Heat transfer physics

685 Pages·2008·11.708 MB·English

by  Kaviany M.

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HEAT TRANSFER PHYSICS
HeatTransferPhysicsisagraduate-leveltextbookdescribingtheatomic-level
kinetics(mechanismsandrates)ofthermalenergystorage,transport(conduc-
tion, convection, and radiation), and transformation (various energy conver-
sions) by principal energy carriers. These carriers are called phonons (lattice
vibration waves, also treated as quasi-particles), electrons (classical or quan-
tum entities), fluid particles (classical particles with quantum features), and
photons (classical electromagnetic waves, also treated as quasi-particles), as
shown in the cover figure. This approach combines fundamentals (through
survey and summaries) of the following fields: molecular orbitals/potentials,
statistical thermodynamics, computational molecular dynamics (including lat-
tice dynamics), quantum energy states, transport theories (e.g., Boltzmann
and stochastic transport and Maxwell equations), solid-state (including semi-
conductors)andfluid-state(includingsurfaceinteractions)physics,andquan-
tumoptics(e.g.,spontaneousandstimulatedemission,photon-electron-phonon
couplings). These are rationally connected to atomic-level heat transfer (e.g.,
heat capacity, thermal conductivity, photon absorption coefficient) and ther-
mal energy conversion (e.g., ultrasonic heating, thermoelectric and laser
cooling). This book presents a unified theory, over fine-structure/molecular-
dynamics/Boltzmann/macroscopic length and time scales, of heat transfer ki-
neticsintermsoftransitionratesandrelaxationtimesandrelatesittomodern
applications(includingnanoscaleandmicroscalesizeeffects).
Massoud Kaviany is professor of mechanical engineering and applied physics
attheUniversityofMichigan.Hisresearch-educationintegrationsincludethe
monographsPrinciplesofHeatTransferinPorousMedia(1991)andPrinciples
ofConvectiveHeatTransfer(1994)andthetextbookPrinciplesofHeatTransfer
(2001).
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Heat Transfer Physics
Massoud Kaviany
UniversityofMichigan
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CAMBRIDGE UNIVERSITY PRESS
Cambridge, New York, Melbourne, Madrid, Cape Town, Singapore, São Paulo
Cambridge University Press
The Edinburgh Building, Cambridge CB2 8RU, UK
Published in the United States of America by Cambridge University Press, New York
www.cambridge.org
Information on this title: www.cambridge.org/9780521898973
© Massoud Kaviany 2008
This publication is in copyright. Subject to statutory exception and to the
provision of relevant collective licensing agreements, no reproduction of any part
may take place without the written permission of Cambridge University Press.
First published in print format 2008
ISBN-13 978-0-511-43694-9 eBook (EBL)
ISBN-13 978-0-521-89897-3 hardback
Cambridge University Press has no responsibility for the persistence or accuracy
of urls for external or third-party internet websites referred to in this publication,
and does not guarantee that any content on such websites is, or will remain,
accurate or appropriate.
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Tocuriosity,reason,doubt,
dialogue,understanding,tolerance,
andhumility.
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Contents
Preface pagexvii
Acknowledgments xxi
1 IntroductionandPreliminaries . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1.1 PrincipalCarriers:Phonon,Electron,FluidParticleand
Photon 3
1.1.1 Phonon 3
1.1.2 Electron(andHole) 7
1.1.3 FluidParticle 8
1.1.4 Photon 8
1.2 CombinatorialProbabilitiesandEnergyDistribution
Functions 9
1.3 Particles,Waves,WavePacketsandQuasi-Particles 11
1.4 AHistoryofContributionsTowardHeatTransferPhysics 13
1.5 FundamentalConstantsandFine-StructureScales 15
1.5.1 BoltzmannandPlanckConstants 15
1.5.2 AtomicUnitsandFine-StructureScales 16
1.6 PrincipalCarriers:Concentration,Energy,KineticsandSpeed 18
1.6.1 PrincipalEnergyCarriersConcentration 19
1.6.2 PrincipalCarrierEnergy 20
1.6.3 PrincipalCarrierEnergyTransport/Transformation
Kinetics 22
1.6.4 PrincipalCarrierSpeed 22
1.7 PeriodicTableofElements 23
1.8 HeatTransferPhysics:Atomic-LevelEnergyKinetics 26
1.9 AbInitio/MD/BTE/MacroscopicTreatments 32
1.10 Scope 34
1.11 Problems 36
2 Molecular Orbitals/Potentials/Dynamics, and Quantum
EnergyStates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39
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viii Contents
2.1 InteratomicForcesandPotentialWells 39
2.1.1 InteratomicForces 41
2.1.2 IntermolecularForces 41
2.1.3 KineticandPotentialEnergiesandPotentialWells 42
2.2 OrbitalsandInteratomicPotentialModels 47
2.2.1 AtomicandMolecularElectronOrbitals 47
2.2.2 AbInitioComputationofInteratomicPotentials 49
2.2.3 PotentialModels 53
2.2.4 ExamplesofAtomicBondLengthandEnergy 57
2.2.5 RadialDistributionofAtomsinDensePhase 60
2.3 MolecularEnsembles,TemperatureandThermodynamic
Relations 62
2.3.1 EnsemblesandComputationalMolecularDynamics 62
2.3.2 ThermodynamicRelations 62
2.4 HamiltonianMechanics 65
2.4.1 ClassicalandQuantumHamiltonians 65
2.4.2 ProbabilityandPartitionFunction 67
2.4.3 ErgodicHypothesisinTheoreticalStatistical
Mechanics 67
2.5 MolecularDynamicsSimulations 68
2.5.1 EnsembleandDescretizationofGoverningEquations 68
2.5.2 AMolecularDynamicsSimulationCaseStudy 72
2.5.3 L–JMDScalesinClassicalHarmonicOscillator 75
2.5.4 L–JPotentialPhaseTransformations 78
2.5.5 AtomicDisplacementinSolidsandQuantumEffects 79
2.6 Schro¨dingerEquationandQuantumEnergyStates 81
2.6.1 Time-DependentSchro¨dingerEquationandWave
Vector 82
2.6.2 BlochWaveForm 85
2.6.3 Quantum-MechanicsFormalism,Bra–KetandMatrix
Element 85
2.6.4 QuantumMechanical,HarmonicOscillator 86
2.6.5 Periodic,FreeElectron(Gas)ModelforMetals 90
2.6.6 ElectronOrbitalsinHydrogenlikeAtoms 94
2.6.7 PerturbationandNumericalSolutionstoSchro¨dinger
Equation 96
2.7 Problems 100
3 CarrierEnergyTransportandTransformationTheories . . . . . . . . . 104
3.1 BoltzmannTransportEquation 105
3.1.1 ParticleProbabilityDistribution(Occupancy)Function 105
3.1.2 ASimpleDerivationofBTE 105
3.1.3 In-andOut-Scattering 107