Computational Thermodynamics Of Materials
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Computational Thermodynamics of Materials
Author: Zi-Kui Liu
language: en
Publisher: Cambridge University Press
Release Date: 2016-06-30
Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Chemical Thermodynamics in Materials Science
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.
Computational Materials Engineering
Author: Koenraad George Frans Janssens
language: en
Publisher: Academic Press
Release Date: 2010-07-26
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