Molecular Dynamics Simulations Of Disordered Materials

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Molecular Dynamics Simulations Of Disordered Materials

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Author : Carlo Massobrio
language : en
Publisher: Springer
Release Date : 2015-04-22

Molecular Dynamics Simulations Of Disordered Materials written by Carlo Massobrio and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-04-22 with Technology & Engineering categories.

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

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Author : Carlo Massobrio
language : en
Publisher:
Release Date : 2015

Molecular Dynamics Simulations Of Disordered Materials written by Carlo Massobrio and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with categories.

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

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Author : Paolo M. Ossi
language : en
Publisher: Springer Nature
Release Date : 2024-06-08

Disordered Materials written by Paolo M. Ossi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-06-08 with Technology & Engineering categories.

This self-contained textbook takes readers on a comprehensive journey through the intricate realm of physics in structurally disordered condensed materials. Tailored for advanced undergraduate and graduate students, this book unfolds the complexities step by step. In this updated and enlarged 3rd edition, fundamental building blocks serve as the foundation for constructing structural models of disordered solids, delving into their geometry and symmetry. The scope of the book encompasses the phenomenology and various models of the glass transition, elucidating the characteristics of bulk metallic glasses. Structural analysis techniques for amorphous solids, the role of atomic clusters in structure evolution, quasicrystals, nanometer-sized disordered solids, cluster-assembled materials, and the synthesis and assembly of nanoparticles are explored. The text also navigates through the intricacies of transport and localization in heavily disordered materials, offering insights into controlled growth of thin films. Throughout, the narrative is enriched with references to recent and pertinent results, both experimental and theoretical, providing readers with a gateway to the latest and most dynamic research areas in the field.

Molecular Dynamics Of Nanostructures And Nanoionics

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Author : Junko Habasaki
language : en
Publisher: CRC Press
Release Date : 2020-11-30

Molecular Dynamics Of Nanostructures And Nanoionics written by Junko Habasaki and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-30 with Medical categories.

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.

Atomistic Simulations Of Glasses

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Author : Jincheng Du
language : en
Publisher: John Wiley & Sons
Release Date : 2022-03-29

Atomistic Simulations Of Glasses written by Jincheng Du and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-03-29 with Technology & Engineering categories.

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

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Author : Punit Boolchand
language : en
Publisher: Frontiers Media SA
Release Date : 2020-09-03

Topology Of Disordered Networks And Their Applications written by Punit Boolchand and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-03 with Medical categories.

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.

Biocompatible Glasses

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Author : Juliana Marchi
language : en
Publisher: Springer
Release Date : 2016-11-30

Biocompatible Glasses written by Juliana Marchi and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-30 with Technology & Engineering categories.

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.

Advances In Computational Methods And Modeling For Science And Engineering

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Author : Hari M Srivastava
language : en
Publisher: Elsevier
Release Date : 2025-02-04

Advances In Computational Methods And Modeling For Science And Engineering written by Hari M Srivastava and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-04 with Computers categories.

Advances in Computational Methods and Modelling in Science and Engineering explores the application of computational techniques and modeling approaches in science and engineering, providing practical knowledge and skills for tackling complex problems using numerical simulations and data analysis. This book addresses the need for a cohesive and up-to-date resource in the rapidly evolving field of computational methods. It consolidates diverse topics, serving as a one-stop guide for individuals seeking a comprehensive understanding of the subject matter. Sections focus on mathematical techniques that provide global solutions for models arising in engineering and scientific research applications by considering their long-term benefits.The mathematical treatment of these models is very helpful in understanding these models and their real-world applications. The methods and modeling techniques presented are useful for mathematicians, engineers, scientists, and researchers working on the mathematical treatment of models in a wide range of applications, including disciplines such as engineering, physics, chemistry, computer science, and applied mathematics. - Provides comprehensive coverage of computational methods and modeling techniques applicable to science and engineering - Emphasizes practical application by providing real-world examples - Offers practical guidance and step-by-step examples to help readers overcome challenges related to implementing algorithms, interpreting results, and effectively applying computational methods in their work

Nanofins

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Author : Navdeep Singh
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-19

Nanofins written by Navdeep Singh and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-19 with Science categories.

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.

Molecular Simulation On Cement Based Materials

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Author : Dongshuai Hou
language : en
Publisher: Springer Nature
Release Date : 2019-09-26

Molecular Simulation On Cement Based Materials written by Dongshuai Hou and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-26 with Technology & Engineering categories.

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.