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

By Zi-Kui Liu,Yi Wang

ISBN-10: 0521198968

ISBN-13: 9780521198967

This precise and entire advent bargains an unrivalled and in-depth realizing of the computational-based thermodynamic method and the way it may be used to lead the layout of fabrics for powerful performances, integrating uncomplicated primary innovations with experimental suggestions and functional commercial functions, to supply readers with a radical grounding within the topic. themes coated diversity from the underlying thermodynamic rules, to the speculation and technique of thermodynamic facts accumulating, research, modeling, and verification, with information on unfastened power, section equilibrium, section diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors specialize in the CALPHAD process and first-principles calculations. in addition they offer assistance to be used of YPHON, a mixed-space phonon code built by means of the authors for polar fabrics according to the supercell procedure. together with labored examples, case experiences, and end-of-chapter difficulties, this is often a necessary source for college kids, researchers, and practitioners in fabrics science.

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

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