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Molecular Dynamics Simulations Of Controlled Crystallization
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Book Synopsis Molecular Dynamics Simulation by : Kun Zhou
Download or read book Molecular Dynamics Simulation written by Kun Zhou and published by Academic Press. This book was released on 2022-02-10 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches. The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented. The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance. - Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation - Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems - Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems
Book Synopsis Molecular Modeling Applications in Crystallization by : Allan S. Myerson
Download or read book Molecular Modeling Applications in Crystallization written by Allan S. Myerson and published by Cambridge University Press. This book was released on 1999-06-28 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to introduce molecular modeling and its applications in crystallization - written by leading experts in the field.
Book Synopsis Account of Arnold's Campaign Against Quebec by : John Joseph Henry
Download or read book Account of Arnold's Campaign Against Quebec written by John Joseph Henry and published by . This book was released on 1877 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Dynamics Simulations of Disordered Materials by : Carlo Massobrio
Download or read book Molecular Dynamics Simulations of Disordered Materials written by Carlo Massobrio and published by Springer. This book was released on 2015-04-22 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Dispersity, Structure and Phase Changes of Proteins and Bio Agglomerates in Biotechnological Processes by : Arno Kwade
Download or read book Dispersity, Structure and Phase Changes of Proteins and Bio Agglomerates in Biotechnological Processes written by Arno Kwade and published by Springer Nature. This book was released on with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Phase Transitions in Polymers: The Role of Metastable States by : Stephen Z.D. Cheng
Download or read book Phase Transitions in Polymers: The Role of Metastable States written by Stephen Z.D. Cheng and published by Elsevier. This book was released on 2008-09-10 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: A classical metastable state possesses a local free energy minimum at infinite sizes, but not a global one. This concept is phase size independent. We have studied a number of experimental results and proposed a new concept that there exists a wide range of metastable states in polymers on different length scales where their metastability is critically determined by the phase size and dimensionality. Metastable states are also observed in phase transformations that are kinetically impeded on the pathway to thermodynamic equilibrium. This was illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification and gel formation, as well as combinations of these transformation processes. The phase behaviours in polymers are thus dominated by interlinks of metastable states on different length scales. This concept successfully explains many experimental observations and provides a new way to connect different aspects of polymer physics.* Written by a leading scholar and industry expert* Presents new and cutting edge material encouraging innovation and future research* Connects hot topics and leading research in one concise volume
Book Synopsis Polymer Crystallization by : Günter Reiter
Download or read book Polymer Crystallization written by Günter Reiter and published by Springer. This book was released on 2008-01-11 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: The classical view on polymer crystallization basically focused on the expla- tion of a few macroscopically observable parameters like the thickness of the resulting lamellar structure and the corresponding growth rates. However, the emerging paradigm for the description of chain crystals is too simple and cannot account for the complex non-equilibrium processes responsible for structure f- mation on various levels, ranging from the nanometer up to the millimeter scale. This complexity detected by several novel experimental results led to a renewed interest in this ”old” topic of polymer crystallization. These new ?ndings c- cern the early stages of the crystallization process, crystal formation in con?ned geometries like ultra-thin ?lms and the competition between (micro)phase s- aration and crystallization in copolymers and blends. In particular, high spatial resolution techniques such as atomic force microscopy provided deeper insight into the molecular organization of crystallizable polymers. Computer simu- tions based on microscopic processes were used to improve our understanding of how polymer crystals are nucleated and how they grow. New ideas emerged about possible multistage pathways which are followed during the formation of polymer lamellae. The importance and the consequences of the non-equilibrium character of polymer crystals got signi?cantly more attention. Links and ana- gies to growth phenomena and pattern formation in general are being developed. However, these ideas are still subject of intensive and controversial discussions.
Book Synopsis Mechanics, Simulation and Control III by : K.M. Gupta
Download or read book Mechanics, Simulation and Control III written by K.M. Gupta and published by Trans Tech Publications Ltd. This book was released on 2013-08-16 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: Selected, peer reviewed papers from the 2013 International Conference on Mechanics, Simulation and Control (ICMSC 2013), June 22-23, 2013, Kanyakumari, India
Book Synopsis Controlling the Morphology of Polymers by : Geoffrey R. Mitchell
Download or read book Controlling the Morphology of Polymers written by Geoffrey R. Mitchell and published by Springer. This book was released on 2016-09-06 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on controlling morphology of different scales for polymers. The authors explain the need for successful control of morphology to yield target macroscopic physical properties in the application of polymers to diverse areas such as engineering materials, nanodielectrics and photonic crystals. The book combines specialized chapters with an introduction to the morphology of polymers and the range of experimental techniques available to evaluate it.
Book Synopsis Process Understanding by : Ian Houson
Download or read book Process Understanding written by Ian Houson and published by John Wiley & Sons. This book was released on 2011-04-08 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Process Understanding is the underpinning knowledge that allows the manufacture of chemical entities to be carried out routinely, robustly and to the required standard of quality. This area has gained in importance over the last few years, particularly due to the recent impetus from the USA`s Food and Drug Administration. This book covers the multidisciplinary aspects required for successful process design, safety, modeling, scale-up, PAT, pilot plant implementation, plant design as well the rapidly expanding area of outsourcing. In discussing what process understanding means to different disciplines and sectors throughout a product`s life cycle, this handbook and ready reference reveals the factors important to the development and manufacture of chemicals. The book focuses on the fundamental scientific understanding necessary. for a smoother technical transfer between the disciplines, leading to more effective and effi cient process development and manufacturing. A range of case studies are used to exemplify and illustrate the main issues raised. As a result, readers will appreciate that process understanding can deliver a real competitive advantage within the pharmaceuticals and fine chemicals industry. This book serves as an aid to meeting the stringent regulations required by the relevant authorities through demonstrable understanding of the underlying science.
Book Synopsis Colloidal Self-Assembly by : Junpei Yamanaka
Download or read book Colloidal Self-Assembly written by Junpei Yamanaka and published by Springer Nature. This book was released on 2023-11-04 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: This concise book covers fundamental principles of colloidal self-assembly and overviews of basic and applied research in this field, with abundant illustrations and photographs. Experimental and computer simulation methods to study the colloidal self-assembly are demonstrated. Complementary videos "Visual Guide to Study Colloidal Self-Assembly" on the research procedures and assembly processes are available via SpringerLink to support learning. The book explains basic elements of mechanics and electromagnetism required to study the colloidal self-assembly, so that graduate students of chemistry and engineering courses can learn the contents on their own. It reviews important research topics, including the authors' works on the colloidal self-assembly of more than 30 years’ work. The principal topics include: (1) crystallization of colloidal dispersions, with the emphasis on the role of surface charges, (2) fabrication of large and high-quality colloidal crystals by applying controlled growth methods, (3) association and crystallization by depletion attraction in the presence of polymers, (4) clustering of colloidal particles, especially those in oppositely charged systems, and (5) two-dimensional colloidal crystals. Furthermore, it covers (6) applications of colloidal crystals, ranging from cosmetics to sensing materials. We also describe space experiments on colloidal self-assembly in the International Space Station. This book will interest graduate school students in colloid and polymer science, pharmaceutics, soft matter physics, material sciences, and chemical engineering courses. It will also be a useful guide for individuals in academia and industry undertaking research in this field.
Book Synopsis Structural Design and Controllable Preparation of the Function-Directed Crystalline Materials by : Maochun Hong
Download or read book Structural Design and Controllable Preparation of the Function-Directed Crystalline Materials written by Maochun Hong and published by Springer Nature. This book was released on 2023-11-21 with total page 115 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the findings of a major research program investigating structural design and controllable preparation of function-directed crystalline materials. The program was launched by the National Natural Science Foundation of China during the 11th Five-Year Plan period, which was started in October 2008 and concluded at the end of 2016. This book first summarizes the overall scientific objectives and the current state of the art of crystalline materials research in China and the international frontier. It also focuses on exploring the relationships between structures, compositions, and properties of crystalline materials and proposes new mechanisms and models for new materials exploration. In addition, it introduces a new functional-motif theory that can guide the development of crystalline materials with optical, electrical, and other composite functions and presents new research methods for the controlled synthesis and assembly of crystalline materials, and detection and characterization of functional motifs. Furthermore, practical applications for materials such as photoelectric conversion materials, nonlinear optical materials, laser and fluorescent crystal materials, and ferroelectric and microwave dielectric materials have been described. Given its scope, this book is of interest to researchers who work in crystalline materials. It also promotes the multidisciplinary collaboration among chemistry, materials science, and physics.
Book Synopsis Carbon in Earth's Interior by : Craig E. Manning
Download or read book Carbon in Earth's Interior written by Craig E. Manning and published by John Wiley & Sons. This book was released on 2020-04-03 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon in Earth's fluid envelopes - the atmosphere, biosphere, and hydrosphere, plays a fundamental role in our planet's climate system and a central role in biology, the environment, and the economy of earth system. The source and original quantity of carbon in our planet is uncertain, as are the identities and relative importance of early chemical processes associated with planetary differentiation. Numerous lines of evidence point to the early and continuing exchange of substantial carbon between Earth's surface and its interior, including diamonds, carbon-rich mantle-derived magmas, carbonate rocks in subduction zones and springs carrying deeply sourced carbon-bearing gases. Thus, there is little doubt that a substantial amount of carbon resides in our planet's interior. Yet, while we know it must be present, carbon's forms, transformations and movements at conditions relevant to the interiors of Earth and other planets remain uncertain and untapped. Volume highlights include: - Reviews key, general topics, such as carbonate minerals, the deep carbon cycle, and carbon in magmas or fluids - Describes new results at the frontiers of the field with presenting results on carbon in minerals, melts, and fluids at extreme conditions of planetary interiors - Brings together emerging insights into carbon's forms, transformations and movements through study of the dynamics, structure, stability and reactivity of carbon-based natural materials - Reviews emerging new insights into the properties of allied substances that carry carbon, into the rates of chemical and physical transformations, and into the complex interactions between moving fluids, magmas, and rocks to the interiors of Earth and other planets - Spans the various chemical redox states of carbon, from reduced hydrocarbons to zero-valent diamond and graphite to oxidized CO2 and carbonates - Captures and synthesizes the exciting results of recent, focused efforts in an emerging scientific discipline - Reports advances over the last decade that have led to a major leap forward in our understanding of carbon science - Compiles the range of methods that can be tapped tap from the deep carbon community, which includes experimentalists, first principles theorists, thermodynamic modelers and geodynamicists - Represents a reference point for future deep carbon science research Carbon in Planetary Interiors will be a valuable resource for researchers and students who study the Earth's interior. The topics of this volume are interdisciplinary, and therefore will be useful to professionals from a wide variety of fields in the Earth Sciences, such as mineral physics, petrology, geochemistry, experimentalists, first principles theorists, thermodynamics, material science, chemistry, geophysics and geodynamics.
Book Synopsis Atomistic Simulations of Glasses by : Jincheng Du
Download or read book Atomistic Simulations of Glasses written by Jincheng Du and published by John Wiley & Sons. This book was released on 2022-03-29 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Handbook of Industrial Crystallization by : Allan Myerson
Download or read book Handbook of Industrial Crystallization written by Allan Myerson and published by Butterworth-Heinemann. This book was released on 2002-01-08 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallization is an important separation and purification process used in industries ranging from bulk commodity chemicals to specialty chemicals and pharmaceuticals. In recent years, a number of environmental applications have also come to rely on crystallization in waste treatment and recycling processes.The authors provide an introduction to the field of newcomers and a reference to those involved in the various aspects of industrial crystallization. It is a complete volume covering all aspects of industrial crystallization, including material related to both fundamentals and applications. This new edition presents detailed material on crystallization of biomolecules, precipitation, impurity-crystal interactions, solubility, and design.Provides an ideal introduction for industrial crystallization newcomers Serves as a worthwhile reference to anyone involved in the fieldCovers all aspects of industrial crystallization in a single, complete volume
Download or read book Complex Plasmas written by Michael Bonitz and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 495 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides the reader with an introduction to the physics of complex plasmas, a discussion of the specific scientific and technical challenges they present and an overview of their potential technological applications. Complex plasmas differ from conventional high-temperature plasmas in several ways: they may contain additional species, including nano meter- to micrometer-sized particles, negative ions, molecules and radicals and they may exhibit strong correlations or quantum effects. This book introduces the classical and quantum mechanical approaches used to describe and simulate complex plasmas. It also covers some key experimental techniques used in the analysis of these plasmas, including calorimetric probe methods, IR absorption techniques and X-ray absorption spectroscopy. The final part of the book reviews the emerging applications of microcavity and microchannel plasmas, the synthesis and assembly of nanomaterials through plasma electrochemistry, the large-scale generation of ozone using microplasmas and novel applications of atmospheric-pressure non-thermal plasmas in dentistry. Going beyond the scope of traditional plasma texts, the presentation is very well suited for senior undergraduate, graduate students and postdoctoral researchers specializing in plasma physics.
Book Synopsis Progress in Understanding of Polymer Crystallization by : Günter Reiter
Download or read book Progress in Understanding of Polymer Crystallization written by Günter Reiter and published by Springer. This book was released on 2010-11-25 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the context of polymer crystallization there are several still open and often controversially debated questions. The present volume addresses issues such as novel general views and concepts. It presents new ideas in a connected and accessible way. The intention is thus not only to provide a summary of the present state-of-the-art to all active works but to provide an entry point to newcomer and graduate students entering the field.
