Molecular Dynamics Simulations of Disordered Materials PDF Download
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Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Category : Technology & Engineering
Languages : en
Pages : 540
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Book Description
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.
Author: Carlo Massobrio
Publisher: Springer
ISBN: 3319156756
Category : Technology & Engineering
Languages : en
Pages : 540
Get Book Here
Book Description
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.
Author: Carlo Massobrio
Publisher:
ISBN: 9783319156767
Category :
Languages : en
Pages :
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Book Description
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.
Author: Jincheng Du
Publisher: John Wiley & Sons
ISBN: 1118940245
Category : Technology & Engineering
Languages : en
Pages : 564
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Book Description
A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.
Author: Dongshuai Hou
Publisher: Springer Nature
ISBN: 9811387117
Category : Technology & Engineering
Languages : en
Pages : 205
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Book Description
This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.
Author:
Publisher: Elsevier
ISBN: 0444640630
Category : Technology & Engineering
Languages : en
Pages : 862
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Book Description
Handbook of Thermal Analysis and Calorimetry: Recent Advances, Techniques and Applications, Volume Six, Second Edition, presents the latest in a series that has been well received by the thermal analysis and calorimetry community. This volume covers recent advances in techniques and applications that complement the earlier volumes. There has been tremendous progress in the field in recent years, and this book puts together the most high-impact topics selected for their popularity by new editors Sergey Vyazovkin, Nobuyoshi Koga and Christoph Schick—all editors of Thermochimica Acta. Among the important new techniques covered are biomass conversion; sustainable polymers; polymer nanocompsoties; nonmetallic glasses; phase change materials; propellants and explosives; applications to pharmaceuticals; processes in ceramics, metals, and alloys; ionic liquids; fast-scanning calorimetry, and more. - Features 19 all-new chapters to bring readers up to date on the current status of the field - Provides a broad overview of recent progress in the most popular techniques and applications - Includes chapters authored by a recognized leader in each field and compiled by a new team of editors, each with at least 20 years of experience in the field of thermal analysis and calorimetry - Enables applications across a wide range of modern materials, including polymers, metals, alloys, ceramics, energetics and pharmaceutics - Overviews the current status of the field and summarizes recent progress in the most popular techniques and applications
Author: Punit Boolchand
Publisher: Frontiers Media SA
ISBN: 2889639878
Category : Medical
Languages : en
Pages : 190
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Book Description
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Author:
Publisher: World Scientific
ISBN: 9811215944
Category : Technology & Engineering
Languages : en
Pages : 1548
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Book Description
Amorphous solids (including glassy and non-crystalline solids) are ubiquitous since the vast majority of solids naturally occurring in our world are amorphous. Although the field is diverse and complex, this three-volume set covers the vast majority of the important concepts needed to understand these materials and their principal practical applications. One volume discusses the most important subset of amorphous insulators, namely oxide glasses; the other two volumes discuss the most important subsets of amorphous semiconductors, namely tetrahedrally coordinated amorphous semiconductors and amorphous and glassy chalcogenides. Together these three volumes provide a comprehensive set of theoretical concepts and practical information needed to become conversant in the field of amorphous materials. They are suitable for advanced graduate students, postdoctoral research associates, and researchers wishing to change fields or sub-fields.The topics covered in these three volumes include (1) concepts for understanding the structures of amorphous materials, (2) techniques to characterize the structural, electronic, and optical properties of amorphous materials, (3) the roles of defects in affecting the electronic and optical properties of amorphous materials, and (4) the concepts for understanding practical devices and other applications of amorphous materials. Applications discussed in these volumes include transistors, solar cells, displays, bolometers, fibers, non-volatile memories, vidicons, photoresists, and optical disks.
Author: Ilia A. Solov’yov
Publisher: Springer
ISBN: 3319560875
Category : Science
Languages : en
Pages : 460
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Book Description
This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).
Author: Pascal Richet
Publisher: John Wiley & Sons
ISBN: 1118799429
Category : Technology & Engineering
Languages : en
Pages : 1573
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Book Description
A comprehensive and up-to-date encyclopedia to the fabrication, nature, properties, uses, and history of glass The Encyclopedia of Glass Science, Technology, History, and Culture has been designed to satisfy the needs and curiosity of a broad audience interested in the most varied aspects of material that is as old as the universe. As described in over 100 chapters and illustrated with 1100 figures, the practical importance of glass has increased over the ages since it was first man-made four millennia ago. The old-age glass vessels and window and stained glass now coexist with new high-tech products that include for example optical fibers, thin films, metallic, bioactive and hybrid organic-inorganic glasses, amorphous ices or all-solid-state batteries. In the form of scholarly introductions, the Encyclopedia chapters have been written by 151 noted experts working in 23 countries. They present at a consistent level and in a self-consistent manner these industrial, technological, scientific, historical and cultural aspects. Addressing the most recent fundamental advances in glass science and technology, as well as rapidly developing topics such as extra-terrestrial or biogenic glasses, this important guide: Begins with industrial glassmaking Turns to glass structure and to physical, transport and chemical properties Deals with interactions with light, inorganic glass families and organically related glasses Considers a variety of environmental and energy issues And concludes with a long section on the history of glass as a material from Prehistory to modern glass science The Encyclopedia of Glass Science, Technology, History, and Culture has been written not only for glass scientists and engineers in academia and industry, but also for material scientists as well as for art and industry historians. It represents a must-have, comprehensive guide to the myriad aspects this truly outstanding state of matter.
Author: Michel A. Aegerter
Publisher: Springer Nature
ISBN: 3030273229
Category : Technology & Engineering
Languages : en
Pages : 1778
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Book Description
This indispensable handbook provides comprehensive coverage of the current state-of-the-art in inorganic, organic, and composite aerogels – from synthesis and characterization to cutting-edge applications and their potential market impact. Built upon Springer’s successful Aerogels Handbook published in 2011, this handbook features extensive revisions and timely updates, reflecting the changes in this fast-growing field. Aerogels are the lightest solids known to man. Up to 1000 times lighter than glass and with a density only four times that of air, they possess extraordinarily high thermal, electrical, and acoustic insulation properties, and boast numerous entries in Guinness World Records. Originally based on silica, R&D efforts have extended this class of materials to incorporate non-silicate inorganic oxides, natural and synthetic organic polymers, carbon, metal, and ceramic materials. Composite systems involving polymer-crosslinked aerogels and interpenetrating hybrid networks have been developed and exhibit remarkable mechanical strength and flexibility. Even more exotic aerogels based on clays, chalcogenides, phosphides, quantum dots, and biopolymers such as chitosan are opening new applications for the construction, transportation, energy, defense and healthcare industries. Applications in electronics, chemistry, mechanics, engineering, energy production and storage, sensors, medicine, nanotechnology, military and aerospace, oil and gas recovery, thermal insulation, and household uses are being developed. Readers of this fully updated and expanded edition will find an exhaustive source for all aerogel materials known today, their fabrication, upscaling aspects, physical and chemical properties, and the most recent advances towards applications and commercial use. This key reference is essential reading for a combined audience of graduate students, academic researchers, and industry professionals.
