– 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.
List of Contributors.
Part One: Thermodynamics.
1. Phase Formation in Multicomponent Monotectic Al–based Alloys (Joachim GrÃ¶bner, Djordje MirkoviÄ?, and Rainer Schmid–Fetzer).
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.
2. Liquid–Liquid Interfacial Tension in Multicomponent Immiscible Al–based Alloys (Walter Hoyer and Ivan G. Kaban).
2.2 Measurement Technique.
2.3 Experimental Details.
3. Monotectic Growth Morphologies and Their Transitions (Lorenz Ratke, Anja MÃ¼ller, Martin Seifert, and Galina Kasperovich).
3.2 Experimental Procedures.
3.3 Experimental Results.
4. Thermal Expansion and Surface Tension of Multicomponent Alloys (JÃ¼rgen Brillo and Ivan Egry).
4.4 Conclusion and Summary.
5. Measurement of the Solid–Liquid Interface Energy in Ternary Alloy Systems (Annemarie Bulla, Emir Subasic, Ralf Berger, Andreas BÃ¼hrig–Polaczek, and Andreas Ludwig).
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 RÃ¶sner, and JÃ¶rg WeissmÃ¼ller).
6.2 Phase Stability and Phase Transformations in Nanoscale Systems.
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 StÃ¼ber, Thomas Voigtmann, and Andreas Meyer).
7.2 Experimental Details.
7.3 Results and Discussion.
8. Diffusion in Multicomponent Metallic Melts Near the Melting Temperature (Axel Griesche, Michael–Peter Macht, and GÃ¼nter Frohberg).
8.2 Experimental Diffusion Techniques.
8.3 Influence of Thermodynamic Forces on Diffusion.
9. Phase Behavior and Microscopic Transport Processes in Binary Metallic Alloys: Computer Simulation Studies (Subir K. Das, Ali Kerrache, JÃ¼rgen Horbach, and Kurt Binder).
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.
10. Molecular Dynamics Modeling of Atomic Processes During Crystal Growth in Metallic Alloy Melts (Helmar Teichler and Mohamed Guerdane).
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]liquidÂ¯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 Bernalâ??s Liquids (Helmut Hermann, Antje Elsner, and Valentin Kakotin).
11.3 Results and Discussion.
12. Solidification Experiments in Single–Component and Binary Colloidal Melts (Thomas Palberg, Nina Lorenz, Hans Joachim SchÃ¶pe, Patrick Wette, Ina Klassen, Dirk Holland–Moritz, and Dieter M. Herlach).
12.2 Experimental Procedure.
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).
13.2 Phase–Field Model with Hydrodynamic Convection.
13.3 Investigating Heterogeneous Nucleation in Peritectic Materials via the Phase–Field Method.
14. Investigations of Phase Selection in Undercooled Melts of Nd–Fe–B Alloys Using Synchrotron Radiation (Thomas Volkmann, JÃ¶rn Strohmenger, and Dieter M. Herlach).
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.
15.2 Methods Developed.
15.3 Sample Preparation.
15.4 Results and Discussion.
16. Nanosized Magnetization Density Profiles in Hard Magnetic Nd–Fe–Co–Al Glasses (Olivier Perroud, Albrecht Wiedenmann, Mihai Stoica, and JÃ¼rgen Eckert).
16.2 SANS with polarized neutrons in unsaturated magnetic systems.
16.3 Experimental Procedure.
16.4 Results and Discussion.
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 JÃ¼rgen Eckert).
17.2 Sample Preparation and Experimental Investigations.
17.3 Binary Nd80Fe20 Rapidly Quenched Alloys.
17.4 Ternary (Nd100–xGax)80Fe20(x=5, 10, and 15) Rapidly Quenched Alloys.
18. Solidification of Binary Alloys with Compositional Stressesâ??A Phase–Field Approach (Bo Liu and Klaus Kassner).
18.2 Equations of Motion.
18.3 Neutral Curves.
18.4 Phase–Field Model.
18.5 Simulation Results.
19. Elastic Effects on Phase Transitions in Multi–component Alloys (Efim A. Brener, Clemens Gugenberger, Heiner MÃ¼ller–Krumbhaar, Denis Pilipenko, Robert Spatschek, and Dmitrii E. Temkin).
19.1 Melting of Alloys in Eutectic System.
19.2 Combined Motion of Melting and Solidification Fronts.
19.3 Continuum Theory of Fast Crack Propagation.
20. Modeling of Nonisothermal Multi–component, Multi–phase Systems with Convection (Harald Garcke and Robert Haas).
20.2 Phase–field Models for Multicomponent, Multiphase Systems.
20.3 Multiphase Ginzburg–Landau Energies.
20.4 Convective Phase–Field Models.
20.5 Mathematical Analysis.
21. Phase–field Modeling of Solidification in Multi–component and Multi–phase Alloys (Denis Danilov and Britta Nestler).
21.2 Phase–field Model for Multicomponent and Multiphase Systems.
21.3 Modeling of Dendritic Growth.
21.4 Solute Trapping During Rapid Solidification.
21.5 Comparison of Molecular Dynamics and Phase–field Simulations.
21.6 Modeling of Eutectic Growth.
22. Dendrite Growth and Grain Refinement in Undercooled Melts (Peter K. Galenko and Dieter M. Herlach).
22.2 Solidification of Pure (One–Component) System.
22.3 Solidification of Binary Alloys with Constitutional Effects.
22.4 Solidification of a Ternary Alloy.
22.5 Summary and Conclusions.
23. Dendritic Solidification in the Diffuse Regime and Under the Influence of Buoyancy–Driven Melt Convection (Markus Apel and Ingo Steinbach).
23.2 The Multiphase–field Model.
23.3 Rapid Solidification in Ni98Al1Zr1.
23.4 Directional Solidification with Buoyancy–driven Interdendritic Flow.
23.5 Sumamry and Conclusion.
24. Stationary and Instationary Morphology Formation During Directional Solidification of Ternary Eutectic Alloys (Bernd BÃ¶ttger, Victor T. Witusiewicz. Murkus Apel, Anne Drevermann, Ulrike Hecht, and Stephan Rex).
24.2 Investigations on the Eutectic System Ag–Cu–Zn.
24.3 Investigation on the Ternary Alloy System In–Bi–Sn.
24.4 Transient Growth.
24.5 Summary and Conclusion.
25. Dendritic Microstructure, Decomposition, and Metastable Phase Formation in the Bulk Metallic Glass Matrix Composite Zr56Ti14Nb5Cu7Ni6Be12 (Susanne Schneider, Alberto Bracchi, Yue–Lin Huang, Michael Seibt, and Poppannan Thiyagarajan).
25.2 Experimental Procedures.
25.3 Results and Discussion.