Molecular Dynamics Of Glass Forming Systems

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Molecular Dynamics Of Glass Forming Systems

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Author : George Floudas
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-11-25

Molecular Dynamics Of Glass Forming Systems written by George Floudas 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 2010-11-25 with Technology & Engineering categories.

Pressure is one of the essential thermodynamic variables that, due to some former experimental difficulties, was long known as the “forgotten variable.” But this has changed over the last decade. This book includes the most essential first experiments from the 1960's and reviews the progress made in understanding glass formation with the application of pressure in the last ten years. The systems include amorphous polymers and glass-forming liquids, polypeptides and polymer blends. The thermodynamics of these systems, the relation of the structural relaxation to the chemical specificity, and their present and future potential applications are discussed in detail. The book provides (a) an overview of systems exhibiting glassy behavior in relation to their molecular structure and provides readers with the current state of knowledge on the liquid-to-glass transformation, (b) emphasizes the relation between thermodynamic state and dynamic response and (c) shows that the information on the pressure effects on dynamics can be employed in the design of materials for particular applications. It is meant to serve as an advanced introductory book for scientists and graduate students working or planning to work with dynamics. Several scientific papers dealing with the effects of pressure on dynamics have appeared in leading journals in the fields of physics in the last ten years. The book provides researchers and students new to the field with an overview of the knowledge that has been gained in a coherent and comprehensive way.

Encyclopedia Of Glass Science Technology History And Culture 2 Volume Set

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Author : Pascal Richet
language : en
Publisher: John Wiley & Sons
Release Date : 2021-03-16

Encyclopedia Of Glass Science Technology History And Culture 2 Volume Set written by Pascal Richet 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 2021-03-16 with Technology & Engineering categories.

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.

Molecular Dynamics Simulations Of Metallic Glass Formation And Structure

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Author : David C. Riegner
language : en
Publisher:
Release Date : 2016

Molecular Dynamics Simulations Of Metallic Glass Formation And Structure written by David C. Riegner and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with categories.

Metallic glasses, a class of metal alloys which lack a periodic crystal structure, exhibit exceptional property combinations not accessible by other classes of materials. In spite of promise for widespread application, metallic glasses are difficult to synthesize and understanding of their structure and behavior is limited compared to crystalline alloys. There is no predictive criterion for determining if a particular alloy is capable of forming glass. Numerous glass-forming alloys have been reported, spanning a wide range of possible properties largely through trial and error. Engineering of these materials is difficult, as the connection between atomic structure and macroscopic behavior is not sufficiently developed to exploit particular behaviors in any intentional capacity. Using Molecular Dynamics (MD) simulations, three metallic glass-forming systems, Al-La, Cu-Zr and Cu-Ti-Zr were investigated and compared with the intention of connecting structure to properties and illuminating differences in glass-forming behavior in different alloys. From these simulations a specific mechanism occurring in the liquid, the changing of nearest neighbor environments, was identified and correlated to liquid viscosity. The change in viscosity with temperature, called fragility, was connected to this atomic-scale behavior allowing glass formers and non-glass formers in the Al-La alloys system to be separated from each other. The structure of each glass is readily available from these simulations, and the changes to neighbor environments in Al-La and Cu-Zr alloys, were found to be very similar when comparing the smaller atom type (Al, Cu). Differences in system-wide behavior for Al-La and Cu-Zr can be described based upon the behavior of the larger atom type (La, Zr), where Zr causes a major change in behavior as the majority component not exhibited by even very La-rich alloys. This dissimilarity between La and Zr provides a plausible explanation for Cu-Zr’s superior glass-forming ability compared to Al-La. Experimental data indicated that Cu-Ti-Zr achieve maximum glass-forming ability near Cu51.7Zr36.7Ti11.6. The addition of Ti to the Cu-Zr binary system causes a decrease in nearest-neighbor-switching events and stabilizes structures formed in the liquid, rather than destroying them. Cu51.7Zr36.7Ti11.6 also divides two compositional regions of hardness dependence: above 37% Zr the hardness scales with the concentration of Cu, while below 37% Zr the hardness scales with the concentration of Ti. Based on concepts developed for Al-La and Cu-Zr it was revealed that removing Cu drastically reduced the number of efficiently-packed Cu-centered structures. Below 37% Zr this effect is compensated by an increase in other dense structures but above 37% the effect is both more potent and uncompensated. The loss of these structures is responsible for the changes in yield behavior, and has an effect on the GFA. Finally, extension of these simulations to additional systems requires new multi-component EAM potentials, an essential input for MD simulations. The Rapid Alloy Method for the Production of Accurate General Empirical Potentials (RAMPAGE) was developed to create new multi-component potentials from elemental potentials available in the literature. Using RAMPAGE, the characteristics identified in glass-forming systems can be investigated in other metallic systems.

Structure And Transport Properties In Organized Polymeric Materials

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Author : Emo Chiellini
language : en
Publisher: World Scientific
Release Date : 1998-03-19

Structure And Transport Properties In Organized Polymeric Materials written by Emo Chiellini and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-03-19 with Technology & Engineering categories.

This multi-authored book includes selected contributions reviewing the results achieved in the synthesis and characterization of organized polymeric materials. The focus is on competitive materials with liquid crystalline or electroconductive properties. The fine tuning of the properties offered by advanced chemical synthesis has been investigated by a large number of state-of-the-art techniques, including both microscopic (ESR, NMR, dielectrometry, fluorescence, IR, Raman spectroscopy) and macroscopic (calorimetric, mechanical) methodologies. The book also provides an updated coverage of the most challenging applications of organized polymers as functional materials in the fields of electrooptical devices, information retrieval and organic electroconductors.

Atomistic Simulations Of Glasses

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Author : Jincheng Du
language : en
Publisher: John Wiley & Sons
Release Date : 2022-04-05

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 2022-04-05 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.

Structural Studies Of Liquids And Glasses Using Aerodynamic Levitation

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Author : Thomas Farmer
language : en
Publisher: Springer
Release Date : 2014-07-07

Structural Studies Of Liquids And Glasses Using Aerodynamic Levitation written by Thomas Farmer and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-07 with Science categories.

This thesis presents neutron scattering data that contribute to the understanding of four distinct areas of condensed matter physics, including iso-compositional liquid-liquid phase transitions and the glass formation in rare earth doped BaTi2O5. In situ aerodynamic levitation with laser heating was combined with neutron scattering in order to study both liquid-liquid phase transitions in (Y2O3)x(Al2O3)1-x and the atomic and magnetic ordering in liquid Invar. Among several significant results, obtained in this case from small angle neutron scattering, was the absence of a phase transition across a range of temperatures and compositions in the yttria aluminates. As these are a principal system in which liquid-liquid phase transitions have been hypothesized, this is an important contribution in a contentious area.

Crystallization As Studied By Broadband Dielectric Spectroscopy

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Author : Tiberio A. Ezquerra
language : en
Publisher: Springer Nature
Release Date : 2020-10-28

Crystallization As Studied By Broadband Dielectric Spectroscopy written by Tiberio A. Ezquerra and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-28 with Science categories.

This book presents new approaches that offer a better characterization of the interrelationship between crystalline and amorphous phases. In recent years, the use of dielectric spectroscopy has significantly improved our understanding of crystallization. The combination of modern scattering methods, using either synchrotron light or neutrons and infrared spectroscopy with dielectrics, is now helping to reveal modifications of both crystalline and amorphous phases. In turn, this yields insights into the underlying physics of the crystallization process in various materials, e.g. polymers, liquid crystals and diverse liquids. The book offers an excellent introduction to a valuable application of dielectric spectroscopy, and a helpful guide for every scientist who wants to study crystallization processes by means of dielectric spectroscopy.

Fluids Colloids And Soft Materials

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Author : Alberto Fernandez-Nieves
language : en
Publisher: John Wiley & Sons
Release Date : 2016-04-27

Fluids Colloids And Soft Materials written by Alberto Fernandez-Nieves 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 2016-04-27 with Technology & Engineering categories.

This book presents a compilation of self-contained chapters covering a wide range of topics within the broad field of soft condensed matter. Each chapter starts with basic definitions to bring the reader up-to-date on the topic at hand, describing how to use fluid flows to generate soft materials of high value either for applications or for basic research. Coverage includes topics related to colloidal suspensions and soft materials and how they differ in behavior, along with a roadmap for researchers on how to use soft materials to study relevant physics questions related to geometrical frustration.

Broadband Dielectric Spectroscopy

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Author : Friedrich Kremer
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Broadband Dielectric Spectroscopy written by Friedrich Kremer 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 2012-12-06 with Technology & Engineering categories.

Both an introductory course to broadband dielectric spectroscopy and a monograph describing recent dielectric contributions to current topics, this book is the first to cover the topic and has been hotly awaited by the scientific community.

Structure And Dynamics Of Strongly Interacting Colloids And Supramolecular Aggregates In Solution

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Author : Sow-Hsin Chen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Structure And Dynamics Of Strongly Interacting Colloids And Supramolecular Aggregates In Solution written by Sow-Hsin Chen 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 2012-12-06 with Science categories.

During the last decade, various powerful experimental tools have been developed, such as small angle X-ray and neutron scattering, X-ray and neutron reflection from interfaces, neutron spin-echo spectroscopy and quasi-elastic multiple light scattering and large scale computer simulations. Due to the rapid progress brought about by these techniques, one witnesses a resurgence of interest in the physicochemical properties of colloids, surfactants and macromolecules in solution. Although these disciplines have a long history, they are at present rapidly transforming into a new, interdisciplinary research area generally known as complex liquids or soft condensed matter physics: names that reflect the considerable involvement of the chemical and condensed matter physicists. This book is based on lectures given at a NATO ASI held in the summer of 1991 and discusses these new developments, both in theory and experiment. It constitutes the most up-to-date and comprehensive summary of the entire field.