Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Download or read book Phase Equilibria Phase Diagrams and Phase Transformations written by Mats Hillert and published by Cambridge University Press. This book was released on 2007-11-22 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools allow material scientists to model and analyze increasingly complicated systems to appreciate material behavior. Accurate use and interpretation however, requires a strong understanding of the thermodynamic principles that underpin phase equilibrium, transformation and state. This fully revised and updated edition covers the fundamentals of thermodynamics, with a view to modern computer applications. The theoretical basis of chemical equilibria and chemical changes is covered with an emphasis on the properties of phase diagrams. Starting with the basic principles, discussion moves to systems involving multiple phases. New chapters cover irreversible thermodynamics, extremum principles, and the thermodynamics of surfaces and interfaces. Theoretical descriptions of equilibrium conditions, the state of systems at equilibrium and the changes as equilibrium is reached, are all demonstrated graphically. With illustrative examples - many computer calculated - and worked examples, this textbook is an valuable resource for advanced undergraduates and graduate students in materials science and engineering.
Download or read book Computational Thermodynamics written by H. L. Lukas and published by . This book was released on 2007-07-12 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is the first introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.
Download or read book Phase Transitions in Materials written by Brent Fultz and published by Cambridge University Press. This book was released on 2014-08-14 with total page 589 pages. Available in PDF, EPUB and Kindle. Book excerpt: A clear, concise and rigorous textbook covering phase transitions in the context of advances in electronic structure and statistical mechanics.
Download or read book Basics of Thermodynamics and Phase Transitions in Complex Intermetallics written by Esther Belin-Ferr and published by World Scientific. This book was released on 2008 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Complex metal alloys (CMAs) comprise a huge group of largely unknown alloys and compounds, where many phases are formed with crystal structures based on giant unit cells containing atom clusters, ranging from tens of to more than thousand atoms per unit cell. In these phases, for many phenomena, the physical length scales are substantially smaller than the unit-cell dimension. Hence, these materials offer unique combinations of properties which are mutually exclusive in conventional materials, such as metallic electric conductivity combined with low thermal conductivity, good light absorption with high-temperature stability, high metallic hardness with reduced wetting by liquids, etc.This book is the first of a series of books issued yearly as a deliverable to the European Community of the School established within the European Network of Excellence CMA. Written by reputed experts in the fields of metal physics, surface physics, surface chemistry, metallurgy, and process engineering, this book brings together expertise found inside as well as outside the network to provide a comprehensive overview of the current state of knowledge in CMAs.
Download or read book Phase Diagrams and Thermodynamic Modeling of Solutions written by Arthur D. Pelton and published by Academic Press. This book was released on 2018-09-19 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase Diagrams and Thermodynamic Modeling of Solutions provides readers with an understanding of thermodynamics and phase equilibria that is required to make full and efficient use of these tools. The book systematically discusses phase diagrams of all types, the thermodynamics behind them, their calculations from thermodynamic databases, and the structural models of solutions used in the development of these databases. Featuring examples from a wide range of systems including metals, salts, ceramics, refractories, and concentrated aqueous solutions, Phase Diagrams and Thermodynamic Modeling of Solutions is a vital resource for researchers and developers in materials science, metallurgy, combustion and energy, corrosion engineering, environmental engineering, geology, glass technology, nuclear engineering, and other fields of inorganic chemical and materials science and engineering. Additionally, experts involved in developing thermodynamic databases will find a comprehensive reference text of current solution models. - Presents a rigorous and complete development of thermodynamics for readers who already have a basic understanding of chemical thermodynamics - Provides an in-depth understanding of phase equilibria - Includes information that can be used as a text for graduate courses on thermodynamics and phase diagrams, or on solution modeling - Covers several types of phase diagrams (paraequilibrium, solidus projections, first-melting projections, Scheil diagrams, enthalpy diagrams), and more
Download or read book Phase Transformations in Metals and Alloys Third Edition Revised Reprint written by David A. Porter and published by CRC Press. This book was released on 1992-09-10 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the decade since the first edition of this popular text was published, the metallurgical field has undergone rapid developments in many sectors. Nonetheless, the underlying principles governing these developments remain the same. A textbook that presents these advances within the context of the fundamentals is greatly needed by instructors in the field Phase Transformations in Metals and Alloys, Second Edition maintains the simplicity that undergraduate instructors and students have come to appreciate while updating and expanding coverage of recently developed methods and materials. The book is effectively divided into two parts. The beginning chapters contain the background material necessary for understanding phase transformations - thermodynamics, kinetics, diffusion theory and the structure and properties of interfaces. The following chapters deal with specific transformations - solidification, diffusional transformation in solids and diffusionless transformation. Case studies of engineering alloys are incorporated to provide a link between theory and practice. New additions include an extended list of further reading at the end of each chapter and a section containing complete solutions to all exercises in the book Designed for final year undergraduate and postgraduate students of metallurgy, materials science, or engineering materials, this is an ideal textbook for both students and instructors.
Download or read book Methods for Phase Diagram Determination written by Ji-Cheng Zhao and published by Elsevier. This book was released on 2011-05-05 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are "maps" materials scientists often use to design new materials. They define what compounds and solutions are formed and their respective compositions and amounts when several elements are mixed together under a certain temperature and pressure. This monograph is the most comprehensive reference book on experimental methods for phase diagram determination. It covers a wide range of methods that have been used to determine phase diagrams of metals, ceramics, slags, and hydrides.* Extensive discussion on methodologies of experimental measurements and data assessments * Written by experts around the world, covering both traditional and combinatorial methodologies* A must-read for experimental measurements of phase diagrams
Download or read book The Thermodynamics of Phase and Reaction Equilibria written by Ismail Tosun and published by Newnes. This book was released on 2012-10-17 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides you with a sound foundation for understanding abstract concepts (eg physical properties such as fugacity, etc or chemical processes, ie distillation, etc) of phase and reaction equilibria and shows you how to apply these concepts to solve practical problems using numerous and clear examples.
Download or read book Computational Materials Engineering written by Koenraad George Frans Janssens and published by Academic Press. This book was released on 2010-07-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use. - Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material - Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling
Download or read book Computational Thermochemistry written by Karl K. Irikura and published by . This book was released on 1998 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters for molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR
Download or read book Phase Transformations in Steels written by Elena Pereloma and published by Elsevier. This book was released on 2012-05-11 with total page 673 pages. Available in PDF, EPUB and Kindle. Book excerpt: The processing-microstructure-property relationships in steels continue to present challenges to researchers because of the complexity of phase transformation reactions and the wide spectrum of microstructures and properties achievable. This major two-volume work summarises the current state of research on phase transformations in steels and its implications for the emergence of new steels with enhanced engineering properties.Volume 2 reviews current research on diffusionless transformations and phase transformations in high strength steels, as well as advances in modelling and analytical techniques which underpin this research. Chapters in part one discuss the crystallography and kinetics of martensite transformations, the morphology, substructure and tempering of martensite as well as shape memory in ferrous alloys. Part two summarises research on phase transformations in high strength low alloy (HSLA) steels, transformation induced plasticity (TRIP)-assisted multiphase steels, quenched and partitioned steels, advanced nanostructured bainitic steels, high manganese twinning induced plasticity (TWIP) and maraging steels. The final two parts of the book review advances in modelling and the use of advanced analytical techniques to improve our understanding of phase transformations in steels.With its distinguished editors and distinguished international team of contributors, the two volumes of Phase transformations in steels is a standard reference for all those researching the properties of steel and developing new steels in such areas as automotive engineering, oil and gas and energy production. - Alongside its companion volume, this major two-volume work summarises the current state of research on phase transformations in steels - Reviews research on diffusionless transformations and phase transformations in high strength steels - Examines advances in modelling and the use of advanced analytical techniques to improve understanding of phase transformations in steels
Download or read book CALPHAD Calculation of Phase Diagrams A Comprehensive Guide written by N. Saunders and published by Elsevier. This book was released on 1998-06-09 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials.Approaches which combine both thermodynamic and kinetic models to interpret non-equilibrium phase transformations are also reviewed.
Download or read book Microcanonical Thermodynamics written by Dieter H. E. Gross and published by World Scientific. This book was released on 2001 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: Boltzmann's formula S = In(W(E) defines the microcanonical ensemble. The usual textbooks on statistical mechanics start with the microensemble but rather quickly switch to the canonical ensemble introduced by Gibbs. This has the main advantage of easier analytical calculations, but there is a price to pay -- for example, phase transitions can only be defined in the thermodynamic limit of infinite system size. The question how phase transitions show up from systems with, say, 100 particles with an increasing number towards the bulk can only be answered when one finds a way to define and classify phase transitions in small systems. This is all possible within Boltzmann's original definition of the microcanonical ensemble. Starting from Boltzmann's formula, the book formulates the microcanonical thermodynamics entirely within the frame of mechanics. This way the thermodynamic limit is avoided and the formalism applies to small as well to other nonextensive systems like gravitational ones. Phasetransitions of first order, continuous transitions, critical lines and multicritical points can be unambiguously defined by the curvature of the entropy S(E, N). Special attention is given to the fragmentation of nuclei and atomic clusters as a peculiar phase transition of small systems controlled, among others, by angular momentum. The dependence of the liquid-gas transition of small atomic clusters under prescribed pressure is treated. Thus the analogue to the bulk transition can be studied. New insights into the many facets of the many-body physics of the critical point are presented. The book also describes the microcanonical statistics of the collapse of a self-gravitating system under large angular momentum.
Download or read book Directions In Condensed Matter Physics Memorial Volume In Honor Of Shang keng Ma written by Geoffrey Grinstein and published by World Scientific. This book was released on 1986-08-01 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume collects several in-depth articles giving lucid discussions on new developments in statistical and condensed matter physics. Many, though not all, contributors had been in touch with the late S-K Ma. Written by some of the world's experts and originators of new ideas in the field, this book is a must for all researchers in theoretical physics. Most of the articles should be accessible to diligent graduate students and experienced readers will gain from the wealth of materials contained herein.
Download or read book Computational Materials Science written by A.M. Ovrutsky and published by Elsevier. This book was released on 2013-11-19 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. - Valuable reference book, but also helpful as a supplement to courses - Computer programs available to supplement examples - Presents several new methods of computational materials science and clearly summarizes previous methods and results
Download or read book Computational Thermo Fluid Dynamics written by Petr A. Nikrityuk and published by John Wiley & Sons. This book was released on 2011-09-19 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combining previously unconnected computational methods, this monograph discusses the latest basic schemes and algorithms for the solution of fluid, heat and mass transfer problems coupled with electrodynamics. It presents the necessary mathematical background of computational thermo-fluid dynamics, the numerical implementation and the application to real-world problems. Particular emphasis is placed throughout on the use of electromagnetic fields to control the heat, mass and fluid flows in melts and on phase change phenomena during the solidification of pure materials and binary alloys. However, the book provides much more than formalisms and algorithms; it also stresses the importance of good, feasible and workable models to understand complex systems, and develops these in detail. Bringing computational fluid dynamics, thermodynamics and electrodynamics together, this is a useful source for materials scientists, PhD students, solid state physicists, process engineers and mechanical engineers, as well as lecturers in mechanical engineering.
