This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of thermodynamic data collecting, analysis, modeling, and verification, with details on free energy, phase equilibrium, phase diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors focus on the CALPHAD method and first-principles calculations. They also provide guidance for use of YPHON, a mixed-space phonon code developed by the authors for polar materials based on the supercell approach. Including worked examples, case studies, and end-of-chapter problems, this is an essential resource for students, researchers, and practitioners in materials science.
This book provides a systematic and comprehensive interdisciplinary overview of ductile mode cutting of brittle materials, covering a range of topics from the fundamental physics to engineering practices. Discussing the machining mechanics and material properties, it explains the fundamental mechanism of ductile-to-brittle transition in the cutting of brittle materials. It also presents theoretical modeling and molecular dynamic simulation to demonstrate that ductile mode cutting can be achieved under certain conditions, as well as extensive experimental studies that produced smooth and damage-free surfaces on different materials, such as silicon, glass, tungsten carbide and calcium fluoride. Lastly, it explores how the ductile mode cutting performance and machinability of brittle materials can be further improved by hybrid machining processes like ultrasonic vibration and thermal-assisted cutting technologies in order to meet industry demands.
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