Phase Transformations in Multicomponent Melts

The systematic exploration of thermodynamic properties of molten metals and the physical processes during melt solidification provide the basis to develop proper modeling tools for computer assisted materials design to optimize casting processes, production routes and even find novel and innovative materials. This handbook concentrates on multicomponent alloys because most of the metallic materials in daily use are composed of several elements. It covers important aspects from fundamentals to applications:
– Thermodynamics,
– Microscopic and Macroscopic Dynamics,
– Nd–Fe based Alloys,
– Solidification and Simulation.
The text provides a vital understanding of melt properties and solidification processes, treating all simulation techniques for continuous and discrete systems, such as molecular dynamics on an atomic scale and sharp interface and phase field modeling on a mesoscopic scale. This is a complete and detailed picture of complex simulation of metallic alloy melts and their solidification behaviour for materials scientists, solid state physicists and chemists, and those working in the metal processing industry.
The reports given in the handbook describe scientific results of a priority program (DFG SPP1120) funded by the Deutsche Forschungsgemeinschaft over a period of six years.


Spis treści:
Foreword.
Preface.
List of Contributors.
Part One: Thermodynamics.
1. Phase Formation in Multicomponent Monotectic Al–based Alloys (Joachim Gröbner, Djordje Mirković, and Rainer Schmid–Fetzer).
1.1 Introduction.
1.2 Experimental Methods.
1.3 Systematic Classification of Ternary Monotectic Phase Diagrams.
1.4 Selected Ternary Monotectic Alloy Systems.
1.5 Quaternary Monotectic Al–Bi–Cu–Sn System.
1.6 Conclusion.
2. Liquid–Liquid Interfacial Tension in Multicomponent Immiscible Al–based All oys (Walter Hoyer and Ivan G. Kaban).
2.1 Introduction.
2.2 Measurement Technique.
2.3 Experimental Details.
2.4 Results.
2.5 Discussion.
2.6 Summary.
3. Monotectic Growth Morphologies and Their Transitions (Lorenz Ratke, Anja Müller, Martin Seifert, and Galina Kasperovich).
3.1 Introduction.
3.2 Experimental Procedures.
3.3 Experimental Results.
3.4 Discussion.
3.5 Outlook.
4. Thermal Expansion and Surface Tension of Multicomponent Alloys (Jürgen Brillo and Ivan Egry).
4.1 Introduction.
4.2 General.
4.3 Results.
4.4 Conclusion and Summary.
5. Measurement of the Solid–Liquid Interface Energy in Ternary Alloy Systems (Annemarie Bulla, Emir Subasic, Ralf Berger, Andreas Bührig–Polaczek, and Andreas Ludwig).
5.1 Introduction.
5.2 Experimental Procedure.
5.3 Evaluation of the Local Curvature of the Grain Boundary Grooves.
5.4 Results and Discussion.
5.5 Sumamry and Conclusions.
6. Phase Equilibria of Nanoscale Metals and Alloys (Gerhard Wilde, Peter Bunzel, Harald Rösner, and Jörg Weissmüller).
6.1 Introduction.
6.2 Phase Stability and Phase Transformations in Nanoscale Systems.
6.3 Summary.
Part Two: Microscopic And Macroscopic Dynamics.
7. Melt Structure and Atomic Diffusion in Multicomponent Metallic Melts (Dirk Holland–Moritz, Oliver Heinen, Suresh Mavila Chathoth, Anja Ines Pommrich, Sebastian Stüber, Thomas Voigtmann, and Andreas Meyer).
7.1 Introduction.
7.2 Experimental Details.
7.3 Results and Discussion.
7.4 Conclusions.
8. Diffusion in Multicomponent Metallic Melts Near the Melting Temperature (Axel Griesche, Michael–Peter Macht, and Günter Frohberg).
8.1 Introduction.
8.2 Experimental Diffusion Techniques.
8.3 Influence of Thermodynamic Forces on Diffusion.
9. Phase Behavior and M icroscopic Transport Processes in Binary Metallic Alloys: Computer Simulation Studies (Subir K. Das, Ali Kerrache, Jürgen Horbach, and Kurt Binder).
9.1 Introduction.
9.2 Transport Coefficients.
9.3 A Symmetric LJ Mixture with a Liquid–Liquid Demixing Transition.
9.4 Structure, Transport, and Crystallization in Al–Ni Alloys.
9.5 Summary.
10. Molecular Dynamics Modeling of Atomic Processes During Crystal Growth in Metallic Alloy Melts (Helmar Teichler and Mohamed Guerdane).
10.1 Introduction.
10.2 Entropy and Free Enthalpy of Zr–rich NixZr1–x Melts from MD Simulations and Their Application to the Thermodynamics of Crystallization.
10.3 Bridging the Gap between Phase Field Modeling and Molecular Dynamics Simulations. Dynamics of the Planar [NixZr1–x]liquid¯Zrcrystal Crystallization Front.
10.4 Entropy and Free Enthalpy in Ternary A1yNi0.4–yZr0.6 Alloys Melts.
10.5 Concluding Remarks.
11. Computational Optimization of Multicomponent Bernal’s Liquids (Helmut Hermann, Antje Elsner, and Valentin Kakotin).
11.1 Introduction.
11.2 Methods.
11.3 Results and Discussion.
11.4 Conclusion.
12. Solidification Experiments in Single–Component and Binary Colloidal Melts (Thomas Palberg, Nina Lorenz, Hans Joachim Schöpe, Patrick Wette, Ina Klassen, Dirk Holland–Moritz, and Dieter M. Herlach).
12.1 Introduction.
12.2 Experimental Procedure.
12.3 Results.
12.4 Conclusions.
Part Three: Nd–Fe based Alloys.
13. Phase–Field Simulations of Nd–Fe–B: Nucleation and Growth Kinetics During Peritectic Growth (Ricardo Siquieri and Heike Emmerich).
13.1 Introduction.
13.2 Phase–Field Model with Hydrodynamic Convection.
13.3 Investigating Heterogeneous Nucleation in Peritectic Materials via the Phase–Field Method.
13.4 Conclusion.
14. Investigations of Phase Selection in Undercooled Melts of Nd–Fe–B Alloys Using Synchrotron Radiation (Thomas Volkmann, Jörn Strohmenger, and Dieter M. Herlach).
14.1 Introduction.
14.2 Description of the Investigations.
14.3 Experimental Results and Discussion.
14.4 Analysis Within Models of Nucleation and Dendrite Growth.
14.5 Summary and Conclusion.
15. Effect of Varying Melt Convection on Microstructure Evolution of Nd–Fe–B and Ti–Al Periteric Alloys (Regina Hermann, Gunter Gerbeth, Kaushik Biswas, Octavian Filip, Victor Shatrov, and Janis Priede.
15.1 Introduction.
15.2 Methods Developed.
15.3 Sample Preparation.
15.4 Results and Discussion.
15.5 Conclusion.
16. Nanosized Magnetization Density Profiles in Hard Magnetic Nd–Fe–Co–Al Glasses (Olivier Perroud, Albrecht Wiedenmann, Mihai Stoica, and Jürgen Eckert).
16.1 Introduction.
16.2 SANS with polarized neutrons in unsaturated magnetic systems.
16.3 Experimental Procedure.
16.4 Results and Discussion.
16.5 Conclusion.
17. Microstructure and Magnetic Properties of Rapidly Quenched (Nd100–xGax)80Fe20(x=0, 5, 10, and 15 at%) alloys (Mihai Stoica, Golden Kumar, Mahesh Emmi, Olivier Perroud, Albrecht Wiedenmann, Annett Gebert, Shanker Ram, Ludwig Schultz, and Jürgen Eckert).
17.1 Introduction.
17.2 Sample Preparation a