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| Monte Carlo Simulations of Surfaces and Interfaces in Materials | p. 3 |
| Continuum Diffuse-Interface Model for Modeling Microstructural Stability | p. 37 |
| Atomistic Studies of the Structure of Grain Boundaries and Dislocations | p. 53 |
| Dislocation Patterns: Experiment, Theory and Simulation | p. 99 |
| Computer Simulation of Fracture, Dislocations and Martensitic Transformations in Solids | p. 137 |
| Continuous Phase Transitions at Surfaces of CuAu Alloy Models - A Monte Carlo Study of Surface Induced Order and Disorder | p. 165 |
| Surface Ordering and Surface Segregation in Binary Alloys | p. 173 |
| Relaxed Monte Carlo Simulations on Au-Ni Alloy | p. 179 |
| Continuous Monte Carlo Simulation of Surfaces and Interfaces of Mismatched Crystals | p. 185 |
| Kinetics at Early Stages of Phase Separation and Ordering in Alloys | p. 191 |
| The Gaussian Cluster Variation Method and its Application to the Thermodynamics of Transition Metals | p. 197 |
| Kinetic Path for Disorder-LI[subscript 2] Transition Studied by the PPM | p. 205 |
| Investigation of H-H (D-D) and H (D)-N Interactions in Nb and Ta by Means of Computer Simulation of Diffusion | p. 211 |
| A Molecular Dynamics Simulation of Vibrational Properties and Diffusion of Copper Adatoms on a Copper (001) Surface | p. 217 |
| The Order-Disorder Transition at a [Sigma]=17 Tilt Boundary in Cu[subscript 3]Au | p. 223 |
| Monte Carlo Simulation of MBE Growth of GaAs Analysis of RHEED | p. 229 |
| Self-Consistent Green's Function Method for Random Surfaces and Interfaces | p. 237 |
| Electronic Structure and Physical Properties | p. 265 |
| Classical and First Principles Molecular Dynamics Simulations in Material Science: Application to Structural and Dynamical Properties of Free and Supported Clusters | p. 295 |
| New Tight-Binding Methodology for Calculating Total Energy of Solids | p. 325 |
| Contributions to the Total Energy of Random Alloys | p. 333 |
| Competing Mechanisms for Ordering Tendencies in BCC CuAuZn[subscript 2] and FCC AuFe Alloys | p. 339 |
| A Novel Full Potential Contracted Plane Wave (FCPW-) Method for Electronic Structure Calculations on Complex Materials | p. 347 |
| Effective Ising Hamiltonian for Surfaces of Metallic Alloys | p. 355 |
| The Influence of Quasi-Particle Lifetimes and Electronic Topological Transitions on the Deviations from Vegard's Rule in Ag-Pd Alloys | p. 361 |
| Electronic Structure and Stability of Al-Ge Alloys Under Pressure | p. 367 |
| Prediction of Unsuspected Ordering Tendencies in Pd-Pt and Rb-Pt Alloys | p. 375 |
| Energetic Effects in the Au-Ni System | p. 381 |
| Electronic Topological Transitions and Phase Stability in Ag Pd and Cu Pt Alloys | p. 387 |
| Energetics of the Light Actinides in a Full Charge Density Scheme | p. 393 |
| Impurity Effects on Bonding Charge in Ni[subscript 3]Al | p. 401 |
| Electronic Structure of Stacking Faults in [actual symbol not reproducible] and Ag[subscript 1-x]Au[subscript x] Alloys | p. 407 |
| Effects of Boron and Sulfur on the Ideal Yield Stress of Ni[subscript 3]Al - A First-Principles Approach | p. 413 |
| Ab-Initio Calculations of the Lattice Relaxation in Dilute Alloys | p. 419 |
| Prediction of Lattice Vibrations in Metastable and Unstable Transition Metal Systems | p. 425 |
| Itinerant Magnetism of (001) Surfaces of Random Nickel-Copper and Iron-Vanadium Alloys | p. 431 |
| Calculation of Spontaneous Resistance Anisotropy of Disordered Ferromagnetic Alloys | p. 437 |
| Ab-Initio Based Atomistic Potentials and Application to Metallic Surface and Interface Structures | p. 443 |
| On the Role of Non-Pair Potential Terms in Semiempirical Quantum-Mechanical Simulations | p. 449 |
| A Comparative Ab Initio Study of Small Si and C Clusters | p. 455 |
| Brillouin Zone Concept and Crystal Symmetry of Intermetallic High Pressure Phases | p. 465 |
| TEM Characterization of Structural Defects | p. 473 |
| Dislocations and the Plasticity of Crystals | p. 509 |
| Mechanical Properties of TiAl and TiAl-Base Alloys | p. 547 |
| Structure-Property Relationship of Metal-Ceramic Interfaces | p. 581 |
| Stability and Instability of Crystalline and Amorphous Phases at High Pressure | p. 615 |
| Distributions of Dislocation Dissociation Widths | p. 645 |
| An Atomistic Study of the Image Force on a Dislocation in a Bimaterial | p. 651 |
| Slip Induced Configurational Energy Change in Binary Alloys | p. 657 |
| Cyclic Creep Deformation Characteristics of Single Crystal of Nickel Base Superalloy CMSX 3 | p. 663 |
| An Electrochemical Model for Environmental Cracking of Metals | p. 669 |
| Instability Phenomena in Al-Zn Alloys | p. 675 |
| The Effect of Alloying Additions on the Interfacial Interactions at the Fe-Al Interface During Coating | p. 681 |
| Radiation-Induced Disordering and Dissolution of LRO Precipitates in Disordered Matrix | p. 687 |
| Non-equilibrium Solidification Microstructures in Alloys | p. 693 |
| Variations of Long-Range Order in Ni[subscript 3]Al+B after Deformation by Cold Rolling | p. 699 |
| Surface Disorder and Surface Segregation in Cu[subscript 3]Au: An X-Ray Scattering Study | p. 705 |
| Short Range Order Kinetics in [alpha]-AuFe alter Deformation and Recrystallization | p. 713 |
| Stabilisation and Irreversibility of Martensite in Copper Base Shape Memory Alloys | p. 719 |
| Crystal Structure and Physical Properties of High Pressure Hydrides | p. 725 |
| Invited Lecturers | p. 733 |
| Participants | p. 735 |
| Authors | p. 739 |
| Index | p. 741 |
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