Download or read book Molecular Dynamics Simulations of Homogeneous Nucleation written by Jan Julin and published by . This book was released on 2011 with total page 39 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation Studies of Homogeneous Nucleation Small Cluster Thermodynamics and Free Jet Expansions written by John Dana Honeycutt and published by . This book was released on 1986 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The British Chess Magazine Volume 16 written by Anonymous and published by Legare Street Press. This book was released on 2022-10-27 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work has been selected by scholars as being culturally important, and is part of the knowledge base of civilization as we know it. This work is in the "public domain in the United States of America, and possibly other nations. Within the United States, you may freely copy and distribute this work, as no entity (individual or corporate) has a copyright on the body of the work. Scholars believe, and we concur, that this work is important enough to be preserved, reproduced, and made generally available to the public. We appreciate your support of the preservation process, and thank you for being an important part of keeping this knowledge alive and relevant.
Download or read book Predicting Homogeneous Nucleation Rate from Atomistic Simulations written by Bingqing Cheng and published by . This book was released on 2019 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mots-clés de l'auteur: nucleation ; phase transition ; interface ; free energy methods ; machine learning potential ; molecular dynamics.
Download or read book Classical Nucleation Theory in Multicomponent Systems written by Hanna Vehkamäki and published by Springer Science & Business Media. This book was released on 2006-03-22 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nucleation is the initial step of every first-order phase transition, and most phase transitions encountered both in everyday life and industrial processes are of the first-order. Using an elegant classical theory based on thermodynamics and kinetics, this book provides a fully detailed picture of multi-component nucleation. As many of the issues concerning multi-component nucleation theory have been solved during the last 10-15 years, it also thoroughly integrates both fundamental theory with recent advances presented in the literature. Classical Nucleation Theory in Multicomponent Systems serves as a textbook for advanced thermodynamics courses, as well as an important reference for researchers in the field. The main topics covered are: the basic relevant thermodynamics and statistical physics; modelling a molecular cluster as a spherical liquid droplet; predicting the size and composition of the nucleating critical clusters; kinetic models for cluster growth and decay; calculating nucleation rates; and a full derivation and application of nucleation theorems that can be used to extract microscopic cluster properties from nucleation rate measurements. The assumptions and approximations needed to build the classical theory are described in detail, and the reasons why the theory fails in certain cases are explained. Relevant problems are presented at the end of each chapter.
Download or read book The Validity of Classical Nucleation Theory and Its Application to Dislocation Nucleation written by Seunghwa Ryu and published by Stanford University. This book was released on 2011 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nucleation has been the subject of intense research because it plays an important role in the dynamics of most first-order phase transitions. The standard theory to describe the nucleation phenomena is the classical nucleation theory (CNT) because it correctly captures the qualitative features of the nucleation process. However potential problems with CNT have been suggested by previous studies. We systematically test the individual components of CNT by computer simulations of the Ising model and find that it accurately predicts the nucleation rate if the correct droplet free energy computed by umbrella sampling is provided as input. This validates the fundamental assumption of CNT that the system can be coarse grained into a one dimensional Markov chain with the largest droplet size as the reaction coordinate. Employing similar simulation techniques, we study the dislocation nucleation which is essential to our understanding of plastic deformation, ductility, and mechanical strength of crystalline materials. We show that dislocation nucleation rates can be accurately predicted over a wide range of conditions using CNT with the activation free energy determined by umbrella sampling. Our data reveal very large activation entropies, which contribute a multiplicative factor of many orders of magnitude to the nucleation rate. The activation entropy at constant strain is caused by thermal expansion, with negligible contribution from the vibrational entropy. The activation entropy at constant stress is significantly larger than that at constant strain, as a result of thermal softening. The large activation entropies are caused by anharmonic effects, showing the limitations of the harmonic approximation widely used for rate estimation in solids. Similar behaviors are expected to occur in other nucleation processes in solids.
Download or read book Nucleation of Water written by Ari Laaksonen and published by Elsevier. This book was released on 2021-11-25 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nucleation of Water: From Fundamental Science to Atmospheric and Additional Applications provides a comprehensive accounting of the current state-of-the-art regarding the nucleation of water. It covers vapor-liquid, liquid-vapor, liquid-ice and vapor-ice transitions and describes basic kinetic and thermodynamic concepts in a manner understandable to researchers working on specific applications. The main focus of the book lies in atmospheric phenomena, but it also describes engineering and biological applications. Bubble nucleation, although not of major atmospheric relevance, is included for completeness. This book presents a single, go-to resource that will help readers understand the breadth and depth of nucleation, both in theory and in real-world examples. Offers a single, comprehensive work on water nucleation, including cutting- edge research on ice, cloud and bubble nucleation Written primarily for atmospheric scientists, but it also presents the theories in such a way that researchers in other disciplines will find it useful Written by one of the world’s foremost experts on ice nucleation
Download or read book Advances in Computer Simulation Studies on Crystal Growth written by Hiroki Nada and published by MDPI. This book was released on 2018-11-16 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Advances in Computer Simulation Studies on Crystal Growth" that was published in Crystals
Download or read book Nucleation Theory and Applications written by Jürn W. P. Schmelzer and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of recent developments in the field of first-order phase transitions, which may be considered a continuation of the previous work 'Aggregation Phenomena in Complex Systems', covering work done and discussed since then. Each chapter features a different aspect of the field written by international specialists, and covers such topics as nucleation and crystallization kinetic of silicate glasses, nucleation in concentration gradients, the determination of coefficients of emission of nucleation theory, diamonds from vitreous carbon.
Download or read book Mechanistic Studies of Nucleation from Solution written by Brandon C. Knott and published by . This book was released on 2012 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular mechanism by which these compounds form at conditions relevant to industry and nature remains a mystery. To understand the mechanism of methane hydrate nucleation from supersaturated aqueous solutions, we perform molecular dynamics (MD) simulations at controlled and realistic supersaturation. Utilizing direct MD results and classical nucleation theory (CNT), we find that critical nuclei are extremely large and that homogeneous nucleation rates are extremely slow. Our findings suggest that nucleation of methane hydrates at these realistic conditions cannot occur by a homogeneous mechanism.
Download or read book Kinetics of Materials written by Robert W. Balluffi and published by John Wiley & Sons. This book was released on 2005-12-16 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: A classroom-tested textbook providing a fundamental understandingof basic kinetic processes in materials This textbook, reflecting the hands-on teaching experience of itsthree authors, evolved from Massachusetts Institute of Technology'sfirst-year graduate curriculum in the Department of MaterialsScience and Engineering. It discusses key topics collectivelyrepresenting the basic kinetic processes that cause changes in thesize, shape, composition, and atomistic structure of materials.Readers gain a deeper understanding of these kinetic processes andof the properties and applications of materials. Topics are introduced in a logical order, enabling students todevelop a solid foundation before advancing to more sophisticatedtopics. Kinetics of Materials begins with diffusion, offering adescription of the elementary manner in which atoms and moleculesmove around in solids and liquids. Next, the more complex motion ofdislocations and interfaces is addressed. Finally, still morecomplex kinetic phenomena, such as morphological evolution andphase transformations, are treated. Throughout the textbook, readers are instilled with an appreciationof the subject's analytic foundations and, in many cases, theapproximations commonly used in the field. The authors offer manyextensive derivations of important results to help illuminate theirorigins. While the principal focus is on kinetic phenomena incrystalline materials, select phenomena in noncrystalline materialsare also discussed. In many cases, the principles involved apply toall materials. Exercises with accompanying solutions are provided throughoutKinetics of Materials, enabling readers to put their newfoundknowledge into practice. In addition, bibliographies are offeredwith each chapter, helping readers to investigate specializedtopics in greater detail. Several appendices presenting importantbackground material are also included. With its unique range of topics, progressive structure, andextensive exercises, this classroom-tested textbook provides anenriching learning experience for first-year graduate students.
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 Phase Stability in Metals and Alloys written by Battelle Memorial Institute and published by . This book was released on 1967 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nano droplets at Birth written by Jan Wedekind and published by Cuvillier Verlag. This book was released on 2006 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulations written by Greg Morrow and published by . This book was released on 2009 with total page 76 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applied Nanoindentation in Advanced Materials written by Atul Tiwari and published by John Wiley & Sons. This book was released on 2017-10-30 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research in the area of nanoindentation has gained significant momentum in recent years, but there are very few books currently available which can educate researchers on the application aspects of this technique in various areas of materials science. Applied Nanoindentation in Advanced Materials addresses this need and is a comprehensive, self-contained reference covering applied aspects of nanoindentation in advanced materials. With contributions from leading researchers in the field, this book is divided into three parts. Part one covers innovations and analysis, and parts two and three examine the application and evaluation of soft and ceramic-like materials respectively. Key features: A one stop solution for scholars and researchers to learn applied aspects of nanoindentation Contains contributions from leading researchers in the field Includes the analysis of key properties that can be studied using the nanoindentation technique Covers recent innovations Includes worked examples Applied Nanoindentation in Advanced Materials is an ideal reference for researchers and practitioners working in the areas of nanotechnology and nanomechanics, and is also a useful source of information for graduate students in mechanical and materials engineering, and chemistry. This book also contains a wealth of information for scientists and engineers interested in mathematical modelling and simulations related to nanoindentation testing and analysis.
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.
