Molecular Dynamics Simulations of Disordered Materials

Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Format: PDF, ePub, Mobi
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This book is a unique reference work in the area of atomic-scale simulation of glasses. For the first time, a highly selected panel of about 20 researchers provides, in a single book, their views, methodologies and applications on the use of molecular dynamics as a tool to describe glassy materials. The book covers a wide range of systems covering "traditional" network glasses, such as chalcogenides and oxides, as well as glasses for applications in the area of phase change materials. The novelty of this work is the interplay between molecular dynamics methods (both at the classical and first-principles level) and the structure of materials for which, quite often, direct experimental structural information is rather scarce or absent. The book features specific examples of how quite subtle features of the structure of glasses can be unraveled by relying on the predictive power of molecular dynamics, used in connection with a realistic description of forces.

Monte Carlo and Molecular Dynamics Simulations in Polymer Science

Author: Kurt Binder
Publisher: Oxford University Press
ISBN: 9780195357462
Format: PDF, Kindle
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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.

Biocompatible Glasses

Author: Juliana Marchi
Publisher: Springer
ISBN: 331944249X
Format: PDF, Docs
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This book focuses on the applications of bioglasses in the biomedical field. It starts with the history and evolution of bioglasses before moving on to the structure and percolation theory, and lastly investigating their current and potential future applications in various fields including dentistry, tissue engineering, bone regeneration, ophthalmology, and drug delivery. The chapters were written by a team of international experts in the field and will be of great interest not only to material scientists, but also to medical doctors and other health sector professionals.

Damage and Fracture of Disordered Materials

Author: Dusan Krajcinovic
Publisher: Springer
ISBN: 3709125049
Format: PDF, Kindle
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The principal objective of this book is to relate the random distributions of defects and material strength on the microscopic scale with the deformation and residual strength of materials on the macroscopic scale. To reach this goal the authors considered experimental, analytical and computational models on atomic, microscopic and macroscopic scales.

Atomic Scale Modeling of Nanosystems and Nanostructured Materials

Author: Carlo Massobrio
Publisher: Springer Science & Business Media
ISBN: 3642046495
Format: PDF, ePub, Docs
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The book covers a variety of applications of modern atomic-scale modeling of materials in the area of nanoscience and nanostructured systems. By highlighting the most recent achievements obtained within a single institute, at the forefront of material science studies, the authors are able to provide a thorough description of properties at the nanoscale. The areas covered are structural determination, electronic excitation behaviors, clusters on surface morphology, spintronics and disordered materials. For each application, the basics of methodology are provided, allowing for a sound presentation of approaches such as density functional theory (of ground and excited states), electronic transport and molecular dynamics in its classical and first-principles forms. The book is a timely collection of theoretical nanoscience contributions fully in line with current experimental advances.

Disordered Materials

Author: Paolo Ossi
Publisher: Springer Science & Business Media
ISBN: 3662051583
Format: PDF, ePub
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This self-contained text introduces the physics of structurally disordered condensed systems at the level of advanced undergraduate and graduate students. Clearly presented and amply illustrated it provides stimulating and novel coverage of a difficult area. In this second edition, the treatment of the mode coupling theory of the glass transition has been enlarged and now connects to a new section on collective excitations in disordered systems.

Glassy Materials and Disordered Solids

Author: Kurt Binder
Publisher: World Scientific
ISBN: 9814350176
Format: PDF, ePub, Mobi
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This book gives a pedagogical introduction to the physics of amorphous solids and related disordered condensed matter systems. Important concepts from statistical mechanics such as percolation, random walks, fractals and spin glasses are explained. Using these concepts, the common aspects of these systems are emphasized, and the current understanding of the glass transition and the structure of glasses are concisely reviewed. This second edition includes new material on emerging topics in the field of disordered systems such as gels, driven systems, dynamical heterogeneities, growing length scales etc. as well as an update of the literature in this rapidly developing field.

The Glass Transition

Author: Ernst-Joachim Donth
Publisher: Springer Science & Business Media
ISBN: 9783540418016
Format: PDF, ePub, Mobi
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This is the first book dedicated to the glass transition since this concept became recognized as a distinct and independent field of investigation. The glass transition is a synonym for relaxation and dynamics in complex disordered systems, especially in liquids. It embraces time-scales ranging from picoseconds to years. The book describes and interrelates the following processes: cooperative alpha processes in a cold liquid, structural relaxation in the glass near Tg, the Johari-Goldstein beta process, the Williams-Götze process in a warm liquid, fast nonactivated cage rattling and boson peak, and ultraslow Fischer modes. By describing the salient facts, explaining and discussing the fundamentals, the author attempts to introduce a unifying concept for the entire material. The formulas, diagrams and references are carefully selected to illustrate the main current ideas about the glass transition.