Zusammenfassung: The book provides a detailed quantitative study and characterization of the physics of the thermal and viscoelastic behavior of mainly amorphous materials, and addresses a readership of both undergraduate (Part I and the two first chapters of Part II) and graduate students and junior researchers (Parts II and III). Though the discussion and examples concentrate on polymer materials, Part II illustrates the potential universality of the proposed most recent treatment - a Cooperative Theory of Materials Dynamics (CTMD) - and its ability to portray the 11 major physical characteristics of the materials' behavior by an alternative view of the thermal equilibrium and non-equilibrium dynamics at the "micro-scale", the still challenging problem of the glass transition and glass transition temperature, how partial crosslinking or crystallization limits the response, the expected impact of molecular packing, and of a few other open challenges. Part III discusses three specific domains where new applications and extensions of CTMD might be explored, while three Appendixes collect a few quantitative details and extensions of the treatment

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

Issues in Nuclear, High Energy, Plasma, Particle, and Condensed Matter Physics: 2012 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Nuclear Physics. The editors have built Issues in Nuclear, High Energy, Plasma, Particle, and Condensed Matter Physics: 2012 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Nuclear Physics in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Nuclear, High Energy, Plasma, Particle, and Condensed Matter Physics: 2012 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

This book introduces nanocomposite materials possessing a broad range of multifunctionality. It elucidates novel and highly original developments from recent research and development of these critical, new engineered materials. The collection examines multiscale modeling, molecular dynamics, atomistic based continuum, synthesis and characterization, condition health monitoring, spectroscopic characterization techniques, self-lubricating materials, and conducting polymers. The volume features the latest efforts of some of the most eminent researchers in the world. Providing a range of perspectives from the laboratory and the field, Advances in Nanocomposites: Modeling and Characterization is ideal for engineers, physicists, and materials scientists in academia and industry.

Presenting cutting-edge research and development within multiscale modeling techniques and frameworks, Multiscale Analysis of Deformation and Failure of Materials systematically describes the background, principles and methods within this exciting new & interdisciplinary field. The author’s approach emphasizes the principles and methods of atomistic simulation and its transition to the nano and sub-micron scale of a continuum, which is technically important for nanotechnology and biotechnology. He also pays close attention to multiscale analysis across the micro/meso/macroscopy of a continuum, which has a broad scope of applications encompassing different disciplines and practices, and is an essential extension of mesomechanics. Of equal interest to engineers, scientists, academics and students, Multiscale Analysis of Deformation and Failure of Materials is a multidisciplinary text relevant to those working in the areas of materials science, solid and computational mechanics, bioengineering and biomaterials, and aerospace, automotive, civil, and environmental engineering. Provides a deep understanding of multiscale analysis and its implementation Shows in detail how multiscale models can be developed from practical problems and how to use the multiscale methods and software to carry out simulations Discusses two interlinked categories of multiscale analysis; analysis spanning from the atomistic to the micro-continuum scales, and analysis across the micro/meso/macro scale of continuum.

Computer Simulation Studies in Condensed-Matter Physics VIII covers recent developments in this field presented at the 1995 workshop, such as new algorithms, methods of analysis, and conceptual developments. This volume is composed of three parts. The first part contains invited papers that deal with simulational studies of classical systems. The second part is devoted to invited papers on quantum systems, including new results for strongly correlated electron and quantum spin models. The final part comprises contributed presentations.

This book provides introductory, comprehensive, and concise descriptions of amorphous chalcogenide semiconductors and related materials. It includes comparative portraits of the chalcogenide and related materials including amorphous hydrogenated Si, oxide and halide glasses, and organic polymers. It also describes effects of non-equilibrium disorder, in comparison with those in crystalline semiconductors.

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.

Recent years have witnessed the sheer growth of macromolecular concepts and nanotechnology-based innovations in polymer science. Processing and Characterization of Multicomponent Polymer Systems is a collection of contributions from materials science experts across the globe. The fabrication and characterization of polymeric systems are still important in the study of materials science, and the quality measurements of newly designed polymeric stuffs demand systematic and new characterization protocols. The volume highlights some of the latest innovations and principles of nanostructured polymeric materials and polymer nanocomposites. It is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. Organized into several sections, the chapters cover a selection of topics on: Biocomposites and nanocomposites Interpenetrating polymeric networks and nanostructured materials Theoretical protocols for polymers and clusters Special topics in polymer processing and polymer coating. This survey will be an important resource for those involved in the field of polymer materials design for advanced technologies, including scientists, engineers, and budding researchers working in the area of polymer science and nanotechnology.

This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.