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.
Table of Contents
Modeling Techniques and Prediction of Properties. Computational Thermodynamics: From Experiments to Applications. Thermophysical Properties of Metallic Alloys from Ab Initio Methods and Applications to Thermodynamic Modeling. The Formation Volume in Rare Earth Intermetallic Systems: A Representation by Means of Atomic Physical Quantities. Role of Modeling on the Design of Alloys and Intermetallic Compounds. Metal-Ceramic Interactions in Brazing Ultra High Temperature Diboride Ceramics. Metal Surfaces in Medicine: Current Knowledge of Properties, Modeling and Biological Response. Fe-based Superconductors: Crystallochemistry, Band Structure and Phase Diagrams. Electronic and Magnetic Properties of Highly Disordered Fe-based Frank Kasper-Phases in View of First Principles Calculation and Experimental Study. Atomistic Modeling to Design Favored Compositions for the Metallic Glass Formation. Shape Memory Alloys: Constitutive Modeling and Engineering Simulations. Prediction of the Thermoelectric Properties of Half-Heusler Phases from the Density Functional Theory. Skutterudites for Thermoelectric Applications: Properties, Synthesis and Modeling.
Cristina Artini, Ph.D. Department of Chemistry and Industrial Chemistry, University of Genova, and CNR-IENI. Since June 2013: Researcher at the Department of Chemistry and Industrial Chemistry of the University of Genova. From 2010 to 2013: Researcher at National Research Council (CNR) – Institute for Energetics and Interphases, Department of Genoa, Italy. From 2004 to 2010: Post Doc Researcher at the University of Genoa.
Received Ph.D. in Chemistry at the University of Genoa on May 6th, 2004. Thesis was titled “Correlations between structure and properties with regard to the appearance of high temperature superconductivity in ruthenium based oxides,” supervised by Prof. G.A. Costa. On October 27th, 2000, received degree in Chemistry cum laude at the University of Genoa. Thesis was “Correlations between superconductivity and structure: the anti-K2NiF4 structure” supervised by Prof. G.A. Costa.
The author and co-author of 36 articles in international journals with referee, author of one invited chapter and 2 chapters in books, and has been invited to speak at several international conferences. A reviewer for international journals, such as Journal of Solid State Chemistry, Materials Chemistry and Physics, Journal of Rare Earths, Journal of Thermal Analysis and Calorimetry. Awarded in 2013 with the Certificate of Excellence in Reviewing by Journal of Solid State Chemistry. Member of the Italian Chemical Society (SCI).