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

By Zi-Kui Liu,Yi Wang

This designated and complete creation deals an unrivalled and in-depth knowing of the computational-based thermodynamic method and the way it may be used to steer the layout of fabrics for powerful performances, integrating easy primary innovations with experimental concepts and functional commercial purposes, to supply readers with a radical grounding within the topic. issues lined variety from the underlying thermodynamic rules, to the idea and method of thermodynamic info amassing, research, modeling, and verification, with info on unfastened strength, section equilibrium, section diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors specialise in the CALPHAD technique and first-principles calculations. additionally they offer assistance to be used of YPHON, a mixed-space phonon code constructed by way of the authors for polar fabrics in accordance with the supercell technique. together with labored examples, case reviews, and end-of-chapter difficulties, this is often an important source for college kids, researchers, and practitioners in fabrics science.

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