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By Zi-Kui Liu,Yi Wang

This special and finished advent deals an unrivalled and in-depth knowing of the computational-based thermodynamic process and the way it may be used to lead the layout of fabrics for strong performances, integrating uncomplicated primary ideas with experimental options and useful commercial functions, to supply readers with a radical grounding within the topic. themes coated variety from the underlying thermodynamic rules, to the speculation and technique of thermodynamic facts amassing, research, modeling, and verification, with info on unfastened strength, part equilibrium, part diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors concentrate on the CALPHAD technique and first-principles calculations. in addition they offer information to be used of YPHON, a mixed-space phonon code built via the authors for polar fabrics in keeping with the supercell method. together with labored examples, case stories, and end-of-chapter difficulties, this is often an important source for college students, researchers, and practitioners in fabrics science.

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Computational Thermodynamics of Materials by Zi-Kui Liu,Yi Wang


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