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Atomistic Simulations of Glasses
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 glas...
Molecular Dynamics Simulations of Disordered Materials
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.
Computational Design of Engineering Materials
Introducing state-of-the art computational methods, this book combines detailed explanations with real-world case studies to give a full grounding in the design of engineering materials. This book presents a wide spectrum of key computational methods, such as CALPHAD-method, first-principles calculations, phase-field simulation and finite element analysis, covering the atomic-meso-macro scale range. The reader will see these methods applied to case studies for steel, light alloys, superalloys, cemented carbides, hard coating and energy materials, demonstrating in detail how real-world materials are designed. Online ancillary material includes input files for computational design software, providing the reader with hands-on design experience. Step-by-step instructions will allow you to perform and repeat the simulations discussed in the book. Aimed at both graduate and undergraduate students as well as non-specialist researchers in materials science and engineering, including ceramics, metallurgy, and chemistry, this is an ideal introductory and reference book.
Fiberglass Science and Technology
This book highlights recent developments in fiberglass research and technology development, including high-performance fiberglass chemistry; in-depth glass network structure information derived from the-state-of-the-art spectroscopic measurements, molecular dynamics simulations, and their correlations with properties; fiber surface chemistry in relation to sizing chemistry - a critical part of composite performance; fiber process stability; fundamental understanding of the batch-to-melt conversion processes and melt flow simulations; and environmental concerns such as energy efficiency and emission of volatile species, which are key to environmentally-friendly product manufacturing. The book...
Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME)
In its most advanced form, Integrated Computational Materials Engineering (ICME) holistically integrates manufacturing simulation, advanced materials models and component performance analysis. This volume contains thirty-five papers presented at the 1st World Congress on Integrated Computational Materials Engineering. Modeling processing-microstructure relationships, modeling microstructure-property relationships, and the role of ICME in graduate and undergraduate education are discussed. Ideal as a primary text for engineering students, this book motivates a wider understanding of the advantages and limitations offered by the various computational (and coordinated experimental) tools of this field.
Topology of Disordered Networks and their Applications
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.
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Advances in Corrosion Control of Magnesium and its Alloys
Magnesium (Mg) and its alloys have received widespread acceptance in automobile industries and biomedical applications with substantial recent advancements made in their development, however a significant limitation remains their poor aqueous and galvanic corrosion resistance. This book covers both the fundamentals and recent advancements in two major corrosion protection strategies of magnesium and its alloys, namely, metal-matrix composites and protective coatings. Key features: Covers all aspects of metal-matrix composites and protective coatings for magnesium alloys to improve their corrosion resistance, wear resistance, mechanical properties and biocompatibility Provides the most recent research advancements in the corrosion mitigation strategies of magnesium and its alloys Complete with case studies specific to practical applications, this book serves as a ready reference for graduate students, researchers, engineers and industry professionals in the fields of materials, corrosion science, biofouling and protective coatings.
