An Introduction To Molecular Dynamics Simulation Of Polymer Composites
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An Introduction To Molecular Dynamics Simulation Of Polymer Composites
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Author : Sumit Sharma
language : en
Publisher:
Release Date : 2020-02-14
An Introduction To Molecular Dynamics Simulation Of Polymer Composites written by Sumit Sharma and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-14 with Technology & Engineering categories.
"This book will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. In this book, Materials Studio software developed by Accelrys, a software company headquartered in the United States, has been used for performing the simulations and analysis. The source codes written in the book can be used by any one for modeling. The book starts with an introduction to molecular dynamics. Then various molecular dynamics methods will be discussed in detail. As the book progresses, various case studies related to modeling of composites at nano level will be discussed. The properties predicted are mechanical, thermal, optical and electrical. The concept of perl scripting has also been discussed in detail. Lastly the applications of molecular dynamics in various fields of engineering and technology will be discussed. The nanocomposite materials discussed in this book include polymer-matrix composites. The reinforcements used are carbon nanotubes, graphene, nanoparticles and nanofibers"--
An Introduction To Molecular Dynamics Simulation Of Polymer Composites
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Author : Sumit Sharma
language : en
Publisher: Nova Science Publishers
Release Date : 2020-03-03
An Introduction To Molecular Dynamics Simulation Of Polymer Composites written by Sumit Sharma and has been published by Nova Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-03 with Molecular dynamics categories.
"This book will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. In this book, Materials Studio software developed by Accelrys, a software company headquartered in the United States, has been used for performing the simulations and analysis. The source codes written in the book can be used by any one for modeling. The book starts with an introduction to molecular dynamics. Then various molecular dynamics methods will be discussed in detail. As the book progresses, various case studies related to modeling of composites at nano level will be discussed. The properties predicted are mechanical, thermal, optical and electrical. The concept of perl scripting has also been discussed in detail. Lastly the applications of molecular dynamics in various fields of engineering and technology will be discussed. The nanocomposite materials discussed in this book include polymer-matrix composites. The reinforcements used are carbon nanotubes, graphene, nanoparticles and nanofibers"--
Molecular Dynamic Modeling And Simulation For Polymers
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Author : Anthony F. Harrell
language : en
Publisher:
Release Date : 2003-09
Molecular Dynamic Modeling And Simulation For Polymers written by Anthony F. Harrell and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-09 with Molecular dynamics categories.
Polymers have been widely used in various engineering applications. For more than a quarter century, the materials have been utilized intensively for the binding materials for composites. The material properties of the binding materials called matrix materials play an important role for the composite material behaviors, As a result, the objective of this study was to understand the mechanical properties of polymers. In particular, the goal was to develop insights as to how a molecular level structure is connected to the bulk properties of materials assuming homogeneity. To this end, molecular dynamics was used to model and simulate the polymeric behaviors. Polymeric chains were modeled using the bead and spring model along with interacting potentials. The study examined the effects of different sizes, densities, and numbers of molecules per chain on the shear moduli of the polymers. Furthermore, some preliminary study was also conducted for metallic particle reinforced polymer composites.
Mechanics Of Particle And Fiber Reinforced Polymer Nanocomposites
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Author : Sumit Sharma
language : en
Publisher: John Wiley & Sons
Release Date : 2021-03-03
Mechanics Of Particle And Fiber Reinforced Polymer Nanocomposites written by Sumit Sharma 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 2021-03-03 with Technology & Engineering categories.
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.
Monte Carlo And Molecular Dynamics Simulations In Polymer Science
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Author : Kurt Binder
language : en
Publisher: Oxford University Press
Release Date : 1995-08-03
Monte Carlo And Molecular Dynamics Simulations In Polymer Science written by Kurt Binder and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-08-03 with Science categories.
Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.
Simulation Methods For Polymers
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Author : Michael Kotelyanskii
language : en
Publisher: CRC Press
Release Date : 2004-03-01
Simulation Methods For Polymers written by Michael Kotelyanskii and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-03-01 with Technology & Engineering categories.
Modeling And Simulation In Polymers
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Author : Purushottam D. Gujrati
language : en
Publisher: John Wiley & Sons
Release Date : 2010-03-30
Modeling And Simulation In Polymers written by Purushottam D. Gujrati 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 2010-03-30 with Technology & Engineering categories.
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.
Molecular Dynamics Simulation Of Nanocomposites Using Biovia Materials Studio Lammps And Gromacs
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Author : Sumit Sharma
language : en
Publisher: Elsevier
Release Date : 2019-08-09
Molecular Dynamics Simulation Of Nanocomposites Using Biovia Materials Studio Lammps And Gromacs written by Sumit Sharma and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-08-09 with Technology & Engineering categories.
Molecular Dynamics Simulation of Nanocomposites using BIOVIA Materials Studio, Lammps and Gromacs presents the three major software packages used for the molecular dynamics simulation of nanocomposites. The book explains, in detail, how to use each of these packages, also providing real-world examples that show when each should be used. The latter two of these are open-source codes which can be used for modeling at no cost. Several case studies how each software package is used to predict various properties of nanocomposites, including metal-matrix, polymer-matrix and ceramic-matrix based nanocomposites. Properties explored include mechanical, thermal, optical and electrical properties. This is the first book that explores methodologies for using Materials Studio, Lammps and Gromacs in the same place. It will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. Gives a detailed explanation of basic commands and modules of Materials Studio, Lammps and Gromacs Shows how Materials Studio, Lammps and Gromacs predict mechanical, thermal, electrical and optical properties of nanocomposites Uses case studies to show which software should be used to solve a variety of nanoscale modeling problems
Mechanics Of Particle And Fiber Reinforced Polymer Nanocomposites
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Author : Sumit Sharma
language : en
Publisher: John Wiley & Sons
Release Date : 2021-02-22
Mechanics Of Particle And Fiber Reinforced Polymer Nanocomposites written by Sumit Sharma 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 2021-02-22 with Technology & Engineering categories.
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.
Processing Characterization And Molecular Simulation Of Hybrid Fiber Conposite With Alumina Nano Particles
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Author : Oladapo A. Akinyede
language : en
Publisher:
Release Date : 2007
Processing Characterization And Molecular Simulation Of Hybrid Fiber Conposite With Alumina Nano Particles written by Oladapo A. Akinyede and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Molecular dynamics categories.
Focuses on the developmental and investigative studies of hybrid composites, which provide an effective way of integrating nano/micro level material constituents into bulk level structural materials. Provides an introduction and overview of the concept of hybrid composites; processing and fabrication of hybrid composites and nano material integration, their thermal and mechanical evaluation; and a study of molecular dynamics simulations in understanding the molecular level behavior.