An Introduction to Molecular Dynamics Simulation of Polymer Composites PDF Download
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Author: Sumit Sharma
Publisher: Nova Science Publishers
ISBN: 9781536174083
Category : Molecular dynamics
Languages : en
Pages : 341
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Book Description
"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"--
Author: Sumit Sharma
Publisher: Nova Science Publishers
ISBN: 9781536174083
Category : Molecular dynamics
Languages : en
Pages : 341
Get Book Here
Book Description
"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"--
Author: Sumit Sharma
Publisher: Elsevier
ISBN: 0128169559
Category : Technology & Engineering
Languages : en
Pages : 368
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Book Description
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
Author: Sumit Sharma
Publisher: John Wiley & Sons
ISBN: 1119653630
Category : Technology & Engineering
Languages : en
Pages : 320
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Book Description
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.
Author: Sumit Sharma
Publisher: CRC Press
ISBN: 1000352161
Category : Science
Languages : en
Pages : 559
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Book Description
Composite materials find diverse applications in areas including aerospace, automotive, architecture, energy, marine and military. This comprehensive textbook discusses three important aspects including manufacturing, mechanics and dynamic mechanical analysis of composites. The textbook comprehensively presents fundamental concepts of composites, manufacturing techniques and advanced topics including as advances in composite materials in various fields, viscoelastic behavior of composites, toughness of composites and Nano mechanics of composites in a single volume. Topics such as polymer matrix composites, metal matrix composites, ceramic matrix composites, micromechanical behavior of a lamina, micromechanics and nanomechanics are discussed in detail. Aimed at senior undergraduate and graduate students for a course on composite materials in the fields of mechanical engineering, automobile engineering and electronics engineering, this book: Discusses mechanics and manufacturing techniques of composite materials in a single volume. Explains viscoelastic behavior of composites in a comprehensive manner. Covers fatigue, creep and effect of thermal stresses on composites. Discusses concepts including bending, buckling and vibration of laminated plates in detail. Explains dynamic mechanical analysis (DMA) of composites.
Author: Sushanta K. Sethi
Publisher: Springer Nature
ISBN: 9819708885
Category :
Languages : en
Pages : 408
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Book Description
Author: Japan Association for Chemical Innovation
Publisher: Springer
ISBN: 9811008159
Category : Science
Languages : en
Pages : 391
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Book Description
This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
Author: Victor V. Tcherdyntsev
Publisher: MDPI
ISBN: 3036509682
Category : Science
Languages : en
Pages : 358
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Book Description
This book, consisting of 21 articles, including three review papers, written by research groups of experts in the field, considers recent research on reinforced polymer composites. Most of them relate to the fiber-reinforced polymer composites, which are a real hot topic in the field. Depending on the reinforcing fiber nature, such composites are divided into synthetic and natural fiber-reinforced ones. Synthetic fibers, such as carbon, glass, or basalt, provide more stiffness, while natural fibers, such as jute, flax, bamboo, kenaf, and others, are inexpensive and biodegradable, making them environmentally friendly. To acquire the benefits of design flexibility and recycling possibilities, natural reinforcers can be hybridized with small amounts of synthetic fibers to make them more desirable for technical applications. Elaborated composites have great potential as structural materials in automotive, marine and aerospace application, as fire resistant concrete, in bridge systems, as mechanical gear pair, as biomedical materials for dentistry and orthopedic application and tissue engineering, as well as functional materials such as proton-exchange membranes, biodegradable superabsorbent resins and polymer electrolytes.
Author: ConferenceSeries
Publisher: ConferenceSeries
ISBN:
Category : Science
Languages : en
Pages : 114
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Book Description
September 17-18, 2018 Berlin, Germany Key Topics : Graphene Modification and Functionalization, Graphene Synthesis, Applications of Carbon in Energy, Graphene and 2D Materials based Nanocomposites, Emerging Trends in the field of Graphene Nano, Carbon nanotubes and graphene, Semiconductor Materials and Nanostructures, Graphene-like 2D materials, Graphene nano In Energy and Storage, Carbon nano chips and nanostructures,
Author: Sabu Thomas
Publisher: CRC Press
ISBN: 1771880287
Category : Science
Languages : en
Pages : 422
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Book Description
The collection of topics in this book reflects the diversity of recent advances in nanoelements formation and interactions in nanosystems with a broad perspective that is useful for scientists as well as for graduate students and engineers. One of the main tasks in making nanocomposites is building the dependence of the structure and shape of the nanoelements, forming the basis for the composite of their sizes. This is because with an increase or a decrease in the specific size of nanoelements, their physical–mechanical properties such as the coefficient of elasticity, strength, and deformation parameter, vary by over one order. The calculations show that this is primarily due to a significant rearrangement of the atomic structure and the shape of the nanoelement. The investigation of the above parameters of the nanoelements is technically complicated and laborious because of their small sizes. When the characteristics of powder nanocomposites are calculated, it is also very important to take into account the interaction of the nanoelements since the changes in their original shapes and sizes in the interaction process and during the formation of the nanocomposite can lead to a significant change in its properties and a cardinal structural rearrangement. In addition, the studies show the appearance of the processes of the ordering and self-assembling leading to a more organized form of a nanosystem. The above phenomena play an important role in nanotechnological processes. They allow nanotechnologies to be developed for the formation of nanostructures by the self-assembling method (which is based on self-organizing processes) and building up complex spatial nanostructures consisting of different nanoelements. The study of the above dependences based on the mathematical modeling methods requires the solution of the aforementioned problem at the atomic level. This requires large computational aids and computational time, which makes the development of economical calculation methods urgent. The objective of this volume is the development of such a technique in various nanosystems.
Author: A. K. Haghi
Publisher: CRC Press
ISBN: 1498757073
Category : Science
Languages : en
Pages : 995
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Book Description
Nanoscale science, engineering, and technology-commonly referred to collectively as nanotechnology-is believed by many to offer extraordinary economic and societal benefits. Nanotechnology is generally defined as the ability to create and use materials, devices, and systems with unique properties at the scale of approximately 1 to 100 nm. Nanotechn
