part PART 1: MODELING TECHNIQUES AND PREDICTION OF PROPERTIES -- chapter 1 1: Computational Thermodynamics: From Experiments to Applications -- chapter 1 2: Thermophysical Properties of Metallic Alloys from Ab Initio Methods and Applications to Thermodynamic Modeling -- chapter 1 3: The Formation Volume in Rare Earth Intermetallic Systems: A Representation by Means of Atomic Physical Quantities -- part PART 2: ROLE OF MODELING ON THE DESIGN OF ALLOYS AND INTERMETALLIC COMPOUNDS -- chapter 2 1: Metal-Ceramic Interactions in Brazing Ultra High Temperature Diboride Ceramics -- chapter 2 2: Metal Surfaces in Medicine: Current Knowledge of Properties, Modeling and Biological Response -- chapter 2 3: Fe-based Superconductors: Crystallochemistry, Band Structure and Phase Diagrams -- chapter 2 4: Electronic and Magnetic Properties of Highly Disordered Fe-based Frank Kasper-Phases in View of First Principles Calculation and Experimental Study -- chapter 2 5: Atomistic Modeling to Design Favoured Compositions for the Metallic Glass Formation / J.B. Liu, J.H. Li and B.X. Liu -- chapter 2 6: Shape Memory Alloys: Constitutive Modeling and Engineering Simulations / G. Scalet -- chapter 2 7: Prediction of the Thermoelectric Properties of Half-Heusler Phases from the Density Functional Theory / V.V. Romaka, P.F. Rogl, R. Carlini and C. Fanciulli -- chapter 2 8: Skutterudites for Thermoelectric Applications: Properties, Synthesis and Modeling / R. Carlini, C. Fanciulli, P. Boulet, M.C. Record, V.V. Romaka.
This book focuses on the role of modeling in the design of alloys and intermetallic compounds. It includes an introduction to the most important and most used modeling techniques, such as CALPHAD and ab-initio methods, as well as a section devoted to the latest developments in applications of alloys. The book emphasizes the correlation between modeling and technological developments while discussing topics such as wettability of Ultra High Temperature Ceramics by metals, active brazing of diamonds to metals in cutting tools, surface issues in medicine, novel Fe-based superconductors, metallic glasses, high entropy alloys, and thermoelectric materials.--Provided by publisher..