Molecular Dynamics of Glass-Forming Systems

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Release : 2010-11-25
Genre : Technology & Engineering
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Book Rating : 028/5 ( reviews)

Molecular Dynamics of Glass-Forming Systems - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics of Glass-Forming Systems write by George Floudas. This book was released on 2010-11-25. Molecular Dynamics of Glass-Forming Systems available in PDF, EPUB and Kindle. 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.

Study of the Dynamics of Glass Forming Liquids Using Molecular Dynamics Simulations

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Release : 2010
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Study of the Dynamics of Glass Forming Liquids Using Molecular Dynamics Simulations - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Study of the Dynamics of Glass Forming Liquids Using Molecular Dynamics Simulations write by Christopher Henry Sokolowski. This book was released on 2010. Study of the Dynamics of Glass Forming Liquids Using Molecular Dynamics Simulations available in PDF, EPUB and Kindle.

Molecular Dynamics Simulations of Metallic Glass Formation and Structure

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Release : 2016
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Molecular Dynamics Simulations of Metallic Glass Formation and Structure - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics Simulations of Metallic Glass Formation and Structure write by David C. Riegner. This book was released on 2016. Molecular Dynamics Simulations of Metallic Glass Formation and Structure available in PDF, EPUB and Kindle. 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.

Mechanical and Viscoelastic Properties of Glass-forming Polymers in the Bulk and Thin Films

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Release : 2017
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Mechanical and Viscoelastic Properties of Glass-forming Polymers in the Bulk and Thin Films - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Mechanical and Viscoelastic Properties of Glass-forming Polymers in the Bulk and Thin Films write by Ivan Kriuchevskyi. This book was released on 2017. Mechanical and Viscoelastic Properties of Glass-forming Polymers in the Bulk and Thin Films available in PDF, EPUB and Kindle. Focusing on the equilibrium shear modulus Geq of well-known glass-forming polymer model system (sampled by means of MD), we have addressed the general question of how the mechanical properties of the thin polymer films differs from the bulk. Using ”stress fluctuation” formalism we obtained Geq(T) for the bulk and films. It has been demonstrated that in both cases Geq unambiguously separates the fluid state (Geq = 0) from the glass (Geq > 0). We also stressed that Geq for the film does not only depend on film thickness h, but also on tangential pressure that is a consequence of the film preparation procedure.

Molecular Dynamics and Relaxation Phenomena in Glasses

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Release : 1987
Genre : Chemistry
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Book Rating : 879/5 ( reviews)

Molecular Dynamics and Relaxation Phenomena in Glasses - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Dynamics and Relaxation Phenomena in Glasses write by Thomas Dorfmüller. This book was released on 1987. Molecular Dynamics and Relaxation Phenomena in Glasses available in PDF, EPUB and Kindle. This book presents the proceedings of a workshop on glass-forming liquids held at the University of Bielefeld in 1985. The aim of the meeting was to seek unifying interpretations which may apply to all glass-forming materials like inorganic and polymer glasses. Also, new data was presented and modern interpretations were applied which represent the state-of-the-art knowledge about the unusual physical properties of these chemically-diverse glass-forming materials. The book should be of interest to specialists in the subject, to polymer scientists, glass technologists and materials scientists, but also - and most importantly - to researchers and teachers who wish to become informed on some of the most recent fundamental research in the fields.