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Publisher Summary 1
Typically, students of materials science were required to take an elementary chemistry course, say Chemists Lalena (Evergreen State College, Washington and U. of Maryland-Europe) and Cleary (Gonzaga U., Washington), but any further chemistry was taught in the context of one or another course in materials. Over the past couple decades, however, new materials development has relied ever more heavily on synthetic chemistry, and they decided that materials students could use a course specifically on the fundamentals of designing materials through synthetic chemistry. This text is designed for such a course at the undergraduate level, and the second edition not only been updated and expanded, but corrected. The number of worked examples has been increased, and answers appended for selected chapter-end problems. No date is noted for the first. Annotation 漏2010 Book News, Inc., Portland, OR (booknews.com)
Publisher Summary 2
Unique interdisciplinary approach enables readers to overcome complex design challengesIntegrating concepts from chemistry, physics, materials science, metallurgy, and ceramics, Principles of Inorganic Materials Design, Second Editionoffers 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 Editionbegins 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 topicMore worked examples and new end-of-chapter problems to help ensure mastery of the conceptsExtensive references to the literature for more in-depth coverage of particular topicsBiographies introducing twentieth-century pioneers in the field of inorganic materials scienceThis Second Editionhas 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.
目录
CONTENTS 7
FOREWORD TO SECOND EDITION 15
FOREWORD TO FIRST EDITION 17
PREFACE TO SECOND EDITION 21
PREFACE TO FIRST EDITION 23
ACRONYMS 25
1 CRYSTALLOGRAPHIC CONSIDERATIONS 29
1.1 Degrees of Crystallinity 30
1.1.1 Monocrystalline Solids 30
1.1.2 Quasicrystalline Solids 31
1.1.3 Polycrystalline Solids 33
1.1.4 Semicrystalline Solids 33
1.1.5 Amorphous Solids 36
1.2 Basic Crystallography 37
1.2.1 Space Lattice Geometry 37
1.3 Single Crystal Morphology and its Relationship to Lattice Symmetry 59
1.4 Twinned Crystals 64
1.5 Crystallographic Orientation Relationships in Bicrystals 66
1.5.1 The Coincidence Site Lattice 66
1.5.2 Equivalent Axis-Angle Pairs 71
1.6 Amorphous Solids and Glasses 73
Practice Problems 78
References 80
2 MICROSTRUCTURAL CONSIDERATIONS 83
2.1 Materials Length Scales 84
2.1.1 Experimental Resolution of Material Features 87
2.2 Grain Boundaries in Polycrystalline Materials 89
2.2.1 Grain-Boundary Orientations 89
2.2.2 Dislocation Model of Low Angle Grain Boundaries 91
2.2.3 Grain-Boundary Energy 93
2.2.4 Special Types of Low-Energy Grain Boundaries 94
2.2.5 Grain-Boundary Dynamics 95
2.2.6 Representing Orientation Distributions in Polycrystalline Aggregates 95
2.3 Materials Processing and Microstructure 98
2.3.1 Conventional Solidification 98
2.3.2 Deformation Processing 106
2.3.3 Consolidation Processing 106
2.3.4 Thin-Film Formation 107
2.4 Microstructure and Materials Properties 110
2.4.1 Mechanical Properties 111
2.4.2 Transport Properties 112
2.4.3 Magnetic and Dielectric Properties 116
2.4.4 Chemical Properties 118
2.5 Microstructure Control and Design 118
Practice Problems 121
References 122
3 CRYSTAL STRUCTURES AND BINDING FORCES 125
3.1 Structure Description Methods 125
3.1.1 Close Packing 126
3.1.2 Polyhedra 129
3.1.3 The Unit Cell 131
3.1.4 Pearson Symbols 131
3.2 Cohesive Forces in Solids 131
3.2.1 Ionic Bonding 131
3.2.2 Covalent Bonding 134
3.2.3 Metallic Bonding 137
3.2.4 Atoms and Bonds as Electron Charge Density 138
3.3 Structural Energetics 139
3.3.1 Lattice Energy 140
3.3.2 The Born\u2013Haber Cycle 145
3.3.3 Goldschmidt\u2019s Rules and Pauling\u2019s Rules 146
3.3.4 Total Energy 148
3.3.5 Electronic Origin of Coordination Polyhedra in Covalent Crystals 150
3.4 Common Structure Types 155
3.4.1 Iono-Covalent Solids 155
3.4.2 Intermetallic Compounds 172
3.5 Structural Disturbances 181
3.5.1 Intrinsic Point Defects 182
3.5.2 Extrinsic Point Defects 184
3.5.3 Structural Distortions 185
3.5.4 Bond Valence Sum Calculations 188
3.6 Structure Control and Synthetic Strategies 191
Practice Problems 195
References 197
4 THE ELECTRONIC LEVEL I: AN OVERVIEW OF BAND THEORY 203
4.1 The Many-Body Schr枚dinger Equation 204
4.2 Bloch\u2019s Theorem 207
4.3 Reciprocal Space 212
4.4 A Choice of Basis Sets 215
4.4.1 Plane-Wave Expansion \u2013 The Free-Electron Models 216
4.4.2 The Fermi Surface and Phase Stability 217
4.4.3 Bloch Sum Basis Set \u2013 The LCAO Method 220
4.5 Understanding Band-Structure Diagrams 221
4.6 Breakdown of the Independent Electron Approximation 225
4.7 Density Functional Theory \u2013 The Successor to the Hartree\u2013Fock Approach 226
Practice Problems 227
References 229
5 THE ELECTRONIC LEVEL II: THE TIGHT-BINDING ELECTRONIC STRUCTURE APPROXIMATION 231
5.1 The General LCAO Method 232
5.2 Extension of the LCAO Treatment to Crystalline Solids 238
5.3 Orbital Interactions in Monatomic Solids 241
5.3.1 蟽-Bonding Interactions 241
5.3.2 蟺-Bonding Interactions 245
5.4 Tight-Binding Assumptions 249
5.5 Qualitative LCAO Band Structures 251
5.5.1 Illustration 1: Transition Metal Oxides with Vertex-Sharing Octahedra 256
5.5.2 Illustration 2: Reduced Dimensional Systems 259
5.5.3 Illustration 3: Transition Metal Monoxides with Edge-Sharing Octahedra 261
5.5.4 Corollary 265
5.6 Total Energy Tight-Binding Calculations 266
Practice Problems 267
References 268
6 TRANSPORT PROPERTIES 269
6.1 An Introduction to Tensors 269
6.2 Thermal Conductivity 276
6.2.1 The Free Electron Contribution 277
6.2.2 The Phonon Contribution 279
6.3 Electrical Conductivity 282
6.3.1 Band Structure Considerations 286
6.3.2 Thermoelectric, Photovoltaic, and Magnetotransport Properties 291
6.4 Mass Transport 300
6.4.1 Atomic Diffusion 301
6.4.2 Ionic Conduction 308
Practice Problems 309
References 310
7 METAL\u2013NONMETAL TRANSITIONS 313
7.1 Correlated Systems 315
7.1.1 The Mott\u2013Hubbard Insulating State 317
7.1.2 Charge-Transfer Insulators 321
7.1.3 Marginal Metals 321
7.2 Anderson Localization 323
7.3 Experimentally Distinguishing Disorder from Electron Correlation 327
7.4 Tuning the M\u2013NM Transition 330
7.5 Other Types of Electronic Transitions 333
Practice Problems 335
References 336
8 MAGNETIC AND DIELECTRIC PROPERTIES 339
8.1 Phenomenological Description of Magnetic Behavior 341
8.1.1 Magnetization Curves 344
8.1.2 Susceptibility Curves 345
8.2 Atomic States and Term Symbols of Free Ions 347
8.3 Atomic Origin of Paramagnetism 353
8.3.1 Orbital Angular Momentum Contribution \u2013 The Free Ion Case 354
8.3.2 Spin Angular Momentum Contribution \u2013 The Free Ion Case 355
8.3.3 Total Magnetic Moment \u2013 The Free Ion Case 356
8.3.4 Spin\u2013Orbit Coupling \u2013 The Free Ion Case 357
8.3.5 Single Ions in Crystals 358
8.3.6 Solids 364
8.4 Diamagnetism 367
8.5 Spontaneous Magnetic Ordering 367
8.5.1 Exchange Interactions 369
8.5.2 Itinerant Ferromagnetism 378
8.5.3 Noncolinear Spin Configurations and Magnetocrystalline Anisotropy 381
8.6 Magnetotransport Properties 387
8.6.1 The Double Exchange Mechanism 389
8.6.2 The Half-Metallic Ferromagnet Model 389
8.7 Magnetostriction 391
8.8 Dielectric Properties 392
8.8.1 The Microscopic Equations 393
8.8.2 Piezoelectricity 395
8.8.3 Pyroelectricity 398
8.8.4 Ferroelectricity 399
Practice Problems 400
References 401
9 OPTICAL PROPERTIES OF MATERIALS 405
9.1 Maxwell\u2019s Equations 405
9.2 Refractive Index 409
9.3 Absorption 418
9.4 Nonlinear Effects 423
9.5 Summary 428
Practice Problems 428
References 429
10 MECHANICAL PROPERTIES 431
10.1 Stress and Strain 432
10.2 Elasticity 435
10.2.1 The Elasticity Tensor 436
10.2.2 Elastically Isotropic Solids 441
10.2.3 The Relation Between Elasticity and the Cohesive Forces in a Solid 449
10.2.4 Superelasticity, Pseudoelasticity, and the Shape Memory Effect 458
10.3 Plasticity 461
10.3.1 The Dislocation-Based Mechanism to Plastic Deformation 467
10.3.2 Polycrystalline Metals 475
10.3.3 Brittle and Semibrittle Solids 476
10.3.4 The Correlation Between the Electronic Structure and the Plasticity of Materials 478
10.4 Fracture 479
Practice Problems 482
References 484
11 PHASE EQUILIBRIA, PHASE DIAGRAMS, AND PHASE MODELING 489
11.1 Thermodynamic Systems and Equilibrium 490
11.1.1 Equilibrium Thermodynamics 493
11.2 Thermodynamic Potentials and the Laws 497
11.3 Understanding Phase Diagrams 500
11.3.1 Unary Systems 500
11.3.2 Binary Metallurgical Systems 500
11.3.3 Binary Nonmetallic Systems 505
11.3.4 Ternary Condensed Systems 506
11.3.5 Metastable Equilibria 511
11.4 Experimental Phase-Diagram Determinations 512
11.5 Phase-Diagram Modeling 513
11.5.1 Gibbs Energy Expressions for Mixtures and Solid Solutions 513
11.5.2 Gibbs Energy Expressions for Phases with Long-Range Order 516
11.5.3 Other Contributions to the Gibbs Energy 521
11.5.4 Phase Diagram Extrapolations \u2013 the CALPHAD Method 522
Practice Problems 526
References 527
12 SYNTHETIC STRATEGIES 529
12.1 Synthetic Strategies 530
12.1.1 Direct Combination 531
12.1.2 Low Temperature 532
12.1.3 Defects 540
12.1.4 Combinatorial Synthesis 542
12.1.5 Spinodal Decomposition 542
12.1.6 Thin Films 545
12.1.7 Photonic Materials 547
12.1.8 Nanosynthesis 549
12.2 Summary 554
Practice Problems 554
References 556
13 AN INTRODUCTION TO NANOMATERIALS 559
13.1 History of Nanotechnology 560
13.2 Nanomaterials Properties 562
13.2.1 Electrical Properties 563
13.2.2 Magnetic Properties 564
13.2.3 Optical Properties 565
13.2.4 Thermal Properties 566
13.2.5 Mechanical Properties 566
13.2.6 Chemical Reactivity 567
13.3 More on Nanomaterials Preparative Techniques 569
13.3.1 Top-Down Methods for the Fabrication of Nanocrystalline Materials 570
13.3.2 Bottom-Up Methods for the Synthesis of Nanostructured Solids 572
References 584
APPENDIX 1 587
APPENDIX 2 593
APPENDIX 3 597
INDEX 603
FOREWORD TO SECOND EDITION 15
FOREWORD TO FIRST EDITION 17
PREFACE TO SECOND EDITION 21
PREFACE TO FIRST EDITION 23
ACRONYMS 25
1 CRYSTALLOGRAPHIC CONSIDERATIONS 29
1.1 Degrees of Crystallinity 30
1.1.1 Monocrystalline Solids 30
1.1.2 Quasicrystalline Solids 31
1.1.3 Polycrystalline Solids 33
1.1.4 Semicrystalline Solids 33
1.1.5 Amorphous Solids 36
1.2 Basic Crystallography 37
1.2.1 Space Lattice Geometry 37
1.3 Single Crystal Morphology and its Relationship to Lattice Symmetry 59
1.4 Twinned Crystals 64
1.5 Crystallographic Orientation Relationships in Bicrystals 66
1.5.1 The Coincidence Site Lattice 66
1.5.2 Equivalent Axis-Angle Pairs 71
1.6 Amorphous Solids and Glasses 73
Practice Problems 78
References 80
2 MICROSTRUCTURAL CONSIDERATIONS 83
2.1 Materials Length Scales 84
2.1.1 Experimental Resolution of Material Features 87
2.2 Grain Boundaries in Polycrystalline Materials 89
2.2.1 Grain-Boundary Orientations 89
2.2.2 Dislocation Model of Low Angle Grain Boundaries 91
2.2.3 Grain-Boundary Energy 93
2.2.4 Special Types of Low-Energy Grain Boundaries 94
2.2.5 Grain-Boundary Dynamics 95
2.2.6 Representing Orientation Distributions in Polycrystalline Aggregates 95
2.3 Materials Processing and Microstructure 98
2.3.1 Conventional Solidification 98
2.3.2 Deformation Processing 106
2.3.3 Consolidation Processing 106
2.3.4 Thin-Film Formation 107
2.4 Microstructure and Materials Properties 110
2.4.1 Mechanical Properties 111
2.4.2 Transport Properties 112
2.4.3 Magnetic and Dielectric Properties 116
2.4.4 Chemical Properties 118
2.5 Microstructure Control and Design 118
Practice Problems 121
References 122
3 CRYSTAL STRUCTURES AND BINDING FORCES 125
3.1 Structure Description Methods 125
3.1.1 Close Packing 126
3.1.2 Polyhedra 129
3.1.3 The Unit Cell 131
3.1.4 Pearson Symbols 131
3.2 Cohesive Forces in Solids 131
3.2.1 Ionic Bonding 131
3.2.2 Covalent Bonding 134
3.2.3 Metallic Bonding 137
3.2.4 Atoms and Bonds as Electron Charge Density 138
3.3 Structural Energetics 139
3.3.1 Lattice Energy 140
3.3.2 The Born\u2013Haber Cycle 145
3.3.3 Goldschmidt\u2019s Rules and Pauling\u2019s Rules 146
3.3.4 Total Energy 148
3.3.5 Electronic Origin of Coordination Polyhedra in Covalent Crystals 150
3.4 Common Structure Types 155
3.4.1 Iono-Covalent Solids 155
3.4.2 Intermetallic Compounds 172
3.5 Structural Disturbances 181
3.5.1 Intrinsic Point Defects 182
3.5.2 Extrinsic Point Defects 184
3.5.3 Structural Distortions 185
3.5.4 Bond Valence Sum Calculations 188
3.6 Structure Control and Synthetic Strategies 191
Practice Problems 195
References 197
4 THE ELECTRONIC LEVEL I: AN OVERVIEW OF BAND THEORY 203
4.1 The Many-Body Schr枚dinger Equation 204
4.2 Bloch\u2019s Theorem 207
4.3 Reciprocal Space 212
4.4 A Choice of Basis Sets 215
4.4.1 Plane-Wave Expansion \u2013 The Free-Electron Models 216
4.4.2 The Fermi Surface and Phase Stability 217
4.4.3 Bloch Sum Basis Set \u2013 The LCAO Method 220
4.5 Understanding Band-Structure Diagrams 221
4.6 Breakdown of the Independent Electron Approximation 225
4.7 Density Functional Theory \u2013 The Successor to the Hartree\u2013Fock Approach 226
Practice Problems 227
References 229
5 THE ELECTRONIC LEVEL II: THE TIGHT-BINDING ELECTRONIC STRUCTURE APPROXIMATION 231
5.1 The General LCAO Method 232
5.2 Extension of the LCAO Treatment to Crystalline Solids 238
5.3 Orbital Interactions in Monatomic Solids 241
5.3.1 蟽-Bonding Interactions 241
5.3.2 蟺-Bonding Interactions 245
5.4 Tight-Binding Assumptions 249
5.5 Qualitative LCAO Band Structures 251
5.5.1 Illustration 1: Transition Metal Oxides with Vertex-Sharing Octahedra 256
5.5.2 Illustration 2: Reduced Dimensional Systems 259
5.5.3 Illustration 3: Transition Metal Monoxides with Edge-Sharing Octahedra 261
5.5.4 Corollary 265
5.6 Total Energy Tight-Binding Calculations 266
Practice Problems 267
References 268
6 TRANSPORT PROPERTIES 269
6.1 An Introduction to Tensors 269
6.2 Thermal Conductivity 276
6.2.1 The Free Electron Contribution 277
6.2.2 The Phonon Contribution 279
6.3 Electrical Conductivity 282
6.3.1 Band Structure Considerations 286
6.3.2 Thermoelectric, Photovoltaic, and Magnetotransport Properties 291
6.4 Mass Transport 300
6.4.1 Atomic Diffusion 301
6.4.2 Ionic Conduction 308
Practice Problems 309
References 310
7 METAL\u2013NONMETAL TRANSITIONS 313
7.1 Correlated Systems 315
7.1.1 The Mott\u2013Hubbard Insulating State 317
7.1.2 Charge-Transfer Insulators 321
7.1.3 Marginal Metals 321
7.2 Anderson Localization 323
7.3 Experimentally Distinguishing Disorder from Electron Correlation 327
7.4 Tuning the M\u2013NM Transition 330
7.5 Other Types of Electronic Transitions 333
Practice Problems 335
References 336
8 MAGNETIC AND DIELECTRIC PROPERTIES 339
8.1 Phenomenological Description of Magnetic Behavior 341
8.1.1 Magnetization Curves 344
8.1.2 Susceptibility Curves 345
8.2 Atomic States and Term Symbols of Free Ions 347
8.3 Atomic Origin of Paramagnetism 353
8.3.1 Orbital Angular Momentum Contribution \u2013 The Free Ion Case 354
8.3.2 Spin Angular Momentum Contribution \u2013 The Free Ion Case 355
8.3.3 Total Magnetic Moment \u2013 The Free Ion Case 356
8.3.4 Spin\u2013Orbit Coupling \u2013 The Free Ion Case 357
8.3.5 Single Ions in Crystals 358
8.3.6 Solids 364
8.4 Diamagnetism 367
8.5 Spontaneous Magnetic Ordering 367
8.5.1 Exchange Interactions 369
8.5.2 Itinerant Ferromagnetism 378
8.5.3 Noncolinear Spin Configurations and Magnetocrystalline Anisotropy 381
8.6 Magnetotransport Properties 387
8.6.1 The Double Exchange Mechanism 389
8.6.2 The Half-Metallic Ferromagnet Model 389
8.7 Magnetostriction 391
8.8 Dielectric Properties 392
8.8.1 The Microscopic Equations 393
8.8.2 Piezoelectricity 395
8.8.3 Pyroelectricity 398
8.8.4 Ferroelectricity 399
Practice Problems 400
References 401
9 OPTICAL PROPERTIES OF MATERIALS 405
9.1 Maxwell\u2019s Equations 405
9.2 Refractive Index 409
9.3 Absorption 418
9.4 Nonlinear Effects 423
9.5 Summary 428
Practice Problems 428
References 429
10 MECHANICAL PROPERTIES 431
10.1 Stress and Strain 432
10.2 Elasticity 435
10.2.1 The Elasticity Tensor 436
10.2.2 Elastically Isotropic Solids 441
10.2.3 The Relation Between Elasticity and the Cohesive Forces in a Solid 449
10.2.4 Superelasticity, Pseudoelasticity, and the Shape Memory Effect 458
10.3 Plasticity 461
10.3.1 The Dislocation-Based Mechanism to Plastic Deformation 467
10.3.2 Polycrystalline Metals 475
10.3.3 Brittle and Semibrittle Solids 476
10.3.4 The Correlation Between the Electronic Structure and the Plasticity of Materials 478
10.4 Fracture 479
Practice Problems 482
References 484
11 PHASE EQUILIBRIA, PHASE DIAGRAMS, AND PHASE MODELING 489
11.1 Thermodynamic Systems and Equilibrium 490
11.1.1 Equilibrium Thermodynamics 493
11.2 Thermodynamic Potentials and the Laws 497
11.3 Understanding Phase Diagrams 500
11.3.1 Unary Systems 500
11.3.2 Binary Metallurgical Systems 500
11.3.3 Binary Nonmetallic Systems 505
11.3.4 Ternary Condensed Systems 506
11.3.5 Metastable Equilibria 511
11.4 Experimental Phase-Diagram Determinations 512
11.5 Phase-Diagram Modeling 513
11.5.1 Gibbs Energy Expressions for Mixtures and Solid Solutions 513
11.5.2 Gibbs Energy Expressions for Phases with Long-Range Order 516
11.5.3 Other Contributions to the Gibbs Energy 521
11.5.4 Phase Diagram Extrapolations \u2013 the CALPHAD Method 522
Practice Problems 526
References 527
12 SYNTHETIC STRATEGIES 529
12.1 Synthetic Strategies 530
12.1.1 Direct Combination 531
12.1.2 Low Temperature 532
12.1.3 Defects 540
12.1.4 Combinatorial Synthesis 542
12.1.5 Spinodal Decomposition 542
12.1.6 Thin Films 545
12.1.7 Photonic Materials 547
12.1.8 Nanosynthesis 549
12.2 Summary 554
Practice Problems 554
References 556
13 AN INTRODUCTION TO NANOMATERIALS 559
13.1 History of Nanotechnology 560
13.2 Nanomaterials Properties 562
13.2.1 Electrical Properties 563
13.2.2 Magnetic Properties 564
13.2.3 Optical Properties 565
13.2.4 Thermal Properties 566
13.2.5 Mechanical Properties 566
13.2.6 Chemical Reactivity 567
13.3 More on Nanomaterials Preparative Techniques 569
13.3.1 Top-Down Methods for the Fabrication of Nanocrystalline Materials 570
13.3.2 Bottom-Up Methods for the Synthesis of Nanostructured Solids 572
References 584
APPENDIX 1 587
APPENDIX 2 593
APPENDIX 3 597
INDEX 603
- 名称
- 类型
- 大小
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