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Computational Thermodynamics The Calphad Method Synopsis

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 an introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this 2007 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.

Computational Thermodynamics The Calphad Method Press Reviews

Lukas (U. Stuttgart emeritus) and co-authors Sundman (Paul Sabatier U.) and independent scientist Fries provide the first introductory guide to this method of computation that combines data from thermodynamics, phase diagrams, and atomistic properties such as magnetism into a unified and consistent model. They introduce the science and art of computational thermodynamics and the past and present of the Calphad technique, the scientific basis of the technique (including thermodynamics, crystallography, equilibrium calculations and optimization methods), first principles and thermodynamic properties, experimental data needed for optimization, models for the Gibbs energy element, assessment methodology, optimization tools, and thermodynamic databases. They also offer a series of case studies, including a complete assessment of the Cu-Mg system and a complete binary system (Ca-Ng) and provide a list of websites along with comprehensive references. --Book News

Book Information

ISBN: 9780521868112
Publication date: 12th July 2007
Author: Hans (Max-Planck Institute, Stuttgart) Lukas, Suzana G. (SGF Scientific Consultancy) Fries, Bo (Royal Institute of Tec Sundman
Publisher: Cambridge University Press
Format: Hardback
Pagination: 324 pages
Categories: Engineering thermodynamics, 3D graphics & modelling,

About Hans (Max-Planck Institute, Stuttgart) Lukas, Suzana G. (SGF Scientific Consultancy) Fries, Bo (Royal Institute of Tec Sundman

Hans Leo Lukas received his PhD from the Max-Planck Institute of Metals Research in 1960, he continued his research here from 1964 until he retired in 1995. Among numerous responsibilities over the years, he was co-editor of the Calphad Journal from 1979 until 2003. Suzana G. Fries received her PhD in Science from the Physics Institute at the Universidade Federal de Rio Grande do Sol in 1985. Following professorships and research at several universities, she is currently a freelance consultant. Bo Sundman received his PhD from the Royal Institute of Technology (KTH) in 1981. He is currently a professor for the CIRIMAT and ENSIACET groups at the ...

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