Interatomic Potentials and Simulation of Lattice Defects

One Introductory Lectures.- 1. Computer Experiments With Lattice Models.- Discussion.- 2. Potential Functions and the Simulation of Defects in Lattice Dynamical Defect Problems.- Discussion.- 3. The Theory of Interatomic Potentials in Solids...- Discussion.- 4. Ion-Ion Interactions in Metals: Their Nature and Physical Manifestations.- Discussion.- 5. Kanzaki Forces and Electron Theory of Displaced Charges in Relaxed Defect Lattices.- Discussion.- Two Interatomic Potentials.- 1. Screening Functions in Simple Metals.- Discussion.- 2. The Direct Construction of the Lattice Green Function.- Discussion.- 3. Computer Simulation of Quantum Phenomena.- Discussion.- 4. On the Validity of Two-Body Potentials in Metals.- Discussion.- 5. Experimental Techniques Used to Obtain Potentials.- Discussion.- 6. Molecular Dynamics Studies of Liquids.- Discussion.- 7. Interatomic Potentials; Aspects Which are Visible in Experimental Radial Pair Distributions.- 8. Derivation of Long-Range Interaction Energies from Diffuse Scattering in Diffraction Patterns.- Discussion.- 9. The Study of Interatomic Potentials by Planar Channeling Experiments.- Discussion.- Three Point Defects.- 1. Defect Calculations for FCC and BCC Metals.- Discussion.- 2. Pseudopotential Calculation of Point Defect Properties in Simple Metals.- Discussion.- 3. Impurity Atom Effects in Metallic Crystals.- Discussion.- 4. Rare Gases in Metals.- Discussion.- 5. On Pseudopotential Calculation of Point Defects in Metals.- Discussion.- 6. Computer Simulation of the Short-Term Annealing of Displacement Cascades.- Discussion.- 7. Computer Simulation of Atomic Displacement Cascades in Solids.- Discussion.- 8. Temperature Dependence of the Vacancy Formation Energy in Krypton by Molecular Dynamics.- Discussion.- Agenda Discussion: Point Defects.- Four Dislocations and Stacking Faults.- 1. Influence of Dislocations on Electron Microscope Crystal Lattice Images.- Discussion.- 2. On the Motion of the a/2 Screw Dislocation in Models of ?-Iron.- Discussion.- 3. On the Factors Controlling the Structure of the Dislocation Cores in BCC Crystals.- Discussion.- 4. Extended Defects in Copper and Their Interactions with Point Defects.- Discussion.- 5. Partial Dislocation Interactions in a Face-Centered Cubic Sodium Lattice.- Discussion.- 6. The Motion of Screw Dislocations in a Model B.C.C. Sodium Lattice.- Discussion.- 7. Atomistic Calculations of Peierls-Nabarro Stress in a Planar Square Lattice.- Agenda Discussion: Dislocations and Stacking Faults.- Five Surfaces and Interfaces.- 1. Experimental Studies of Atomic Behavior at Crystal Surfaces.- Discussion.- 2. Simulating Surfaces by the Summation of Pairwise Interatomic Potentials.- Discussion.- 3. Interaction Energy and Configuration of Ledges on (001) Copper Surfaces.- Discussion.- 4. Computer Calculations of Dynamical Surface Properties of Crystals.- Discussion.- 5. A Computer Simulation Study of Grain Boundaries in FCC Gamma-Iron and Their Interactions With Point Defects.- Discussion.- 6. Computer Simulation of the Structure of High Angle Grain Boundaries.- Discussion.- 7. A Study of Crack Propagation in Alpha-Iron.- Discussion.- Agenda Discussion: Surfaces and Interfaces.- Six Computer Techniques.- Agenda Discussion: Computer Techniques.- Seven Critical Issues.- Concluding Agenda Discussion: Critical Issues.