Molecular Dynamics Simulations of Disordered Materials

Molecular Dynamics Simulations of Disordered Materials PDF 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.

Molecular Dynamics Simulations of Disordered Materials

Molecular Dynamics Simulations of Disordered Materials PDF Author: Carlo Massobrio
Publisher:
ISBN: 9783319156767
Category :
Languages : en
Pages :

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.

Disordered Materials

Disordered Materials PDF Author: Paolo M. Ossi
Publisher: Springer Nature
ISBN: 3662684284
Category :
Languages : en
Pages : 380

Get Book Here

Book Description


Atomistic Simulations of Glasses

Atomistic Simulations of Glasses PDF Author: Jincheng Du
Publisher: John Wiley & Sons
ISBN: 1118940245
Category : Technology & Engineering
Languages : en
Pages : 564

Get Book Here

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.

Topology of Disordered Networks and their Applications

Topology of Disordered Networks and their Applications PDF Author: Punit Boolchand
Publisher: Frontiers Media SA
ISBN: 2889639878
Category : Medical
Languages : en
Pages : 190

Get Book Here

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.

Molecular Dynamics of Nanostructures and Nanoionics

Molecular Dynamics of Nanostructures and Nanoionics PDF Author: Junko Habasaki
Publisher: CRC Press
ISBN: 1000043274
Category : Medical
Languages : en
Pages : 339

Get Book Here

Book Description
Nanostructured materials with multiple components and complex structures are the current focus of research and are expected to develop further for material designs in many applications in electrochemical, colloidal, medical, pharmaceutical, and several other fields. This book discusses complex nanostructured systems exemplified by nanoporous silicates, spontaneously formed gels from silica-nanocolloidal solutions, and related systems, and examines them using molecular dynamics simulations. Nanoporous materials, nanocolloidal systems, and gels are useful in many applications and can be used in electric devices and storage, and for gas, ion, and drug delivery. The book gives an overview of the history, current status, and frontiers of the field. It also discusses the fundamental aspects related to the common behaviors of some of these systems and common analytical methods to treat them.

Glassy Materials And Disordered Solids: An Introduction To Their Statistical Mechanics

Glassy Materials And Disordered Solids: An Introduction To Their Statistical Mechanics PDF Author: Kurt Binder
Publisher: World Scientific Publishing Company
ISBN: 9813106611
Category : Science
Languages : en
Pages : 453

Get Book Here

Book Description
The physics of glassy materials and disordered solids presents students with an area of study much more challenging than the physics of crystalline solids. Written by two recognized experts in the field, this highly readable book tackles the subject with the student firmly in mind, beginning with a pedagogical introduction to important concepts such as percolation, fractals, spin glasses, and glasses. Making use of these concepts, the authors show that such systems share many common aspects that can be described within the framework of statistical mechanics. The book is also an essential standard text for researchers on amorphous materials, equally accessible for theorists and experimentalists.

Nanofins

Nanofins PDF Author: Navdeep Singh
Publisher: Springer Science & Business Media
ISBN: 1461485320
Category : Science
Languages : en
Pages : 80

Get Book Here

Book Description
Nanofins Science and Technology describes the heat transfer effectiveness of polymer coolants and their fundamental interactions with carbon nanotube coatings that act as nanofins. Heat transfer at micro/nano-scales has attracted significant attention in contemporary literature. This has been primarily driven by industrial requirements where significant decrease in the size of electronic devices/chips with concomitant enhancement in the heat flux have caused challenging needs for cooling of these platforms. With quantum effects kicking in, traditional cooling techniques need to be replaced with more effective technologies. A promising technique is to enhance heat transfer by surface texturing using nanoparticle coatings or engineered nanostructures. These nanostructures are termed as nanofins because they augment heat transfer by a combination of surface area enhancement as well as liquid-solid interactions at the molecular scale.

Biocompatible Glasses

Biocompatible Glasses PDF Author: Juliana Marchi
Publisher: Springer
ISBN: 331944249X
Category : Technology & Engineering
Languages : en
Pages : 338

Get Book Here

Book Description
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.

Handbook of Thermal Analysis and Calorimetry

Handbook of Thermal Analysis and Calorimetry PDF Author:
Publisher: Elsevier
ISBN: 0444640630
Category : Technology & Engineering
Languages : en
Pages : 862

Get Book Here

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