CALPHAD Calculation of Phase Diagrams: A Comprehensive Guide

Front Cover......Page p0001.djvu
CALPHAD Calculation of Phase Diagrams: A Comprehensive Guide......Page p0004.djvu
Copyright Page......Page p0005.djvu
Contents......Page p0006.djvu
Series preface......Page p0015.djvu
Preface......Page p0016.djvu
Foreword......Page p0017.djvu
CHAPTER 1. INTRODUCTION......Page p0018.djvu
2.2. The Early Years......Page p0024.djvu
2.3. The Intermediate Years......Page p0031.djvu
2.4. The Last Decade......Page p0038.djvu
2.5. The Current Status of CALPHAD......Page p0041.djvu
References......Page p0043.djvu
3.2. The First Law of Thermodynamics......Page p0050.djvu
3.3. The Second Law of Thermodynamics......Page p0055.djvu
3.5. Thermodynamics and Chemical Equilibrium......Page p0058.djvu
3.6. Solution Phase Thermodynamics......Page p0061.djvu
3.7. Thermodynamics of Phase Equilibria and Some Simple Calculated Phase Diagrams......Page p0067.djvu
References......Page p0074.djvu
4.2. Experimental Determination of Thermodynamic Quantities......Page p0078.djvu
4.3. Experimental Determination of Phase Diagrams......Page p0089.djvu
References......Page p0102.djvu
5.1. Introduction......Page p0108.djvu
5.3. Random Substitutional Models......Page p0109.djvu
5.4. Sublattice Models......Page p0116.djvu
5.5. Ionic Liquid Models......Page p0127.djvu
5.6. Aqueous Solutions......Page p0137.djvu
References......Page p0141.djvu
6.2. Thermochemical Estimations......Page p0146.djvu
6.3. Ab Initio Electron Energy Calculations......Page p0159.djvu
6.4. The Behaviour of Magnetic Elements......Page p0170.djvu
6.5. The Effect of Pressure......Page p0177.djvu
6.6. Determination of Interaction Coefficients for Alloys and Stability of Counter-Phases......Page p0182.djvu
6.7. Summary......Page p0189.djvu
References......Page p0190.djvu
7.1. Introduction......Page p0198.djvu
7.2. General Principles of Ordering Models......Page p0201.djvu
7.3. Features of Various Ordering Models......Page p0205.djvu
7.4. Empirical Routes......Page p0223.djvu
7.5. Role of Lattice Vibrations......Page p0225.djvu
7.6. Integration of Ordering into Phase Diagram Calculations......Page p0227.djvu
7.7. Comments on the use of ordering treatments in CALPHAD calculations......Page p0237.djvu
References......Page p0239.djvu
8.1. Introduction......Page p0246.djvu
8.2. Derivation of the Magnetic Entropy......Page p0250.djvu
8.3. Derivation of Magnetic Enthalpy, Hmag......Page p0251.djvu
8.4. Derivation of Magnetic Gibbs Energy......Page p0254.djvu
8.5. The Effect of Alloying Elements......Page p0257.djvu
8.6. The Estimation of Magnetic Parameters......Page p0261.djvu
8.7. Multiple Magnetic States......Page p0263.djvu
8.8. Changes in Phase Equilibria Directly Attributable to Gmag......Page p0265.djvu
8.9. Interaction with External Magnetic Fields......Page p0270.djvu
References......Page p0273.djvu
9.1. Introduction......Page p0278.djvu
9.2. Calculation of Phase Equilibria......Page p0279.djvu
9.3. Thermodynamic Optimisation of Phase Diagrams......Page p0301.djvu
References......Page p0311.djvu
10.1. Introduction......Page p0316.djvu
10.2. Early CALPHAD Applications......Page p0317.djvu
10.3. General Background to Multi-Component Calculations......Page p0326.djvu
10.4. Step-by-Step Examples of Multi-Component Calculations......Page p0330.djvu
10.5. Quantitative Verification of Calculated Equilibria in Multi-Component Alloys......Page p0349.djvu
10.6. Selected Examples......Page p0361.djvu
References......Page p0419.djvu
11.1. Introduction......Page p0428.djvu
11.2. The Calculation of Metastable Equilibria......Page p0429.djvu
11.3. The Direct Coupling of Thermodynamics and Kinetics......Page p0439.djvu
References......Page p0475.djvu
CHAPTER 12. FUTURE DEVELOPMENTS......Page p0480.djvu
References......Page p0482.djvu
Author index......Page p0484.djvu
Subject index......Page p0486.djvu