy of Sciences, Russia, and the founder, first director, and now research supervisor of the Photochemistry Center of the Russian Academy of Science, Russia. Professor Alfimov’s main research interests are in the field of photochemistry and photophysics of molecular and supramolecular systems. The book is a great reference for advanced undergraduate- and graduate-level students of nanotechnology and molecular science and researchers in nano- and molecular science, nanotechnology, chemistry, and physical chemistry, especially those with an interest in functional materials.

Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments

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Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 1839161787
Total Pages : 411 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments by : Dennis R. Salahub

Download or read book Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments written by Dennis R. Salahub and published by Royal Society of Chemistry. This book was released on 2021-10-01 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options.

Computational Methods in Large Scale Simulation

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Publisher : World Scientific
ISBN 13 : 9814480207
Total Pages : 396 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Computational Methods in Large Scale Simulation by : Khin-Yong Lam

Download or read book Computational Methods in Large Scale Simulation written by Khin-Yong Lam and published by World Scientific. This book was released on 2005-10-26 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume documents the research carried out by visiting scientists attached to the Institute for Mathematical Sciences (IMS) at the National University of Singapore and the Institute of High Performance Computing (IHPC) under the program “Advances and Mathematical Issues in Large Scale Simulation.” From 2002 to 2003, researchers from various countries gathered to initiate interesting and innovative work on various themes related to multiscale simulation and fast algorithms. Today, modeling and simulation are used extensively to solve complex problems and to reduce the use of experimentation during the design and analysis stage. It is important to know the various issues that have to be considered in the successful development of computational methodologies for such work. This volume is a compilation of the research by various visiting scientists in the area of modeling and multiscale simulation. Each article covers a major project and documents how computational methodology, mathematical modeling, high performance computing and simulation are combined in a multiscale scheme to solve a variety of complex problems. Some of these include the design, synthesis, processing, characterization and manufacture of nanomaterials and nanostructures, new algorithms for computational work, and grid computing. Through the included examples, readers can realize the vast potential of computational modeling and large scale simulation for the solution of problems in a variety of disciplines and applications. Contents:Methods of Multiscale Modeling in Mechanics (W A Curtin)Efficient and Accurate Boundary Methods for Computational Optics (C Hafner & J Smajic)Finite Element Modeling of Periodic Structures (Z Lou & J-M Jin)Factorization of Potential and Field Distributions without Utilizing the Addition Theorem (A-R Baghi-Wadji & E Li)Virtualization-Aware Application Framework for Hierarchical Multiscale Simulations on a Grid (A Nakano et al.)Molecular Dynamics Simulation and Local Quantities (T Ikeshoji)Recent Advances in Modeling and Simulation of High-Speed Interconnects (M Nakhla & R Achar)Multiscale Modeling of Degradation and Failure of Interconnect Lines Driven by Electromigration and Stress Gradients (R Atkinson & A M Cuitiño) Readership: Engineers, scientists and graduate students who need further insights into the applications and power of computational methodology for the solution of a wide array of problems. Keywords:Large Scale Simulation;High Performance Computing;Multiscale Simulation;Fast Algorithms;Computational MethodologyKey Features:Provides insight into the applications and power of computational methodology in solving a wide array of complex problems

Clay-Polymer Nanocomposites

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Author :
Publisher : Elsevier
ISBN 13 : 0323461611
Total Pages : 546 pages
Book Rating : 4.3/5 (234 download)

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Book Synopsis Clay-Polymer Nanocomposites by : Khouloud Jlassi

Download or read book Clay-Polymer Nanocomposites written by Khouloud Jlassi and published by Elsevier. This book was released on 2017-07-26 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay–Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, environment, and energy issues. This book covers many aspects of synthesis such as in- situ polymerization within the interlamellar spacing of the clays or by reaction of pristine or pre-modified clays with reactive polymers and prepolymers. Indeed, nanocomposites can be prepared at industrial scale by melt mixing. Regardless the synthesis method, much is said in this book about the importance of theclay pre-modification step, which is demonstrated to be effective, on many occasions, in obtaining exfoliated nanocomposites. Clay–Polymer Nanocomposites reports the background to numerous characterization methods including solid state NMR, neutron scattering, diffraction and vibrational techniques as well as surface analytical methods, namely XPS, inverse gas chromatography and nitrogen adsorption to probe surface composition, wetting and textural/structural properties. Although not described in dedicated chapters, numerous X-ray diffraction patterns of clay–polymer nanocomposites and reference materials are displayed to account for the effects of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting morphologies and properties of nanostructured polymer systems with industrial relevance. As far as applications are concerned, Clay–Polymer Nanocomposites examines structural composites such as clay–epoxy and clay–biopolymers, the use of clay–polymer nanocomposites as reactive nanocomposite fillers, catalytic clay-(conductive) polymers and similar nanocomposites for the uptake of hazardous compounds or for controlled drug release, antibacterial applications, energy storage, and more. The most comprehensive coverage of the state of the art in clay–polymer nanocomposites, from synthesis and design to opportunities and applications Covers the various methods of characterization of clay–polymer nanocomposites - including spectroscopy, thermal analyses, and X-ray diffraction Includes a discussion of a range of application areas, including biomedicine, energy storage, biofouling resistance, and more

Multiscale Modeling and Simulation Methods

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Author :
Publisher : ProQuest
ISBN 13 : 9780549268062
Total Pages : 352 pages
Book Rating : 4.2/5 (68 download)

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Book Synopsis Multiscale Modeling and Simulation Methods by : Zheming Zheng

Download or read book Multiscale Modeling and Simulation Methods written by Zheming Zheng and published by ProQuest. This book was released on 2007 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale modeling is playing an important role in the rapid advance of many areas of engineering and science, including nanotechnology, materials, cell and molecular biology, and geological and earth sciences. The efficient simulation of these problems can be quite challenging, due to the widely separated time and length scales which are often strongly coupled. It is important and necessary to develop simulation methods that can accurately and efficiently capture multiscale and multiphenomena features.