Principles of inorganic materials design:
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Hoboken, N.J.
Wiley
2010
|
| Edition: | 2. ed. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XXVI, 585 S. Ill., graph. Darst. |
| ISBN: | 9780470404034 |
Staff View
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Record in the Search Index
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|---|---|
| adam_text | Titel: Principles of inorganic materials design
Autor: Lalena, John N.
Jahr: 2010
CONTENTS
FOREWORD TO SECOND EDITION xiii
FOREWORD TO FIRST EDITION xv
PREFACE TO SECOND EDITION xix
PREFACE TO FIRST EDITION xxi
ACRONYMS xxiii
1 CRYSTALLOGRAPHIC CONSIDERATIONS 1
1.1 Degrees of Crystallinity 1.1.1 Monocrystalline Solids 1.1.2 Quasicrystalline Solids 2 2 3
1.1.3 Polycrystalline Solids 1.1.4 Semicrystalline Solids 5 5
1.1.5 Amorphous Solids 1.2 Basic Crystallography 1.2.1 Space Lattice Geometry 1.3 Single Crystal Morphology and its Relationship to Lattice Symmetry 1.4 Twinned Crystals 8 9 9 31 36
1.5 Crystallographic Orientation Relationships in Bicrystals 38
1.5.1 The Coincidence Site Lattice 38
1.5.2 Equivalent Axis-Angle Pairs 43
1.6 Amorphous Solids and Glasses 45
Practice Problems 50
References 52
Vi CONTENTS
2 MICROSTRUCTURAL CONSIDERATIONS 55
2.1 Materials Length Scales 56
2.1.1 Experimental Resolution of Material Features 59
2.2 Grain Boundaries in Polycrystalline Materials 61
2.2.1 Grain-Boundary Orientations 61
2.2.2 Dislocation Model of Low Angle Grain Boundaries 63
2.2.3 Grain-Boundary Energy 65
2.2.4 Special Types of Low-Energy Grain Boundaries 66
2.2.5 Grain-Boundary Dynamics 67
2.2.6 Representing Orientation Distributions in Polycrystalline
Aggregates 67
2.3 Materials Processing and Microstructure 70
2.3.1 Conventional Solidification 70
2.3.2 Deformation Processing 78
2.3.3 Consolidation Processing 78
2.3.4 Thin-Film Formation 79
2.4 Microstructure and Materials Properties 82
2.4.1 Mechanical Properties 83
2.4.2 Transport Properties 84
2.4.3 Magnetic and Dielectric Properties 88
2.4.4 Chemical Properties 90
2.5 Microstructure Control and Design 90
Practice Problems 93
References 94
3 CRYSTAL STRUCTURES AND BINDING FORCES 97
3.1 Structure Description Methods 97
3.1.1 Close Packing 98
3.1.2 Polyhedra 101
3.1.3 The Unit Cell 103
3.1.4 Pearson Symbols 103
3.2 Cohesive Forces in Solids 103
3.2.1 Ionic Bonding 103
3.2.2 Covalent Bonding 106
3.2.3 Metallic Bonding 109
3.2.4 Atoms and Bonds as Electron Charge Density 110
CONTENTS VH
3.3 Structural Energetics 111
3.3.1 Lattice Energy 112
3.3.2 The Born-Haber Cycle 117
3.3.3 Goldschmidt s Rules and Pauling s Rules 118
3.3.4 Total Energy 120
3.3.5 Electronic Origin of Coordination Polyhedra in
Covalent Crystals 122
3.4 Common Structure Types 127
3.4.1 Iono-Covalent Solids 127
3.4.2 Intermetallic Compounds 144
3.5 Structural Disturbances 153
3.5.1 Intrinsic Point Defects 154
3.5.2 Extrinsic Point Defects 156
3.5.3 Structural Distortions 157
3.5.4 Bond Valence Sum Calculations 160
3.6 Structure Control and Synthetic Strategies 163
Prac Refe tice Problems rences 167 169
4 THE ELECTRONIC LEVEL I: AN OVERVIEW OF BAND THEORY 175
4.1 The Many-Body Schrodinger Equation 176
4.2 Bloch s Theorem 179
4.3 Reciprocal Space 184
4.4 A Choice of Basis Sets 187
4.4.1 Plane-Wave Expansion - The Free-Electron Models 188
4.4.2 The Fermi Surface and Phase Stability 189
4.4.3 Bloch Sum Basis Set - The LCAO Method 192
4.5 Understanding Band-Structure Diagrams 193
4.6 Breakdown of the Independent Electron Approximation 197
4.7 Density Functional Theory - The Successor to the Hartree-Fock
Approach 198
Practice Problems 199
References 201
5 THE ELECTRONIC LEVEL II: THE TIGHT-BINDING
ELECTRONIC STRUCTURE APPROXIMATION 203
5.1 The General LCAO Method 204
5.2 Extension of the LCAO Treatment to Crystalline Solids 210
viii CONTENTS
5.3 Orbital Interactions in Monatomic Solids 213
5.3.1 r-Bonding Interactions 213
5.3.2 ir-Bonding Interactions 217
5.4 Tight-Binding Assumptions 221
5.5 Qualitative LCAO Band Structures 223
5.5.1 Illustration 1: Transition Metal Oxides with Vertex-Sharing
Octahedra 228
5.5.2 Illustration 2: Reduced Dimensional Systems 231
5.5.3 Illustration 3: Transition Metal Monoxides with Edge-Sharing
Octahedra 233
5.5.4 Corollary 237
5.6 Total Energy Tight-Binding Calculations 238
Practice Problems 239
References 240
6 TRANSPORT PROPERTIES 241
6.1 An Introduction to Tensors 241
6.2 Thermal Conductivity 248
6.2.1 The Free Electron Contribution 249
6.2.2 The Phonon Contribution 251
6.3 Electrical Conductivity 254
6.3.1 Band Structure Considerations 258
6.3.2 Thermoelectric, Photovoltaic, and Magnetotransport
Properties 263
6.4 Mass Transport 272
6.4.1 Atomic Diffusion 273
6.4.2 Ionic Conduction 280
Practice Problems 281
References 282
7 METAL-NONMETAL TRANSITIONS 285
7.1 Correlated Systems 287
7.1.1 The Mott-Hubbard Insulating State 289
7.1.2 Charge-Transfer Insulators 293
7.1.3 Marginal Metals 293
7.2 Anderson Localization 295
7.3 Experimentally Distinguishing Disorder from Electron Correlation 299
CONTENTS IX
7.4 Tuning the M-NM Transition 302
7.5 Other Types of Electronic Transitions 305
Practice Problems 307
References 308
8 MAGNETIC AND DIELECTRIC PROPERTIES 311
8.1 Phenomenological Description of Magnetic Behavior 313
8.1.1 Magnetization Curves 316
8.1.2 Susceptibility Curves 317
8.2 Atomic States and Term Symbols of Free Ions 319
8.3 Atomic Origin of Paramagnetism 325
8.3.1 Orbital Angular Momentum Contribution - The Free
Ion Case 326
8.3.2 Spin Angular Momentum Contribution - The Free
Ion Case 327
8.3.3 Total Magnetic Moment - The Free Ion Case 328
8.3.4 Spin-Orbit Coupling - The Free Ion Case 329
8.3.5 Single Ions in Crystals 330
8.3.6 Solids 336
8.4 Diamagnetism 339
8.5 Spontaneous Magnetic Ordering 339
8.5.1 Exchange Interactions 341
8.5.2 Itinerant Ferromagnetism 350
8.5.3 Noncolinear Spin Configurations and
Magnetocrystalline Anisotropy 353
8.6 Magnetotransport Properties 359
8.6.1 The Double Exchange Mechanism 361
8.6.2 The Half-Metallic Ferromagnet Model 361
8.7 Magnetostriction 363
8.8 Dielectric Properties 364
8.8.1 The Microscopic Equations 365
8.8.2 Piezoelectricity 367
8.8.3 Pyroelectricity 370
8.8.4 Ferroelectricity 371
Practice Problems 372
References 373
CONTENTS
9 OPTICAL PROPERTIES OF MATERIALS 377
9.1 Maxwell s Equations 377
9.2 Refractive Index 381
9.3 Absorption 390
9.4 Nonlinear Effects 395
9.5 Summary 400
Practice Problems , 400
References 401
10 MECHANICAL PROPERTIES 403
10.1 Stress and Strain 404
10.2 Elasticity 407
10.2.1 The Elasticity Tensor 408
10.2.2 Elastically Isotropic Solids 413
10.2.3 The Relation Between Elasticity and the
Cohesive Forces in a Solid 421
10.2.4 Superelasticity, Pseudoelasticity, and the
Shape Memory Effect 430
10.3 Plasticity 433
10.3.1 The Dislocation-Based Mechanism to Plastic Deformation 439
10.3.2 Polycrystalline Metals 447
10.3.3 Brittle and Semibrittle Solids 448
10.3.4 The Correlation Between the Electronic Structure
and the Plasticity of Materials 450
10.4 Fracture 451
Practice Problems 454
References 456
11 PHASE EQUILIBRIA, PHASE DIAGRAMS, AND
PHASE MODELING 461
11.1 Thermodynamic Systems and Equilibrium 462
11.1.1 Equilibrium Thermodynamics 465
11.2 Thermodynamic Potentials and the Laws 469
11.3 Understanding Phase Diagrams 472
11.3.1 Unary Systems 472
11.3.2 Binary Metallurgical Systems 472
11.3.3 Binary Nonmetallic Systems 477
CONTENTS
11.3.4 Ternary Condensed Systems 478
11.3.5 Metastable Equilibria 483
11.4 Experimental Phase-Diagram Determinations 484
11.5 Phase-Diagram Modeling 485
11.5.1 Gibbs Energy Expressions for Mixtures and
Solid Solutions 485
11.5.2 Gibbs Energy Expressions for Phases with
Long-Range Order 488
11.5.3 Other Contributions to the Gibbs Energy 493
11.5.4 Phase Diagram Extrapolations - the
CALPHAD Method 494
Practice Problems 498
References 499
12 SYNTHETIC STRATEGIES 501
502
503
504
512
514
514
517
519
521
526
526
528
VLS 531
532
534
535
536
537
538
538
539
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
Practice Problems
References
ANI NTRODUOION TO NANOMATI
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
XII CONTENTS
13.3 More on Nanomaterials Preparative Techniques 541
13.3.1 Top-Down Methods for the Fabrication of
Nanocrystalline Materials 542
13.3.2 Bottom-Up Methods for the Synthesis of
Nanostructured Solids 544
References 556
APPENDIX 1 559
APPENDIX 2 565
APPENDIX 3 569
INDEX 575
|
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| indexdate | 2024-07-09T22:37:27Z |
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| isbn | 9780470404034 |
| language | English |
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| spelling | Lalena, John N. Verfasser (DE-588)136259359 aut Principles of inorganic materials design John N. Lalena ; David A. Cleary 2. ed. Hoboken, N.J. Wiley 2010 XXVI, 585 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Anorganischer Werkstoff (DE-588)4142570-4 gnd rswk-swf Anorganische Chemie (DE-588)4002145-2 gnd rswk-swf Werkstoffkunde (DE-588)4079184-1 gnd rswk-swf Technische anorganische Chemie (DE-588)4300470-2 gnd rswk-swf Festkörperchemie (DE-588)4129288-1 gnd rswk-swf Anorganischer Werkstoff (DE-588)4142570-4 s Festkörperchemie (DE-588)4129288-1 s DE-604 Anorganische Chemie (DE-588)4002145-2 s Werkstoffkunde (DE-588)4079184-1 s Technische anorganische Chemie (DE-588)4300470-2 s Cleary, David A. Verfasser aut HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020207821&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Lalena, John N. Cleary, David A. Principles of inorganic materials design Anorganischer Werkstoff (DE-588)4142570-4 gnd Anorganische Chemie (DE-588)4002145-2 gnd Werkstoffkunde (DE-588)4079184-1 gnd Technische anorganische Chemie (DE-588)4300470-2 gnd Festkörperchemie (DE-588)4129288-1 gnd |
| subject_GND | (DE-588)4142570-4 (DE-588)4002145-2 (DE-588)4079184-1 (DE-588)4300470-2 (DE-588)4129288-1 |
| title | Principles of inorganic materials design |
| title_auth | Principles of inorganic materials design |
| title_exact_search | Principles of inorganic materials design |
| title_full | Principles of inorganic materials design John N. Lalena ; David A. Cleary |
| title_fullStr | Principles of inorganic materials design John N. Lalena ; David A. Cleary |
| title_full_unstemmed | Principles of inorganic materials design John N. Lalena ; David A. Cleary |
| title_short | Principles of inorganic materials design |
| title_sort | principles of inorganic materials design |
| topic | Anorganischer Werkstoff (DE-588)4142570-4 gnd Anorganische Chemie (DE-588)4002145-2 gnd Werkstoffkunde (DE-588)4079184-1 gnd Technische anorganische Chemie (DE-588)4300470-2 gnd Festkörperchemie (DE-588)4129288-1 gnd |
| topic_facet | Anorganischer Werkstoff Anorganische Chemie Werkstoffkunde Technische anorganische Chemie Festkörperchemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020207821&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT lalenajohnn principlesofinorganicmaterialsdesign AT clearydavida principlesofinorganicmaterialsdesign |