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[资源] 经典且精彩Cambridge2008Heat Transfer Physics

Contents
Preface page xvii
Acknowledgments xxi
1 Introduction and Preliminaries . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1.1 Principal Carriers: Phonon, Electron, Fluid Particle and
Photon 3
1.1.1 Phonon 3
1.1.2 Electron (and Hole) 7
1.1.3 Fluid Particle 8
1.1.4 Photon 8
1.2 Combinatorial Probabilities and Energy Distribution
Functions 9
1.3 Particles, Waves, Wave Packets and Quasi-Particles 11
1.4 A History of Contributions Toward Heat Transfer Physics 13
1.5 Fundamental Constants and Fine-Structure Scales 15
1.5.1 Boltzmann and Planck Constants 15
1.5.2 Atomic Units and Fine-Structure Scales 16
1.6 Principal Carriers: Concentration, Energy, Kinetics and Speed 18
1.6.1 Principal Energy Carriers Concentration 19
1.6.2 Principal Carrier Energy 20
1.6.3 Principal Carrier Energy Transport/Transformation
Kinetics 22
1.6.4 Principal Carrier Speed 22
1.7 Periodic Table of Elements 23
1.8 Heat Transfer Physics: Atomic-Level Energy Kinetics 26
1.9 Ab Initio/MD/BTE/Macroscopic Treatments 32
1.10 Scope 34
1.11 Problems 36
2 Molecular Orbitals/Potentials/Dynamics, and Quantum
Energy States . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
vii
viii Contents
2.1 Interatomic Forces and Potential Wells 39
2.1.1 Interatomic Forces 41
2.1.2 Intermolecular Forces 41
2.1.3 Kinetic and Potential Energies and Potential Wells 42
2.2 Orbitals and Interatomic Potential Models 47
2.2.1 Atomic and Molecular Electron Orbitals 47
2.2.2 Ab Initio Computation of Interatomic Potentials 49
2.2.3 Potential Models 53
2.2.4 Examples of Atomic Bond Length and Energy 57
2.2.5 Radial Distribution of Atoms in Dense Phase 60
2.3 Molecular Ensembles, Temperature and Thermodynamic
Relations 62
2.3.1 Ensembles and Computational Molecular Dynamics 62
2.3.2 Thermodynamic Relations 62
2.4 Hamiltonian Mechanics 65
2.4.1 Classical and Quantum Hamiltonians 65
2.4.2 Probability and Partition Function 67
2.4.3 Ergodic Hypothesis in Theoretical Statistical
Mechanics 67
2.5 Molecular Dynamics Simulations 68
2.5.1 Ensemble and Descretization of Governing Equations 68
2.5.2 A Molecular Dynamics Simulation Case Study 72
2.5.3 L–J MD Scales in Classical Harmonic Oscillator 75
2.5.4 L–J Potential Phase Transformations 78
2.5.5 Atomic Displacement in Solids and Quantum Effects 79
2.6 Schr ¨ odinger Equation and Quantum Energy States 81
2.6.1 Time-Dependent Schr ¨ odinger Equation and Wave
Vector 82
2.6.2 Bloch Wave Form 85
2.6.3 Quantum-Mechanics Formalism, Bra–Ket and Matrix
Element 85
2.6.4 Quantum Mechanical, Harmonic Oscillator 86
2.6.5 Periodic, Free Electron (Gas) Model for Metals 90
2.6.6 Electron Orbitals in Hydrogenlike Atoms 94
2.6.7 Perturbation and Numerical Solutions to Schr ¨ odinger
Equation 96
2.7 Problems 100
3 Carrier Energy Transport and Transformation Theories . . . . . . . . . 104
3.1 Boltzmann Transport Equation 105
3.1.1 Particle Probability Distribution (Occupancy) Function 105
3.1.2 A Simple Derivation of BTE 105
3.1.3 In- and Out-Scattering 107
Contents ix
3.1.4 Relaxation-Time Approximation and Transport
Properties 109
3.1.5 Boltzmann Transport Scales 112
3.1.6 Momentum, Energy and Average Relaxation Times 113
3.1.7 Moments of BTE 113
3.1.8 Numerical Solution to BTE 114
3.2 Energy Transition Kinetics and Fermi Golden Rule 115
3.2.1 Elastic and Inelastic Scattering 115
3.2.2 Phonon Interaction and Transition Rates 116
3.2.3 Electron (and Hole) Interaction and Transition Rates 117
3.2.4 Fluid Particle Interaction and Transition Rates 120
3.2.5 Photon Interaction and Transition Rates 121
3.3 Maxwell Equations and Electromagnetic Waves 121
3.3.1 Maxwell Equations 121
3.3.2 Electromagnetic Wave Equation 123
3.3.3 EM Wave and Photon Energy 126
3.3.4 Electric Dipole Emission, Absorption and Scattering of
EM Waves 127
3.3.5 Dielectric Function and Dielectric Heating 129
3.3.6 Electrical Resistance and Joule Heating 133
3.4 Onsager Transport Coefficients 134
3.5 Stochastic Particle Dynamics and Transport 135
3.5.1 Langevin Particle Dynamics Equation 135
3.5.2 Fokker–Planck Particle Conservation Equation 136
3.5.3 Mean-Field Theory 137
3.6 Fluctuation–Dissipation and Green–Kubo Transport Theory 137
3.7 Macroscopic Fluid Dynamics Equations 140
3.8 Macroscopic Elastic Solid-Mechanics Equations 143
3.9 Macroscopic Scales 143
3.10 Problems 144
4 Phonon Energy Storage, Transport and Transformation
Kinetics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154
4.1 Phonon Dispersion in One-Dimensional Harmonic Lattice
Vibration 154
4.2 Phonon Density of States and Phonon Speeds 161
4.2.1 Phonon DOS for One-Dimensional Lattice and van
Hove Singularities 162
4.2.2 Debye and Other Phonon DOS Models 163
4.3 Reciprocal Lattice, Brillouin Zone, and Primitive Cell and Its
Basis 166
4.3.1 Reciprocal Lattice 166
4.3.2 Brillouin Zone 168
x Contents
4.3.3 Primitive Cell and Its Basis: Number of Phonon
Branches 169
4.4 Normal Modes and Dynamical Matrix 170
4.5 Quantum Theory of Lattice Vibration 173
4.6 Examples of Phonon Dispersion and DOS 176
4.7 Debye Average Acoustic Speed and Phonon Specific Heat
Capacity 179
4.7.1 Specific Heat Capacity 179
4.7.2 Estimate of Directional Acoustic Velocity 184
4.8 Atomic Displacement in Lattice Vibration 186
4.9 Phonon BTE and Callaway Conductivity Model 189
4.9.1 Single-Mode Relaxation Time 189
4.9.2 Callaway Phonon Conductivity Model from BTE 190
4.9.3 Callaway–Holland Phonon Conductivity Model 193
4.9.4 Relaxation-Time Models 193
4.9.5 Phonon Dispersion Models: Ge As Example 201
4.9.6 Comparison of Dispersion Models 204
4.9.7 Thermal Conductivity Prediction 205
4.10 Einstein and Cahill–Pohl Minimum Phonon Conductivities 209
4.11 Material Metrics of High-T Phonon Conductivity 210
4.11.1 Derivation of Slack Relation 211
4.11.2 Force-Constant Combinative Rule for Arbitrary
Pair-Bond 213
4.11.3 Evaluation of Sound Velocity and Debye Temperature 219
4.11.4 Prediction of Gr¨ uneisen Parameter 222
4.11.5 Prediction of Thermal Conductivity 227
4.12 High-T Phonon Conductivity Decomposition: Acoustic
Phonons 232
4.12.1 Heat Current Autocorrelation Function 233
4.12.2 Phonon Conductivity Decomposition 235
4.12.3 Comparison with Experiment 237
4.13 High-T Phonon Conductivity Decomposition: Optical
Phonons 238
4.14 Quantum Corrections to MD/G-K Predictions 240
4.15 Phonon Conductivity from BTE: Variational Method 244
4.16 Experimental Data on Phonon Conductivity 247
4.17 Phonon Boundary Resistance 247
4.18 Absorption of Ultrasound Waves in Solids 252
4.19 Size Effects 253
4.19.1 Finite-Size Effect on Phonon Conductivity 253
4.19.2 Superlattice Phonon Conductivity 254
4.19.3 Phonon Density of States of Nanoparticles 256
4.19.4 Phonon Conductivity Rectification in Anisotropic
One-Dimensional Systems 263
Contents xi
4.20 Problems 264
5 Electron Energy Storage, Transport and Transformation
Kinetics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 280
5.1 Schr ¨ odinger Equation for Periodic-Potential Band Structure 282
5.2 Electron Band Structure in One-Dimensional Ionic Lattice 284
5.3 Three-Dimensional Bands Using Tight-Binding
Approximation 287
5.3.1 General LCAO 288
5.3.2 Example of Tight-Binding Approximation: FCC s
Orbital 289
5.4 Electron Band Structure for Semiconductors and Effective
Mass 292
5.5 Ab Initio Computation of Electron Band Structure 295
5.6 Periodic Electron Gas Model for Metals 297
5.7 Electron–Hole Density of States for Semiconductors 299
5.8 Specific Heat Capacity of Conduction Electrons 303
5.9 Electron BTE for Semiconductors: Thermoelectric Force 305
5.10 Electron Relaxation Time and Fermi Golden Rule 306
5.11 Average Relaxation Time τe for Power-Law τe(Ee) 309
5.12 Thermoelectric Transport Tensors for Power-Law τe(Ee) 313
5.13 TE Transport Coefficients for Cubic Structures 317
5.13.1 Seebeck, Peltier, and Thomson Coefficients,
and Electrical and Thermal Conductivities 317
5.13.2 Electron Mean Free Path for Metals 319
5.14 Magnetic Field and Hall Factor and Coefficient 320
5.15 Electron–Phonon Relaxation Times in Semiconductors 320
5.15.1 Electron–Phonon Wave Function 321
5.15.2 Rate of Acoustic-Phonon Scattering of Electrons 323
5.15.3 Rate of Optical-Phonon Scattering of Electrons 326
5.15.4 Summary of Electron-Scattering Mechanisms and
Relaxation-Time Relations 329
5.16 TE Transport Coefficients Data 330
5.16.1 Structural Defects in Crystalline Solids 330
5.16.2 Metals 331
5.16.3 Semiconductors 334
5.16.4 TE Figure of Merit Ze 341
5.17 Ab Initio Computation of TE Transport Property Tensors 346
5.17.1 TE Transport Tensors and Variable Chemical Potential 346
5.17.2 Introduction to BoltzTraP 347
5.17.3 Relaxation Times Based on Kane Band Model 349
5.17.4 Predicted Seebeck Coefficient and Electrical
Conductivity 353
5.17.5 Electrical and Phonon Thermal Conductivities 357
xii Contents
5.18 Electron and Phonon Transport Under Local Thermal
Nonequilibrium 361
5.18.1 Derivations 361
5.18.2 Phonon Modal Energy Equations 364
5.18.3 Summary of Conservation (Electrohydrodynamic)
Equations 365
5.19 Cooling Length in Electron–Phonon Local Thermal
Nonequilibrium 366
5.20 Electronic Energy States of Ions in Crystals 369
5.21 Electronic Energy States of Gases 373
5.22 Size Effects 376
5.22.1 Quantum Well for Improved TE ZeT 377
5.22.2 Reduced Electron–Phonon Scattering Rate Quantum
Wells 379
5.23 Problems 381
6 Fluid Particle Energy Storage, Transport and
TransformationKinetics . . . . . . . . . . . . . . . . . . . . . . . . . . . . 391
6.1 Fluid Particle Quantum Energy States and Partition Functions 392
6.1.1 Translational Energy and Partition Function 393
6.1.2 Vibrational Energy and Partition Function 394
6.1.3 Rotational Energy and Partition Function 395
6.1.4 Electronic Energy and Partition Function 396
6.2 Ideal-Gas Specific Heat Capacity 397
6.3 Dense-Fluid Specific Heat Capacity: van der Waals Model 400
6.4 Gas BTE, f o
f and Thermal Velocities 403
6.4.1 Interparticle Collisions 403
6.4.2 Equilibrium Distribution Function for Translational
Energy 405
6.4.3 Inclusion of Gravitational Potential Energy 408
6.5 Ideal-Gas Binary Collision Rate and Relaxation Time 408
6.6 Ideal-Gas Mean Free Path and Viscosity 411
6.7 Theoretical Maximum Evaporation–Condensation Heat
Transfer Rate 412
6.8 Ideal-Gas Thermal Conductivity from BTE 414
6.8.1 Nonequilibrium BTE and Relaxation-Time
Approximation 414
6.8.2 Thermal Conductivity 415
6.9 Liquid Thermal Conductivity from Mean Free Path 419
6.10 Effective Conductivity with Suspended Particles in Brownian
Motion 421
6.10.1 Langevin Derivation of Brownian Diffusion 421
6.10.2 Effective Fluid Thermal Conductivity 423
6.11 Interaction of Moving Fluid Particle and Surface 424
Contents xiii
6.11.1 Fluid Flow Regimes 424
6.11.2 Knudson-Flow-Regime Surface Accommodation
Coefficients 426
6.11.3 Slip Coefficients in Transitional-Flow Regime 428
6.11.4 Solid Particle Thermophoresis in Gases 430
6.11.5 Physical Adsorption and Desorption 431
6.11.6 Disjoining Pressure in Ultrathin-Liquid Films 434
6.12 Turbulent-Flow Structure and Boundary-Layer Transport 435
6.12.1 Turbulent Kinetic Energy Spectrum for Homogeneous
Turbulence 437
6.12.2 Boundary-Layer Turbulent Heat Flux 440
6.12.3 Boundary-Layer Turbulent Mixing Length and
Thermal Conductivity 440
6.12.4 Spatial Variation of Boundary-Layer Turbulent Mixing
Length 441
6.13 Thermal Plasmas 443
6.13.1 Free Electron Density and Plasma Thermal
Conductivity 444
6.13.2 Thermal Nonequilibrium Plasma Energy Equation 448
6.13.3 Species Concentrations For Two-Temperature Plasmas 449
6.13.4 Kinetics of Energy Exchange Between Electrons
and Heavier Species 449
6.14 Size Effects 450
6.14.1 Gas Thermal Conductivity in Narrow Gaps 450
6.14.2 Thermal Creep (Slip) Flow in Narrow Gaps 452
6.15 Problems 455
7 Photon Energy Storage, Transport and Transformation
Kinetics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 461
7.1 Quasi-Particle Treatment: Photon Gas and Blackbody
Radiation 465
7.2 Lasers (Quantum) and Near-Field (EM Wave) Thermal
Emission 468
7.2.1 Lasers and Narrow-Band Emissions 468
7.2.2 Classical EM Wave Near-Field Thermal Emission 468
7.3 Quantum and Semiclassical Treatments of Photon–Matter
Interaction 471
7.3.1 Hamiltonians of Radiation Field 471
7.3.2 Photon-Matter Interactions 474
7.4 Photon Absorption and Emission in Two-Level Electronic
Systems 476
7.4.1 Einstein Population Rate Equation 476
7.4.2 Einstein Coefficients for Equilibrium Thermal Source 478
xiv Contents
7.4.3 Spontaneous Versus Stimulated Emissions in Thermal
Cavity 479
7.4.4 Spectral Absorption Coefficient 480
7.5 Particle Treatment: Photon BTE 482
7.5.1 Absorption Coefficient and Relation between Photon
Absorption and Emission 483
7.5.2 Photon–Free Electron Scattering Rate 485
7.6 Equation of Radiative Transfer 488
7.6.1 General Form of ERT 488
7.6.2 Optically Thick Limit and Radiant Conductivity 490
7.7 Wave Treatment: Field Enhancement and Photon
Localization 492
7.7.1 Photon Localization in One-Dimensional
Multilayer 493
7.7.2 Coherence and Electric Field Enhancement 496
7.7.3 Comparison with Particle Treatment (ERT) 499
7.8 Continuous and Band Photon Absorption 502
7.8.1 Photon Absorption in Solids 502
7.8.2 Photon Absorption in Gases 506
7.9 Continuous and Band Photon Emission 511
7.9.1 Emission Mechanisms 511
7.9.2 Reciprocity between Spectral Photon Absorption and
Emission for Multiple-Level Electronic Systems 512
7.10 Spectral Surface Emissivity 514
7.11 Radiative and Nonradiative Decays 516
7.12 Anti-Stokes Fluorescence: Photon-Electron-Phonon
Couplings 521
7.12.1 Laser Cooling of Ion-Doped Solids 521
7.12.2 Laser Cooling Efficiency 524
7.12.3 Photon–Electron–Phonon Transition Rate Using Weak
Coupling Approximation 526
7.12.4 Time Scales for Laser Cooling of Solids (Weak
Couplings) 531
7.12.5 Optimal Host Material 535
7.12.6 Photon–Electron and Electron–Phonon Transition
Rates Using Strong Couplings (Ab Initio
Computation) 538
7.13 Gas Lasers and Laser Cooling of Gases 546
7.13.1 Molecular-Gas Lasers 546
7.13.2 Laser Cooling of Atomic Gases 552
7.14 Photovoltaic Solar Cell: Reducing Phonon Emission 555
7.14.1 Single-Bandgap Ideal Solar PV Efficiency 557
7.14.2 Multiple-Bandgap Ideal Solar PV Efficiency 559
7.14.3 Semiempirical Solar PV Efficiency 562
Contents xv
7.15 Size Effects 564
7.15.1 Enhanced Near-Field Radiative Heat Transfer 564
7.15.2 Photon Energy Confinement by Near-Field Optical
Microscopy 567
7.16 Problems 568
APPENDIX A: Tables of Properties and Universal Constants . . . . . . . . . . 579
APPENDIX B: Derivation of Green–Kubo Relation . . . . . . . . . . . . . . . 586
APPENDIX C: Derivation of Minimum Phonon Conductivity Relations . . . 594
APPENDIX D: Derivation of Phonon Boundary Resistance . . . . . . . . . . . 601
APPENDIX E: Derivation ofFermiGoldenRule . . . . . . . . . . . . . . . . . 607
APPENDIX F: Derivation of Equilibrium, Particle Probability
Distribution Functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 614
Nomenclature 619
Abbreviations 625
Glossary 627
Bibliography 639
Index 655
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2015-10-29 15:45   回复  
五星好评  顶一下，感谢分享！
zgshao50楼
2015-11-07 12:53   回复  
五星好评  顶一下，感谢分享！
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