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Table Of Contents

MICROSTRUCTURAL CONSIDERATIONS
2.1 MATERIALS LENGTH SCALES
2.1.1 Experimental Resolution of Material Features
2.2 GRAIN BOUNDARIES IN POLYCRYSTALLINE MATERIALS
2.2.1 Grain-Boundary Orientations
2.2 GRAIN BOUNDARIES IN POLYCRYSTALLINE MATERIALS 61
2.2.2 Dislocation Model of Low Angle Grain Boundaries
2.2.3 Grain-Boundary Energy
2.2.4 Special Types of Low-Energy Grain Boundaries
2.2.5 Grain-Boundary Dynamics
2.3 MATERIALS PROCESSING AND MICROSTRUCTURE
2.3.1 Conventional Solidification
2.3.2 Deformation Processing
2.3.3 Consolidation Processing
2.3.4 Thin-Film Formation
2.4 MICROSTRUCTURE AND MATERIALS PROPERTIES
2.4.1 Mechanical Properties
2.4.2 Transport Properties
2.4.3 Magnetic and Dielectric Properties
2.4.4 Chemical Properties
2.5 MICROSTRUCTURE CONTROL AND DESIGN
PRACTICE PROBLEMS
REFERENCES
CRYSTAL STRUCTURES AND BINDING FORCES
3.1 STRUCTURE DESCRIPTION METHODS
3.1.1 Close Packing
3.1.2 Polyhedra
3.1.3 The Unit Cell
3.1.4 Pearson Symbols
3.2 COHESIVE FORCES IN SOLIDS
3.2.1 Ionic Bonding
3.2.2 Covalent Bonding
3.2.3 Metallic Bonding
3.2.4 Atoms and Bonds as Electron Charge Density
3.3 STRUCTURAL ENERGETICS
3.3.1 Lattice Energy
3.3.2 The Born–Haber Cycle
3.3.3 Goldschmidt’s Rules and Pauling’s Rules
3.3.4 Total Energy
3.4 COMMON STRUCTURE TYPES
3.4.1 Iono-Covalent Solids
3.4.2 Intermetallic Compounds
3.5 STRUCTURAL DISTURBANCES
3.5.1 Intrinsic Point Defects
3.5.2 Extrinsic Point Defects
3.5.3 Structural Distortions
3.5.4 Bond Valence Sum Calculations
3.6 STRUCTURE CONTROL AND SYNTHETIC STRATEGIES
THE ELECTRONIC LEVEL I: AN OVERVIEW OF BAND THEORY
4.1 THE MANY-BODY SCHRO¨ DINGER EQUATION
4.2 BLOCH’S THEOREM
4.3 RECIPROCAL SPACE
4.4 A CHOICE OF BASIS SETS
4.4.1 Plane-Wave Expansion – The Free-Electron Models
4.4.2 The Fermi Surface and Phase Stability
4.4.3 Bloch Sum Basis Set – The LCAO Method
4.5 UNDERSTANDING BAND-STRUCTURE DIAGRAMS
4.6 BREAKDOWN OF THE INDEPENDENT ELECTRON APPROXIMATION
4.6 BREAKDOWN OF THE INDEPENDENT ELECTRON APPROXIMATION 197
5.1 THE GENERAL LCAO METHOD
5.2 EXTENSION OF THE LCAO TREATMENT TO CRYSTALLINE SOLIDS
5.3 ORBITAL INTERACTIONS IN MONATOMIC SOLIDS
5.3.1 s-Bonding Interactions
5.3.2 p-Bonding Interactions
5.4 TIGHT-BINDING ASSUMPTIONS
5.5 QUALITATIVE LCAO BAND STRUCTURES
5.6 TOTAL ENERGY TIGHT-BINDING CALCULATIONS
TRANSPORT PROPERTIES
6.1 AN INTRODUCTION TO TENSORS
6.2 THERMAL CONDUCTIVITY
6.2.1 The Free Electron Contribution
6.2.2 The Phonon Contribution
6.3 ELECTRICAL CONDUCTIVITY
6.3.1 Band Structure Considerations
6.4.1 Atomic Diffusion
6.4.2 Ionic Conduction
METAL–NONMETAL TRANSITIONS
7.1 CORRELATED SYSTEMS
7.1.1 The Mott–Hubbard Insulating State
7.1.2 Charge-Transfer Insulators
7.1.3 Marginal Metals
7.2 ANDERSON LOCALIZATION
7.3 EXPERIMENTALLY DISTINGUISHING DISORDER FROM ELECTRON CORRELATION
7.4 TUNING THE M–NM TRANSITION
7.5 OTHER TYPES OF ELECTRONIC TRANSITIONS
MAGNETIC AND DIELECTRIC PROPERTIES
8.1 PHENOMENOLOGICAL DESCRIPTION OF MAGNETIC BEHAVIOR
8.1 PHENOMENOLOGICAL DESCRIPTION OF MAGNETIC BEHAVIOR 313
8.1.1 Magnetization Curves
8.1.2 Susceptibility Curves
8.2 ATOMIC STATES AND TERM SYMBOLS OF FREE IONS
8.3 ATOMIC ORIGIN OF PARAMAGNETISM
8.3.3 Total Magnetic Moment – The Free Ion Case
8.3.4 Spin–Orbit Coupling – The Free Ion Case
8.3.5 Single Ions in Crystals
8.3.6 Solids
8.4 DIAMAGNETISM
8.5 SPONTANEOUS MAGNETIC ORDERING
8.5.1 Exchange Interactions
8.5.2 Itinerant Ferromagnetism
8.6 MAGNETOTRANSPORT PROPERTIES
8.6.1 The Double Exchange Mechanism
8.6.2 The Half-Metallic Ferromagnet Model
8.7 MAGNETOSTRICTION
8.8 DIELECTRIC PROPERTIES
8.8.1 The Microscopic Equations
8.8.2 Piezoelectricity
8.8.3 Pyroelectricity
8.8.4 Ferroelectricity
OPTICAL PROPERTIES OF MATERIALS
9.1 MAXWELL’S EQUATIONS
9.2 REFRACTIVE INDEX
9.3 ABSORPTION
9.4 NONLINEAR EFFECTS
9.5 SUMMARY
MECHANICAL PROPERTIES
10.1 STRESS AND STRAIN
10.2 ELASTICITY
10.2.1 The Elasticity Tensor
10.2.2 Elastically Isotropic Solids
10.3 PLASTICITY
10.3.1 The Dislocation-Based Mechanism to Plastic Deformation
10.3.2 Polycrystalline Metals
10.3.3 Brittle and Semibrittle Solids
11.1.1 Equilibrium Thermodynamics
11.2 THERMODYNAMIC POTENTIALS AND THE LAWS
11.3 UNDERSTANDING PHASE DIAGRAMS
11.3.1 Unary Systems
11.3.2 Binary Metallurgical Systems
11.3.3 Binary Nonmetallic Systems
11.3.4 Ternary Condensed Systems
11.3.5 Metastable Equilibria
11.4 EXPERIMENTAL PHASE-DIAGRAM DETERMINATIONS
11.5 PHASE-DIAGRAM MODELING
11.5.3 Other Contributions to the Gibbs Energy
SYNTHETIC STRATEGIES
12.1 SYNTHETIC STRATEGIES
12.1.1 Direct Combination
12.1.2 Low Temperature
12.1.3 Defects
12.1.4 Combinatorial Synthesis
12.1.5 Spinodal Decomposition
12.1.6 Thin Films
12.1.7 Photonic Materials
12.1.8 Nanosynthesis
12.2 SUMMARY
AN INTRODUCTION TO NANOMATERIALS
13.1 HISTORY OF NANOTECHNOLOGY
13.2 NANOMATERIALS PROPERTIES
13.2.1 Electrical Properties
13.2.2 Magnetic Properties
13.2.3 Optical Properties
13.2.4 Thermal Properties
13.2.5 Mechanical Properties
13.2.6 Chemical Reactivity
P. 1
Principles of Inorganic Materials Design

Principles of Inorganic Materials Design

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Published by Wiley
Unique interdisciplinary approach enables readers to overcome complex design challenges

Integrating concepts from chemistry, physics, materials science, metallurgy, and ceramics, Principles of Inorganic Materials Design, Second Edition offers a unique interdisciplinary approach that enables readers to grasp the complexities of inorganic materials. The book provides a solid foundation in the principles underlying the design of inorganic materials and then offers the guidance and tools needed to create specific materials with desired macroscopic properties.

Principles of Inorganic Materials Design, Second Edition begins with an introduction to structure at the microscopic level and then progresses to smaller-length scales. Next, the authors explore both phenomenological and atomistic-level descriptions of transport properties, the metal?nonmetal transition, magnetic and dielectric properties, optical properties, and mechanical properties. Lastly, the book covers phase equilibria, synthesis, and nanomaterials.

Special features include:

Introduction to the CALPHAD method, an important, but often overlooked topic

More worked examples and new end-of-chapter problems to help ensure mastery of the concepts

Extensive references to the literature for more in-depth coverage of particular topics

Biographies introducing twentieth-century pioneers in the field of inorganic materials science

This Second Edition has been thoroughly revised and updated, incorporating the latest findings and featuring expanded discussions of such key topics as microstructural aspects, density functional theory, dielectric properties, mechanical properties, and nanomaterials.

Armed with this text, students and researchers in inorganic and physical chemistry, physics, materials science, and engineering will be equipped to overcome today's complex design challenges. This textbook is recommended for senior-level undergraduate and graduate course work.

Unique interdisciplinary approach enables readers to overcome complex design challenges

Integrating concepts from chemistry, physics, materials science, metallurgy, and ceramics, Principles of Inorganic Materials Design, Second Edition offers a unique interdisciplinary approach that enables readers to grasp the complexities of inorganic materials. The book provides a solid foundation in the principles underlying the design of inorganic materials and then offers the guidance and tools needed to create specific materials with desired macroscopic properties.

Principles of Inorganic Materials Design, Second Edition begins with an introduction to structure at the microscopic level and then progresses to smaller-length scales. Next, the authors explore both phenomenological and atomistic-level descriptions of transport properties, the metal?nonmetal transition, magnetic and dielectric properties, optical properties, and mechanical properties. Lastly, the book covers phase equilibria, synthesis, and nanomaterials.

Special features include:

Introduction to the CALPHAD method, an important, but often overlooked topic

More worked examples and new end-of-chapter problems to help ensure mastery of the concepts

Extensive references to the literature for more in-depth coverage of particular topics

Biographies introducing twentieth-century pioneers in the field of inorganic materials science

This Second Edition has been thoroughly revised and updated, incorporating the latest findings and featuring expanded discussions of such key topics as microstructural aspects, density functional theory, dielectric properties, mechanical properties, and nanomaterials.

Armed with this text, students and researchers in inorganic and physical chemistry, physics, materials science, and engineering will be equipped to overcome today's complex design challenges. This textbook is recommended for senior-level undergraduate and graduate course work.

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Publish date: Feb 12, 2010
Added to Scribd: Jun 04, 2013
Copyright:Traditional Copyright: All rights reservedISBN:9780470567531
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