Ebook: Statics and Dynamics of Alloy Phase Transformations

The study of phase transformations in substitutional alloys, including order­ disorder phenomena and structural transformations, plays a crucial role in understanding the physical and mechanical properties of materials, and in designing alloys with desired technologically important characteristics. Indeed, most of the physical properties, including equilibrium properties, transport, magnetic, vibrational as well as mechanical properties of alloys are often controlled by and are highly sensitive to the existence of ordered compounds and to the occurrence of structural transformations. Correspondingly, the alloy designer facing the task of processing new high-performance materials with properties that meet specific industrial applications must answer the following question: What is the crystalline structure and the atomic configuration that an alloy may exhibit at given temperature and concentration? Usually the answer is sought in the phase-diagram of a relevant system that is often determined experimentally and does not provide insight to the underlying mechanisms driving phase stability. Because of the rather tedious and highly risky nature of developing new materials through conventional metallurgical techniques, a great deal of effort has been expended in devising methods for understanding the mechanisms contrOlling phase transformations at the microscopic level. These efforts have been bolstered through the development of fully ab initio, accurate theoretical models, coupled with the advent of new experimental methods and of powerful supercomputer capabilities.

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Content:
Front Matter....Pages i-xiii
Front Matter....Pages 1-1
Statics and Dynamics of Alloy Phase Transformations Opening Remarks....Pages 1-13
Front Matter....Pages 15-15
Experimental Determination of Phase Diagrams....Pages 17-43
Phenomenological Calculations of Phase-Equilibria: the Calphad Approach....Pages 45-79
Phase Stability of Al3X Alloys (X = Ti, Zr, Hf)....Pages 81-101
Diffuse Scattering Determination of Short Range Order in Alloys....Pages 103-126
Introduction to the Physics of Quasicrystals....Pages 127-154
Thermodynamically Improbable Phase Diagram Features....Pages 155-161
Formation of Electron Phases in Binary S,P-Bonded Metal Alloys Under High Pressure....Pages 163-170
In Situ Diffuse Scattering of Neutrons in Alloys and Application to Phase Diagram Determination....Pages 171-174
Short-Range Order and Pair Interactions in Binary Nickel Alloys....Pages 175-178
Verification of Interatomic Interaction Energies by Means of Monte-Carlo Simulation of Short-Range Order and Internal Friction Spectra....Pages 179-183
Separation of Chemical and Topological Disorder in Asaxs Experiments....Pages 185-189
Long-Range Ordering and Disordering in Cu-Pt....Pages 191-194
Orientational Phase Transitions in Alloys....Pages 195-201
X-ray Absorption Spectroscopy Investigations of Atomic Reordering At ZnTe/CdSe Interfaces....Pages 203-206
L12 - DO22 Competition in the Quasi-Binary (Pt, Rh)3V and (Pd, Rh)3V Alloys....Pages 207-210
A Tem Survey On ?’/?’ Composite Precipitates in an Al-2.5%Li-0.15%Zr Alloy....Pages 211-214
The Effect of Volume Fraction on ?’ (Ni3Si) Precipitate Coarsening In Ni-Si Alloys....Pages 215-218
Front Matter....Pages 219-224
The Energetics of Ordered Intermetallic Alloys (of the Transition Metals)....Pages 225-225
Front Matter....Pages 227-268
Quantum Theory of Structure: Crystals and Quasicrystals, Melts and Glasses....Pages 225-225
First Principles Theory of Disordered Alloys and Alloy Phase Stability....Pages 269-304
First-Principles Statistical Mechanics of Semiconductor Alloys and Intermetallic Compounds....Pages 305-359
Displacive Phase Transformations and Phonons....Pages 361-419
On Significance of the Local Lattice Distortions, Bandstructure Variations and Charge Transfer Effects for Configurational Interactions in Substitutional Alloys....Pages 421-434
Calculations of Elastic Moduli From First Principles....Pages 435-438
First Principles Studies of Electronic Structure and Mechanical Properties of Metallic Alloys....Pages 439-442
Electronic Structure of Planar Defects in Ordered and Disordered High Temperature Intermetallics....Pages 443-446
Bonding Mechanisms and Interatomic Forces in Ni-Al Liquid Alloys....Pages 447-451
Full-Potential Cpa Theory Using Rectangular Matrices....Pages 453-456
Fully Relativistic Multi-Site Interactions....Pages 457-460
Front Matter....Pages 461-464
Monte Carlo Simulations of Alloy Phase Transformations....Pages 465-465
The Cluster Variation Method and Some Applications....Pages 467-493
Front Matter....Pages 495-540
A Combined Monte Carlo and Cluster Variation Approach for Calculating Gibbs Energies and Chemical Potentials....Pages 539-539
The Direct Monte Carlo Method for Calculating Alloy Phases....Pages 541-544
Ground States and Ordering in Semiconducting (Chalcopyritemzinc-Blende) Alloys....Pages 545-551
LMTO/CVM Calculations of BCC Based Phase Ordering in The System Fe-Be....Pages 553-556
Ordering and Displacive Transformations in Ni-Al Alloys....Pages 557-560
The Gibbs Energy Of Transition Metal Compounds....Pages 561-566
Ab Initio Computation Of The Fcc Pd-V Phase Diagram....Pages 567-570
Front Matter....Pages 571-575
Evaluation of Defect-Defect Pair Interactions in Nonstoichiometric Oxides by Cvm and Monte Carlo Calculations....Pages 539-539
Phase Stability of Fcc- and Hcp-Based Intermetallics: The Ti-Ai and Cd-Mg Systems....Pages 577-580
Front Matter....Pages 581-584
Morphology Transformations in Ordering and Phase Separating Materials....Pages 585-585
Alloys Under External Forcing: Steady-States and Microstructural Evolutions....Pages 587-604
Amorphous and Liquid Semiconducting Alloys Investigated By First Principles Molecular Dynamics....Pages 605-633
Front Matter....Pages 635-652
Continuous Displacement of “Lattice” Atoms....Pages 651-651
Spinodal Ordering Evidenced by ppm....Pages 653-664
Kinetics of Disorder -Order Transformations: Thermodynamic Theory Versus Kinetic Rate Theory....Pages 665-668
Kinetics of an Inhomogeneous King Alloy....Pages 669-672
Statics and Kinetics of Phase Transformations In Bcc Fe-Cr....Pages 673-677
Elastically Driven Phase Transitions Studied by A Continuous Monte Carlo Method....Pages 679-682
On Theory of Open Systems: Statistical Thermodynamics For the Alloy Under Irradiation Model....Pages 683-686
Dynamics of Radiation-Induced Amorphization in Ordered Intermetallic Compounds....Pages 687-690
Dynamics of Martensitic Transformations Examined in a Computer....Pages 691-695
Tight-Binding Molecular Dynamics of Semiconductor Clusters and Crystals....Pages 697-702
A Parallel Kolecular Dykamics Strategy For Pvm....Pages 703-711
Closing Remarks....Pages 713-718
Back Matter....Pages 719-726
....Pages 727-737