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Computational Thermodynamics Of Materials
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Book Synopsis Computational Thermodynamics of Materials by : Zi-Kui Liu
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: This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of thermodynamic data collecting, analysis, modeling, and verification, with details on free energy, phase equilibrium, phase diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors focus on the CALPHAD method and first-principles calculations. They also provide guidance for use of YPHON, a mixed-space phonon code developed by the authors for polar materials based on the supercell approach. Including worked examples, case studies, and end-of-chapter problems, this is an essential resource for students, researchers, and practitioners in materials science.
Book Synopsis Computational Thermodynamics by : Hans Lukas
Download or read book Computational Thermodynamics written by Hans 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.
Book Synopsis Computational Thermodynamics of Materials by : Zi-Kui Liu
Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by . This book was released on 2016 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes worked examples, case studies, and end-of-chapter problems, this unique book offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances. --
Book Synopsis Computational Materials Engineering by : Koenraad George Frans Janssens
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 360 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
Book Synopsis Chemical Thermodynamics in Materials Science by : Taishi Matsushita
Download or read book Chemical Thermodynamics in Materials Science written by Taishi Matsushita and published by Springer. This book was released on 2018-07-31 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook covers chemical thermodynamics in materials science from basic to advanced level, especially for iron and steel making processes. To improve a process by applying knowledge of thermodynamics or to assess the calculation results of thermodynamic software, an accurate and systematic understanding of thermodynamics is required. For that purpose, books from which one can learn thermodynamics from the basic to the advanced level are needed, but such books are rarely published. This book bridges the gap between the basics, which are treated in general thermodynamic books, and their application, which are only partially dealt with in most specialized books on a specific field. This textbook can be used to teach the basics of chemical thermodynamics and its applications to beginners. The basic part of the book is written to help learners acquire robust applied skills in an easy-to-understand manner, with in-depth explanations and schematic diagrams included. The same book can be used by advanced learners as well. Those higher-level readers such as post-graduate students and researchers may refer to the basic part of the book to get down to the basic concepts of chemical thermodynamics or to confirm the basic concepts. Abundant pages are also devoted to applications designed to present more advanced applied skills grounded in a deep understanding of the basics. The book contains some 50 examples and their solutions so that readers can learn through self-study.
Book Synopsis Computational Thermodynamics of Materials by : Zi-Kui Liu
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.
Book Synopsis Introduction to Computational Materials Science by : Richard LeSar
Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by Cambridge University Press. This book was released on 2013-03-28 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
Book Synopsis Applications of Thermodynamics in the Synthesis and Processing of Materials by : Philip Nash
Download or read book Applications of Thermodynamics in the Synthesis and Processing of Materials written by Philip Nash and published by Minerals, Metals, & Materials Society. This book was released on 1995 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials synthesis and processing has been identified as a key technology for the continued, rapid development of society. This proceedings volume focuses on the current ideas and techniques for the application of thermodynamics. The continued development of computational thermodynamics software and databases is prompting the innovative application of thermodynamics in the synthesis and processing of materials.
Book Synopsis Thermodynamics of Microstructures by : Taiji Nishizawa
Download or read book Thermodynamics of Microstructures written by Taiji Nishizawa and published by ASM International. This book was released on 2008-01-01 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Thermodynamics in Materials Science by : Robert DeHoff
Download or read book Thermodynamics in Materials Science written by Robert DeHoff and published by CRC Press. This book was released on 2006-03-13 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermodynamics in Materials Science, Second Edition is a clear presentation of how thermodynamic data is used to predict the behavior of a wide range of materials, a crucial component in the decision-making process for many materials science and engineering applications. This primary textbook accentuates the integration of principles, strategies, a
Book Synopsis Computational Thermo-Fluid Dynamics by : Petr A. Nikrityuk
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.
Book Synopsis Chemical Thermodynamics of Materials by : Svein Stølen
Download or read book Chemical Thermodynamics of Materials written by Svein Stølen and published by John Wiley & Sons. This book was released on 2004-06-25 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive introduction, examining both macroscopic and microscopic aspects of the subject, the book applies the theory of thermodynamics to a broad range of materials; from metals, ceramics and other inorganic materials to geological materials. Focusing on materials rather than the underlying mathematical concepts of the subject, this book will be ideal for the non-specialist requiring an introduction to the energetics and stability of materials. Macroscopic thermodynamic properties are linked to the underlying miscroscopic nature of the materials and trends in important properties are discussed. A unique approach covering both macroscopic and microscopic aspects of the subject Authors have worldwide reputations in this area Fills a gap in the market by featuring a wide range of real up-to-date examples and covering a large amount of materials
Book Synopsis CALPHAD and Alloy Thermodynamics by : Patrice E. A. Turchi
Download or read book CALPHAD and Alloy Thermodynamics written by Patrice E. A. Turchi and published by Minerals, Metals, & Materials Society. This book was released on 2002 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: These proceedings emphasize all theoretical aspects of computational thermodynamics and kinetics and their impact on the science of alloys and materials design. The book offers an assesment of the CALPHAD (Calculation of Phase Diagrams) approach pioneered by Larry Kaufman.
Book Synopsis Computational Thermodynamics and Phase Transformations by : Corbett Battaile
Download or read book Computational Thermodynamics and Phase Transformations written by Corbett Battaile and published by . This book was released on 2008 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Materials System Design by : Dongwon Shin
Download or read book Computational Materials System Design written by Dongwon Shin and published by Springer. This book was released on 2017-11-10 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.
Book Synopsis Thermitic Thermodynamics by : Anthony Peter Gordon Shaw
Download or read book Thermitic Thermodynamics written by Anthony Peter Gordon Shaw and published by CRC Press. This book was released on 2020-05-13 with total page 1666 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermites, which are generally considered to be reactive mixtures of powdered metals and metal oxides, are an important subset of energetic materials. The underlying thermodynamic properties of a given mixture dictate whether it may undergo a self-sustaining reaction, liberating heat in the process. Thermodynamic information in the existing scientific literature regarding thermitic combinations is scattered and incomplete. Currently, a comprehensive overview of this nature would be of great use to those working in the areas of pyrotechnics, pyrometallurgy, high-temperature chemistry, and materials science. Thermitic Thermodynamics solves this problem by describing the results of calculations on over 800 combinations of metal, metalloid, and metal oxide reactants. Other features include: A first-of-its-kind adiabatic survey of binary thermitic reactions Provides an overview of key trends in exothermic metal-metal oxide reactivity Describes the role of non-oxide product formation in thermitic systems Explains how to interpret the results of thermochemical calculations effectively An invaluable resource, this book provides an accessible introduction for students and is also an enduring guide for professionals.
Book Synopsis Integrated Computational Materials Engineering by : National Research Council
Download or read book Integrated Computational Materials Engineering written by National Research Council and published by National Academies Press. This book was released on 2008-10-24 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrated computational materials engineering (ICME) is an emerging discipline that can accelerate materials development and unify design and manufacturing. Developing ICME is a grand challenge that could provide significant economic benefit. To help develop a strategy for development of this new technology area, DOE and DoD asked the NRC to explore its benefits and promises, including the benefits of a comprehensive ICME capability; to establish a strategy for development and maintenance of an ICME infrastructure, and to make recommendations about how best to meet these opportunities. This book provides a vision for ICME, a review of case studies and lessons learned, an analysis of technological barriers, and an evaluation of ways to overcome cultural and organizational challenges to develop the discipline.
