Stability of Materials

Front Cover
A. Gonis, Josef Kudrnovskı, Patrice E.A. Turchi
Springer Science & Business Media, Dec 6, 2012 - Science - 742 pages
Engineering materials with desirable physical and technological properties requires understanding and predictive capability of materials behavior under varying external conditions, such as temperature and pressure. This immediately brings one face to face with the fundamental difficulty of establishing a connection between materials behavior at a microscopic level, where understanding is to be sought, and macroscopic behavior which needs to be predicted. Bridging the corresponding gap in length scales that separates the ends of this spectrum has been a goal intensely pursued by theoretical physicists, experimentalists, and metallurgists alike. Traditionally, the search for methods to bridge the length scale gap and to gain the needed predictive capability of materials properties has been conducted largely on a trial and error basis, guided by the skill of the metallurgist, large volumes of experimental data, and often ad hoc semi phenomenological models. This situation has persisted almost to this day, and it is only recently that significant changes have begun to take place. These changes have been brought about by a number of developments, some of long standing, others of more recent vintage.
 

What people are saying - Write a review

We haven't found any reviews in the usual places.

Contents

Invited papers
3
Continuum DiffuseInterface Model for Modeling Microstructural Stability
37
Atomistic Studies of the Structure of Grain Boundaries and Dislocations
53
Experiment Theory and Simulation
99
Computer Simulation of Fracture Dislocations and Martensitic Transformations in Solids
137
Contributed papers
165
Surface Ordering and Surface Segregation in Binary Alloys
173
Relaxed Monte Carlo Simulations on AuNi Alloy
179
Energetics of the Light Actinides in a Full Charge Density Scheme
393
Impurity Effects on Bonding Charge in Ni3Al
401
Electronic Structure of Stacking Faults in Pd 1xCux Pd 1xAgx and Ag1xAux Alloys
407
Effects of Boron and Sulfur on the Ideal Yield Stress of Ni3Al A FirstPrinciples
413
AbInitio Calculation of the Lattice Relaxation in Dilute Alloys
419
Prediction of Lattice Vibrations in Metastable and Unstable Transition Metal
425
Itinerant Magnetism of 001 Surfaces of Random NickelCopper and IronVanadium
431
Calculation of Spontaneous Resistance Anisotropy of Disordered Ferromagnetic
437

Continuous Monte Carlo Simulation of Surfaces and of Interfaces of Mismatched
185
Kinetics at Early Stages of Phase Separation and Ordering in Alloys
191
Kinetic Path for DisorderL12 Transition Studied by the PPM
205
Investigation of HH DD and H DN Interactions in Nb and Ta by Means
211
A Molecular Dynamics Simulation of Vibrational Properties and Diffusion
217
The OrderDisorder Transition at a X17 Tilt Boundary in Cu3Au
223
Monte Carlo Simulation of MBE Growth of GaAs Analysis of RHEED
229
Invited papers
237
Electronic Structure and Physical Properties
265
Contributed papers
325
Contributions to the Total Energy of Random Alloys
333
Competing Mechanisms for Ordering Tendencies in BCCCuAuZn2 and FCC AuFe
339
A Novel Full Potential Contracted Plane Wave FCPW Method for Electronic Structure
347
Effective Ising Hamiltonian for Surfaces of Metallic Alloys
355
The Influence of QuasiParticle Lifetimes and Electronic Topological Transitions on
361
Electronic Structure and Stability of AlGe Alloys Under Pressure
367
Prediction of Unsuspected Ordering Tendencies in PdPt and RhPt Alloys
375
Energetic Effects in the AuNi System
381
Electronic Topological Transitions and Phase Stability in AgPd and CuPt Alloys
387
AbInitio Based Atomistic Potentials and Application to Metallic Surface
443
On the Role of NonPair Potential Terms in Semiempirical QuantumMechanical
449
A Comparative Ab Initio Study of Small Si and C Clusters
455
Brillouin Zone Concept and Crystal Symmetry of Intermetallic High Pressure
465
Invited papers
473
Dislocations and the Plasticity of Crystals
509
Mechanical Properties of TiAl and TiålBase Alloys
547
StructureProperty Relationship of MetalCeramic Interfaces
581
Stability and Instability of Crystalline and Amorphous Phases at High Pressure
615
Contributed papers
645
Cyclic Creep Deformation Characteristics of Single Crystal of Nickel Base Superalloy
663
The Effect of Alloying Additions on the Interfacial Interactions at the FeAl
681
Variations of LongRange Order in Ni3Al3+B after Deformation by ColdRolling
699
ShortRange Order Kinetics in oAuFe after Deformation and Recrystallization
713
Crystal Structure and Physical Properties of High Pressure Hydrides
725
Invited Lecturers
733
Index
741
Copyright

Other editions - View all

Common terms and phrases