List of symbols |
Glossary |
Interfacial Structure / Part I: |
The geometry of interfaces / 1: |
Introduction / 1.1: |
All the group theory we need / 1.2: |
The relationship between two crystals / 1.3: |
Crystals and lattices / 1.3.1: |
Vector and coordinate transformations / 1.3.2: |
Descriptions of lattice rotations / 1.3.3: |
Vector and matrix representations / 1.3.3.1: |
The Frank-Rodrigues map / 1.3.3.2: |
Fundamental zones / 1.3.3.3: |
Quaternions / 1.3.3.4: |
Geometrical specification of an interface / 1.4: |
Macroscopic and microscopic geometrical degrees of freedom / 1.4.1: |
Macroscopic geometrical degrees of freedom of an arbitrary interface / 1.4.2: |
Grain boundaries in cubic materials / 1.4.3: |
The median lattice and the mean boundary plane / 1.4.3.1: |
Tilt and twist components / 1.4.3.2: |
Symmetric and asymmetric tilt boundaries / 1.4.3.3: |
Bicrystallography / 1.5: |
Outline of crystallographic methodology / 1.5.1: |
Introduction to Seitz symbols / 1.5.3: |
Symmetry of dichromatic patterns / 1.5.4: |
Symmetry of dichromatic complexes / 1.5.5: |
Symmetry of ideal bicrystals / 1.5.6: |
Symmetry of real bicrystals / 1.5.7: |
Two examples / 1.6: |
Lattice matched polar-non-polar epitaxial interfaces / 1.6.1: |
Lattice matched metal-silicide silicon interfaces / 1.6.2: |
Classification of isolated interfacial line defects / 1.7: |
General formulation / 1.7.1: |
Interfacial dislocations / 1.7.2: |
DSC dislocations / 1.7.2.1: |
Supplementary displacement dislocations / 1.7.2.2: |
Relaxation displacement dislocations / 1.7.2.3: |
Non-holosymmetric crystals and interfacial defects / 1.7.2.4: |
Interfacial disclinations and dispirations / 1.7.2.5: |
The morphologies of embedded crystals / 1.8: |
Quasiperiodicity and incommensurate interfaces / 1.9: |
References |
Dislocation models for interfaces / 2: |
Classification of interfacial dislocations / 2.1: |
The Frank-Bilby equation / 2.3: |
Comments on the Frank-Bilby equation and the dislocation content of an interface / 2.4: |
Frank's formula / 2.5: |
The O-lattice / 2.6: |
The geometry of discrete dislocation arrays in interfaces / 2.7: |
The general interface / 2.7.1: |
Application to a grain boundary with arbitrary geometrical parameters / 2.7.2: |
Grain boundaries containing one and two sets of dislocations / 2.7.3: |
Epitaxial interfaces / 2.7.4: |
Local dislocation interactions / 2.8: |
Pt-NiO interfaces / 2.9: |
A1-A1[subscript 3] Ni eutectic interfaces / 2.9.2: |
Elastic fields of interfaces / 2.10: |
Stress and distortion fields of grain boundaries in isotropic elasticity / 2.10.1: |
Grain boundary energies / 2.10.3: |
Stress fields of heterophase interfaces in isotropic elasticity / 2.10.4: |
Dislocation arrays at interfaces in anisotropic elasticity / 2.10.5: |
Isotropic elastic analysis of epitaxial interfaces / 2.10.6: |
Stress fields of precipitates and non-planar interfaces / 2.10.7: |
Degree of localization of the cores of interfacial dislocations / 2.11: |
Lattice theories of dislocation arrays / 2.11.1: |
Peierls-Nabarro model for an isolated edge dislocation / 2.11.2.1: |
Peierls-Nabarro model for a symmetrical tilt boundary / 2.11.2.3: |
The van der Merwe model for a symmetrical tilt boundary / 2.11.2.4: |
Atomistic models using computer simulation and interatomic forces / 2.11.3: |
Experimental observations of arrays of interfacial dislocations / 2.12: |
Mainly room-temperature observations / 2.12.1: |
High-temperature observations / 2.12.2: |
Models of interatomic forces at interfaces / 3: |
Density functional theory / 3.1: |
The variational principle and the Kohn-Sham equations / 3.2.1: |
The Harris-Foulkes energy functional / 3.2.2: |
Valence and core electrons: pseudopotentials / 3.3: |
The force theorem and Hellmann-Feynman forces / 3.4: |
Cohesion and pair potentials in sp-bonded metals / 3.5: |
Effective medium theory / 3.6: |
The embedded atom method / 3.7: |
Tight binding models / 3.8: |
The diatomic molecule / 3.8.1: |
Bands, bonds, and Green functions / 3.8.3: |
Moments of the spectral density matrix / 3.8.4: |
The tight binding bond (TBB) model / 3.8.5: |
The second moment approximation / 3.8.6: |
Beyond the second moment approximation / 3.8.7: |
Temperature dependence of atomic interactions / 3.9: |
Ionic bonding / 3.10: |
Interatomic forces at heterophase interfaces / 3.11: |
Models and experimental observations of atomic structure / 4: |
Introduction: classification of interfaces / 4.1: |
Diffuse interfaces / 4.2: |
Heterophase interfaces in systems with a miscibility gap / 4.2.1: |
Antiphase domain boundaries in systems with long-range order / 4.2.2: |
Displacive transformation interfaces in systems near a mechanical instability / 4.2.3: |
Sharp homophase interfaces: large-angle grain boundaries / 4.3: |
Large-angle grain boundaries in metals / 4.3.1: |
The significance of the rigid body displacement parallel to the boundary plane / 4.3.1.1: |
The significance of the expansion normal to the boundary plane / 4.3.1.2: |
Testing the analytic model / 4.3.1.3: |
The significance of individual atomic relaxation / 4.3.1.4: |
Discussion: singular, vicinal, and general interfaces / 4.3.1.5: |
Methods of computer simulation / 4.3.1.6: |
The polyhedral unit model / 4.3.1.7: |
The structural unit model / 4.3.1.8: |
Three-dimensional grain boundary structures / 4.3.1.9: |
The influence of temperature / 4.3.1.10: |
Grain boundaries in ionic crystals / 4.3.2: |
Grain boundaries in covalent crystals / 4.3.3: |
Sharp heterophase interfaces / 4.4: |
Metal-metal interfaces / 4.4.1: |
Metal-insulator interfaces / 4.4.3: |
Metal-semiconductor interfaces / 4.4.4: |
Interfacial Thermodynamics / Part II: |
Thermodynamics of interfaces / 5: |
The interface free energy / 5.1: |
Additional interface thermodynamic quantities and relationships between them / 5.3: |
Introduction of the interface stress and strain variables / 5.4: |
Introduction of the geometric thermodynamic variables / 5.5: |
Dependence of [sigma] on the interface inclination / 5.6: |
The Wulff plot / 5.6.1: |
Equilibrium shape (Wulff form) of embedded second-phase particle / 5.6.2: |
Faceting of initially flat interface / 5.6.3: |
The capillarity vector, [xi] / 5.6.4: |
Capillary pressure associated with smoothly curved interface / 5.6.5: |
Equilibrium lattice solubility at a smoothly curved heterophase interface / 5.6.6: |
Equilibrium solubility at embedded second-phase particle / 5.6.7: |
Equilibrium interface configurations at interface junction lines / 5.6.8: |
Further thermodynamic relationships involving changes in interface inclination / 5.6.9: |
Dependence of [sigma] on the crystal misorientation / 5.7: |
Dependence of [sigma] on simultaneous variations of the interface inclination and crystal misorientation / 5.8: |
Chemical potentials and diffusion potentials, M[subscript i], in non-uniform systems containing interfaces / 5.9: |
Analysis of system at equilibrium; introduction of the diffusion potential, M[subscript i] / 5.9.1: |
Incoherent interface / 5.9.2.1: |
Coherent interface / 5.9.2.2: |
Summary / 5.9.2.3: |
Diffusional transport in non-equilibrium systems / 5.9.3: |
Interface phases and phase transitions / 6: |
Interface phase equilibria / 6.1: |
Interface phase transitions / 6.3: |
Non-congruent phase transitions / 6.3.1: |
Faceting of initially flat interfaces / 6.3.1.1: |
Faceting of embedded particle interfaces / 6.3.1.2: |
Interface dissociation / 6.3.1.3: |
Congruent phase transitions / 6.3.2: |
Various transitions induced by changes in temperature, composition, or crystal misorientation / 6.3.2.1: |
Interface wetting by a solid phase / 6.3.2.2: |
Interface wetting by a liquid phase in alloy systems / 6.3.2.3: |
Grain boundary melting in a one-component system / 6.3.2.4: |
Segregation of solute atoms to interfaces / 7: |
Overview of some of the main features of interface segregation in metals / 7.1: |
Physical models for the interaction between solute atoms and interfaces / 7.3: |
Elastic interaction models / 7.3.1: |
Size accommodation model / 7.3.2.1: |
Hydrostatic pressure (P[Delta]V) and elastic inhomogeneity models / 7.3.2.2: |
Further elastic models / 7.3.2.3: |
Atomistic models at 0 K / 7.3.3: |
Electronic interaction models / 7.3.4: |
Statistical mechanical models of segregation / 7.4: |
Regular solution model / 7.4.1: |
Mean field models / 7.4.3: |
McLean isotherm / 7.4.3.1: |
Fowler-Guggenheim isotherm / 7.4.3.2: |
Multiple segregation site models / 7.4.3.3: |
Beyond mean field models / 7.4.4: |
Some additional models / 7.4.5: |
Atomistic models at a finite temperature / 7.5: |
Interface segregation in ionic solids / 7.6: |
Interfacial Kinetics / Part III: |
Diffusion at interfaces / 8: |
Fast diffusion along interfaces of species which are substitutional in the crystal lattice / 8.1: |
Slab model and regimes of diffusion behaviour / 8.2.1: |
Mathematical analysis of the diffusant distribution in the type A, B, and C regimes / 8.2.2: |
Experimental observations / 8.2.3: |
Some major results for diffusion along interfaces / 8.2.3.1: |
Effects of interface structure / 8.2.3.2: |
Mechanisms for fast grain boundary diffusion / 8.2.4: |
Equilibrium point defects in the grain boundary core / 8.2.4.1: |
'Ring', vacancy, interstitialcy, and interstitial mechanisms / 8.2.4.2: |
Models for grain boundary self-diffusivities via the different mechanisms / 8.2.5: |
Vacancy mechanism / 8.2.5.1: |
Interstitialcy mechanism / 8.2.5.2: |
Interstitial mechanism / 8.2.5.3: |
General characteristics of the models for boundary self-diffusion / 8.2.6: |
On the question of the mechanism (or mechanisms) of fast grain boundary diffusion / 8.2.7: |
Metals / 8.2.7.1: |
Ionic materials / 8.2.7.2: |
Covalent materials / 8.2.7.3: |
Diffusion along interfaces of solute species which are interstitial in the crystal lattice / 8.3: |
Slow diffusion across interfaces in fast ion conductors / 8.4: |
Diffusion-induced grain boundary motion (DIGM) / 8.5: |
Conservative motion of interfaces / 9: |
'Conservative' versus 'non-conservative' motion of interfaces / 9.1: |
Driving pressures for conservative motion / 9.1.2: |
Basic mechanisms: correlated versus uncorrelated processes / 9.1.3: |
Impediments to interface motion / 9.1.4: |
Mechanisms and models for sharp interfaces / 9.2: |
Glissile motion of interfacial dislocations / 9.2.1: |
Small-angle grain boundaries / 9.2.1.1: |
Large-angle grain boundaries / 9.2.1.2: |
Heterophase interfaces / 9.2.1.3: |
Glide and climb of interfacial dislocations / 9.2.2: |
Shuffling motion of pure steps / 9.2.2.1: |
Uncorrelated atom shuffling and/or diffusional transport / 9.2.4: |
Uncorrelated atom shuffling / 9.2.4.1: |
Uncorrelated diffusional transport / 9.2.4.2: |
Solute atom drag / 9.2.5: |
Experimental observations of non-glissile (thermally activated) grain boundary motion in metals / 9.2.6: |
General large-angle grain boundaries / 9.2.6.1: |
Singular (or vicinal) large-angle grain boundaries / 9.2.6.2: |
Solute atom drag effects / 9.2.6.3: |
Mechanisms and models for diffuse interfaces / 9.2.6.4: |
Propagation of non-linear elastic wave (or, alternatively, coherency dislocations) / 9.3.1: |
Self-diffusion / 9.3.2: |
Equations of interface motion / 9.4: |
Motion when v = v(n) / 9.4.1: |
Motion of curved interfaces under capillary pressure / 9.4.2: |
More general conservative motion / 9.4.3: |
Impediments to interface motion due to pinning / 9.5: |
Pinning effects due to embedded particles / 9.5.1: |
Pinning at stationary particles at low temperatures / 9.5.1.1: |
Thermally activated unpinning / 9.5.1.2: |
Diffusive motion of pinned particles along with the interface / 9.5.1.3: |
Pinning at free surface grooves / 9.5.2: |
Non-conservative motion of interfaces: interfaces as sources/sinks for diffusional fluxes of atoms / 10: |
General aspects of interfaces as sources/sinks / 10.1: |
'Diffusion-controlled', 'interface-controlled', and 'mixed' kinetics / 10.2.1: |
Dissipation of energy during source/sink action / 10.2.2: |
The maximum energy available to drive the source/sink action / 10.2.3: |
Grain boundaries as sources/sinks for fluxes of atoms / 10.3: |
Models / 10.3.1: |
Models for singular or vicinal grain boundaries / 10.3.2.2: |
Models for general grain boundaries / 10.3.3.2: |
Sharp heterophase interfaces as sources/sinks for fluxes of atoms / 10.3.3.3: |
Singular or vicinal heterophase interfaces / 10.4.1: |
General heterophase interfaces / 10.4.1.2: |
Growth, coarsening, shape-equilibration, and shrinkage of small precipitate particles / 10.4.2: |
Growth of phases in the form of flat parallel layers / 10.4.2.2: |
Annealing of supersaturated vacancies / 10.4.2.3: |
Diffusional accommodation of boundary sliding at second phase particles / 10.4.2.4: |
Diffuse heterophase interfaces as sources/sinks for solute atoms / 10.5: |
On the question of interface stability during source/sink action / 10.6: |
Interfacial Properties / Part IV: |
Electronic properties of interfaces / 11: |
The Schottky model / 11.1: |
The Bardeen model / 11.2.3: |
Metal-induced gap states (MIGS) / 11.2.4: |
The defect model / 11.2.5: |
The development of the Schottky barrier as a function of metal coverage / 11.2.6: |
Schottky barriers on Si / 11.2.7: |
Discussion of models for Schottky barriers / 11.2.8: |
Inhomogeneous Schottky barriers / 11.2.9: |
Semiconductor heterojunctions / 11.3: |
The band offsets / 11.3.1: |
Grain boundaries in metals / 11.4: |
Grain boundaries in semiconductors / 11.5: |
Grain boundaries in high temperature superconductors / 11.6: |
Mechanical properties of interfaces / 12: |
Compatibility stresses in bicrystals and polycrystals / 12.1: |
Compatibility stresses caused by applied elastic stress / 12.2.1: |
Compatibility stresses caused by plastic straining / 12.2.2: |
Compatibility stresses caused by heating/cooling / 12.2.3: |
Elastic interactions between dislocations and interfaces / 12.3: |
Interfaces as sinks, or traps, for lattice dislocations / 12.4: |
Large-angle grain boundaries and heterophase boundaries / 12.4.1: |
Singular boundaries / 12.4.3.1: |
General boundaries / 12.4.3.2: |
On the global equilibration of impinged lattice dislocations / 12.4.4: |
Interfaces as sources of both interfacial and lattice dislocations / 12.5: |
Interfaces as sources of interfacial dislocations / 12.5.1: |
Interfaces as sources of lattice dislocations / 12.5.2: |
Singular interfaces / 12.5.2.1: |
General interfaces / 12.5.2.2: |
Interfaces as barriers to the glide of lattice dislocations (slip) / 12.6: |
Grain boundaries / 12.6.1: |
Effects of interfaces on the plastic deformation of bicrystals and polycrystals at low temperatures / 12.6.2: |
Homophase bicrystals and polycrystals / 12.7.1: |
Heterophase bicrystals and polycrystals / 12.7.2: |
Role of interfaces in the plastic deformation of bicrystals and polycrystals at high temperatures / 12.8: |
Interface sliding / 12.8.1: |
Sliding at an ideally planar grain boundary / 12.8.1.1: |
Sliding at a non-planar grain boundary by means of elastic accommodation / 12.8.1.2: |
Sliding at a non-planar grain boundary by means of diffusional accommodation / 12.8.1.3: |
Sliding at a non-planar grain boundary by means of plastic flow accommodation in the lattice / 12.8.1.4: |
Experimental observations of sliding at interfaces / 12.8.1.5: |
Creep of polycrystals / 12.8.2: |
Creep of homophase polycrystals controlled by diffusional transport / 12.8.2.1: |
Creep of homophase polycrystals controlled by boundary sliding / 12.8.2.2: |
Creep of homophase polycrystals controlled by movement of lattice dislocations / 12.8.2.3: |
Further aspects of the creep of polycrystals / 12.8.2.4: |
Fracture at homophase interfaces / 12.9: |
Overview of the different types of fracture observed experimentally in homophase polycrystals / 12.9.1: |
Propagation of cleavage cracks / 12.9.2: |
Crack propagation in a single crystal / 12.9.2.1: |
Crack propagation along a grain boundary / 12.9.2.2: |
Crack propagation in homophase polycrystals / 12.9.2.3: |
Growth and coalescence of cavities at grain boundaries at low temperatures by plastic flow due to dislocation glide / 12.9.3: |
Growth and coalescence of cavities at grain boundaries at high temperatures by diffusion, power-law creep, and boundary sliding / 12.9.4: |
Initiation of cavities / 12.9.4.1: |
Growth of cavities / 12.9.4.2: |
Coalescence of cavities and complete intergranular fracture / 12.9.4.3: |
Fracture at heterophase interfaces / 12.10: |
Index |