Computer Simulations of Simple Liquids with Tetrahedral Local Order PDF Download

Author:
Publisher:
ISBN: 9789171559012
Category :
Languages : en
Pages : 65

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Author: Avraam I. Isayev
Publisher: John Wiley & Sons
ISBN: 352731931X
Category : Science
Languages : en
Pages : 522

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A complete and timely overview of the topic, this Encyclopedia imparts knowledge of fundamental principles and their applications for academicians, scientists and researchers, while informing engineers, industrialists and entrepreneurs of the current state of the technology and its utilization. The most comprehensive source on polymer blends available on the market Offers a complete and timely overview of the topic Each article presents up to date research & development on a topic and its basic principles and applications, integrates case studies, laboratory and pilot plant experiments, and gives due reference to published and patented literature Equips academics, scientists and researchers with knowledge of fundamentals principles and their applications, and informs the engineers, industrialists and entrepreneurs about the state of the art technology and its applications

Author: Zhenyu Yan
Publisher:
ISBN:
Category :
Languages : en
Pages : 236

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Abstract: This thesis applies statistical physics approaches and computer simulations to investigate quantitatively the relationship between the structure and the dynamic and thermodynamic anomalies observed in water and some other simple liquids. In Chapter 1, we give a general introduction to the properties of water. In Chapter 2 we address the question of whether spherically-symmetric potentials are also able to reproduce the structural anomalies found in systems with local tetrahedral order. We find that water-like structural order anomalies exist for the two-scale "ramp potential". Our findings suggest that the water-like relationship between structural order and anomalies is related to the presence of two different length scales in the potential. In Chapter 3, we use the ratio of characteristic length scales of the two-scale ramp potential as a control parameter to investigate the evolution of dynamic, thermodynamic and structural anomalies. In this manner we show that the family of tunable spherically-symmetric potentials so generated evolves continuously between water-like and hard sphere behavior. These findings suggest that strong orientational interactions in the first shell of water are not necessary for a liquid to show thermodynamic, dynamic and structural anomalies, and highlight the importance of the second shell of water. In Chapter 4, we investigate how much orientation-dependent first-shell interaction and the second-shell environment each contribute to water's anomalies. We show that the changes in the second shell of water are the structural bases for the anomalies. In Chapter 5, we study the quantitative connection between our idealized ramp potential and water's pair potential, as well as the relation between the regions of anomalies in their respective phase diagrams. Finally in Chapter 6 we show that the "two-body excess entropy" is a useful quantity for predicting the regions of thermodynamic, dynamic and structural anomalies of water.

Author: Claudio Zannoni
Publisher: Cambridge University Press
ISBN: 1108337325
Category : Science
Languages : en
Pages :

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Standing as the first unified textbook on the subject, Liquid Crystals and Their Computer Simulations provides a comprehensive and up-to-date treatment of liquid crystals and of their Monte Carlo and molecular dynamics computer simulations. Liquid crystals have a complex physical nature, and, therefore, computer simulations are a key element of research in this field. This modern text develops a uniform formalism for addressing various spectroscopic techniques and other experimental methods for studying phase transitions of liquid crystals, and emphasises the links between their molecular organisation and observable static and dynamic properties. Aided by the inclusion of a set of Appendices containing detailed mathematical background and derivations, this book is accessible to a broad and multidisciplinary audience. Primarily intended for graduate students and academic researchers, it is also an invaluable reference for industrial researchers working on the development of liquid crystal display technology.

Author: Manfred L. Ristig
Publisher: Springer
ISBN: 3540458816
Category : Science
Languages : en
Pages : 206

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Interesting and new specific results of current theoretical and experimental work in various fields at the frontier of particle scattering and X-ray diffraction are reviewed in this volume. Special emphasis is placed on the study of the microstructure of solids, crystals and liquids, both classically and quantum mechanically. This gives the reader essential insights into the dynamics and properties of these states of matter. The authors address students interested in the physics of quantum solids, crystallography and material science as well as physical chemistry and computational physics.

Author: Chary Rangacharyulu
Publisher: World Scientific
ISBN: 981446550X
Category : Science
Languages : en
Pages : 345

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This unique proceedings volume offers one of the very first truly interdisciplinary conferences ever organized. More than 15 papers in this volume are written by some of the most acclaimed researchers in their field. Contributions range over a very wide spectrum of disciplines: biology; computer science; economics; education; health sciences; operations research; philosophy; physics; psychology; mathematics; music and sociology.

Author: Gerardo Cisneros
Publisher: World Scientific
ISBN: 9814545805
Category :
Languages : en
Pages : 421

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This book provides a wide-ranging and up-to-date description of state-of-the-art computational methodologies in chemistry and chemical engineering. It displays a representative mix of topics on the computation and modeling of chemical systems of all sizes, from the very small (atomic) to the very large (industrial). The book constitutes an excellent overview for graduate students as well as a critical update for researchers.

Author:
Publisher:
ISBN:
Category : Physics
Languages : en
Pages : 1288

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Author: Paola Gallo
Publisher: Springer Nature
ISBN: 3030683494
Category : Science
Languages : en
Pages : 329

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This book offers a didactic and a self-contained treatment of the physics of liquid and flowing matter with a statistical mechanics approach. Experimental and theoretical methods that were developed to study fluids are now frequently applied to a number of more complex systems generically referred to as soft matter. As for simple liquids, also for complex fluids it is important to understand how their macroscopic behavior is determined by the interactions between the component units. Moreover, in recent years new and relevant insights have emerged from the study of anomalous phases and metastable states of matter. In addition to the traditional topics concerning fluids in normal conditions, the authors of this book discuss recent developments in the field of disordered systems in condensed and soft matter. In particular they emphasize computer simulation techniques that are used in the study of soft matter and the theories and study of slow glassy dynamics. For these reasons the book includes a specific chapter about metastability, supercooled liquids and glass transition. The book is written for graduate students and active researchers in the field.

Author: G.G.N Angilella
Publisher: Springer
ISBN: 331972374X
Category : Technology & Engineering
Languages : en
Pages : 386

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Book Description
This book presents a collection of invited research and review contributions on recent advances in (mainly) theoretical condensed matter physics, theoretical chemistry, and theoretical physics. The volume celebrates the 90th birthday of N.H. March (Emeritus Professor, Oxford University, UK), a prominent figure in all of these fields. Given the broad range of interests in the research activity of Professor March, who collaborated with a number of eminent scientists in physics and chemistry, the volume embraces quite diverse topics in physics and chemistry, at various dimensions and energy scales. One thread connecting all these topics is correlation in aggregated states of matter, ranging from nuclear physics to molecules, clusters, disordered condensed phases such as the liquid state, and solid state physics, and the various phase transitions, both structural and electronic, occurring therein. A final chapter leaps to an even larger scale of matter aggregation, namely the universe and gravitation. A further no less important common thread is methodological, with the application of theoretical physics and chemistry, particularly density functional theory and statistical field theory, to both nuclear and condensed matter.