Materials Kinetics : Transport and Rate Phenomena.

Format:

Book

Author/Creator:

Mauro, John C.

Contributor:

ScienceDirect (Online service)

Language:

English

Subjects (All):

Dynamics.

Materials.

Physical Description:

1 online resource (910 pages)

Edition:

2nd ed.

Place of Publication:

Chantilly : Elsevier, 2026.

Contents:

Front Cover

Materials Kinetics: Transport and Rate Phenomena

Copyright Page

Dedication

Contents

Foreword

Preface to the second edition

Preface to the first edition

Acknowledgments

1 Thermodynamics versus kinetics

1.1 What is equilibrium?

1.2 Thermodynamics versus kinetics

1.3 Spontaneous and nonspontaneous processes

1.4 Microscopic basis of entropy

1.5 First law of thermodynamics

1.6 Second law of thermodynamics

1.7 Third law of thermodynamics

1.8 Zeroth law of thermodynamics

1.9 Ensembles

1.10 Partition functions

1.11 Gibbs entropy

1.12 Summary

Exercises

References

2 Irreversible thermodynamics

2.1 Reversible and irreversible processes

2.2 Affinity

2.3 Fluxes

2.4 Entropy production

2.5 Purely resistive systems

2.6 Linear systems

2.7 Onsager reciprocity theorem

2.8 Thermophoresis

2.9 Thermoelectric materials

2.10 Electromigration

2.11 Piezoelectric materials

2.12 Irreversible thermodynamics in other ensembles

2.13 Summary

3 Fick's laws of diffusion

3.1 Fick's first law

3.2 Fick's second law

3.3 Driving forces for diffusion

3.4 Temperature dependence of diffusion

3.5 Interdiffusion

3.6 Measuring concentration profiles

3.7 Tracer diffusion

3.8 Chemical mobility and capacitance

3.9 Summary

4 Analytical solutions of the diffusion equation

4.1 Fick's second law with constant diffusivity

4.2 Plane source in one dimension

4.3 Method of reflection and superposition

4.4 Solution for an extended source

4.5 Bounded initial distribution

4.6 Method of separation of variables

4.7 Method of Laplace transforms

4.8 Anisotropic diffusion

4.9 Concentration-dependence diffusivity

4.10 Time-dependent diffusivity.

4.11 Diffusion in other coordinate systems

4.12 Diffusion in a cylinder

4.13 Diffusion in a sphere

4.14 Solution by Green's functions

4.15 Summary

5 Multicomponent diffusion

5.1 Introduction

5.2 Matrix formulation of diffusion in a ternary system

5.3 Solution by matrix diagonalization

5.4 Uphill diffusion

5.5 Examples of multicomponent diffusion

5.6 Summary

6 Numerical solutions of the diffusion equation

6.1 Introduction

6.2 Dimensionless variables

6.3 Physical interpretation of the finite difference method

6.4 Finite difference solutions

6.5 Considerations for numerical solutions

6.6 Software for numerical solutions

6.7 Summary

7 Atomic models for diffusion

7.1 Introduction

7.2 Thermally activated atomic jumping

7.3 Square well potential

7.4 Parabolic well potential

7.5 Particle escape probability

7.6 Mean squared displacement of particles

7.7 Einstein diffusion equation

7.8 Moments of a function

7.9 Diffusion and random walks

7.10 Summary

8 Diffusion in crystals

8.1 Atomic mechanisms for diffusion

8.2 Diffusion in metals

8.3 Correlated walks

8.4 Defects in ionic crystals

8.5 Schottky and Frenkel defects

8.6 Equilibrium constants for defect reactions

8.7 Diffusion in ionic crystals

8.8 Summary

9 Diffusion in polycrystalline materials

9.1 Defects in polycrystalline materials

9.2 Diffusion mechanisms in polycrystalline materials

9.3 Regimes of grain boundary diffusion

9.4 Diffusion along stationary versus moving grain boundaries

9.5 Atomic mechanisms of fast grain boundary diffusion

9.6 Diffusion along dislocations

9.7 Diffusion along free surfaces.

9.8 Atomistic simulations of short-circuit diffusion

9.9 Summary

10 Motion of dislocations and interfaces

10.1 Driving forces for dislocation motion

10.2 Dislocation glide and climb

10.3 Discrete dislocation dynamics

10.4 Driving forces for interfacial motion

10.5 Motion of crystal-vapor interfaces

10.6 Entropy-stabilized oxides

10.7 Crystalline interface motion

10.8 Summary

11 Morphological evolution in polycrystalline materials

11.1 Driving forces for surface morphological evolution

11.2 Morphological evolution of isotropic surfaces

11.3 Grooving

11.4 Plateau-Rayleigh instability

11.5 Evolution of anisotropic surfaces

11.6 Particle coarsening: Ostwald ripening

11.7 Grain growth

11.8 Diffusional creep

11.9 Sintering

11.10 Cold sintering

11.11 Summary

12 Diffusion in polymers and glasses

12.1 Introduction

12.2 Stokes-Einstein relation

12.3 Freely jointed chain model of polymers

12.4 Reptation

12.5 Chemically strengthened glass by ion exchange

12.6 Ion-exchanged glass waveguides

12.7 Antimicrobial glass

12.8 Proton conducting glasses

12.9 Summary

13 Kinetics of phase separation

13.1 Thermodynamics of mixing

13.2 Immiscibility and spinodal domes

13.3 Phase separation kinetics

13.4 Cahn-Hilliard equation

13.5 Phase-field modeling

13.6 Summary

14 Nucleation and crystallization

14.1 Kinetics of crystallization

14.2 Classical nucleation theory

14.3 Homogeneous nucleation

14.4 Heterogeneous nucleation

14.5 Nucleation rate

14.6 Crystal growth rate

14.7 Johnson-Mehl-Avrami equation

14.8 Time-temperature-transformation diagram

14.9 Glass-ceramics

14.10 Nucleating agents.

14.11 Summary

15 Advanced nucleation theories

15.1 Limitations of classical nucleation theory

15.2 Statistical mechanics of nucleation

15.3 Diffuse interface theory

15.4 Density functional theory

15.5 Implicit glass model

15.6 Molecular dynamics simulations of nucleation

15.7 Toy landscape model

15.8 Summary

16 Viscosity of liquids

16.1 Introduction

16.2 Viscosity reference points

16.3 Viscosity measurement techniques

16.4 Liquid fragility

16.5 Vogel-Fulcher-Tammann equation for viscosity

16.6 Avramov-Milchev equation for viscosity

16.7 Adam-Gibbs entropy model

16.8 Mauro-Yue-Ellison-Gupta-Allan equation for viscosity

16.9 Infinite temperature limit of viscosity

16.10 Kauzmann paradox

16.11 Fragile-to-strong transition

16.12 Non-Newtonian viscosity

16.13 Volume viscosity

16.14 Summary

17 Nonequilibrium viscosity and the glass transition

17.1 Introduction

17.2 The glass transition

17.3 Thermal history dependence of viscosity

17.4 Modeling of nonequilibrium viscosity

17.5 Nonequilibrium viscosity and fragility

17.6 Composition dependence of viscosity

17.7 Viscosity of medieval cathedral glass

17.8 Viscoelasticity and delayed elasticity

17.9 Summary

18 Energy landscapes

18.1 Potential energy landscapes

18.2 Enthalpy landscapes

18.3 Landscape kinetics

18.4 Disconnectivity graphs

18.5 Eigenvector-following technique

18.6 ExplorerPy

18.7 Activation-relaxation technique

18.8 Nudged elastic band method

18.9 Summary

19 Broken ergodicity

19.1 What is ergodicity?

19.2 Deborah number

19.3 Broken ergodicity

19.4 Continuously broken ergodicity.

19.5 Hierarchical master equation approach

19.6 Thermodynamic implications of broken ergodicity

19.7 Ferroic glasses

19.8 Jamming in granular systems

19.9 Universal physics of broken ergodic systems

19.10 Summary

20 Master equations

20.1 Transition state theory

20.2 Master equations

20.3 Degenerate microstates

20.4 Metabasin approach

20.5 Partitioning of the landscape

20.6 Accessing long time scales

20.7 KineticPy

20.8 Hierarchical modeling with master equations

20.9 Summary

21 Relaxation of glasses and polymers

21.1 Introduction

21.2 Fictive temperature

21.3 Tool's equation

21.4 Ritland crossover effect

21.5 Fictive temperature distributions

21.6 Property dependence of fictive temperature

21.7 Kinetic interpretation of fictive temperature

21.8 Stretched exponential relaxation

21.9 Prony series description

21.10 Relaxation kinetics

21.11 RelaxPy

21.12 Stress vs. structural relaxation

21.13 Maxwell relation

21.14 Secondary relaxation

21.15 Minimalist landscape model

21.16 Summary

22 Molecular dynamics

22.1 Multiscale materials modeling

22.2 Quantum mechanical techniques

22.3 Principles of molecular dynamics

22.4 Interatomic potentials

22.5 Ensembles

22.6 Integrating the equations of motion

22.7 Performing molecular dynamics simulations

22.8 Thermostats

22.9 Barostats

22.10 Reactive force fields

22.11 Tools of the trade

22.12 Accelerated molecular dynamics

22.13 Summary

23 Monte Carlo techniques

23.1 Introduction

23.2 Monte Carlo integration

23.3 Monte Carlo in statistical mechanics

23.4 Markov processes

23.5 The Metropolis method

23.6 Molecular dynamics versus Monte Carlo.

Notes:

23.7 Sampling in different ensembles.

Electronic reproduction. Amsterdam Available via World Wide Web.

Description based on publisher supplied metadata and other sources.

ISBN:

0443301751

9780443301759

0443301743

9780443301742

Publisher Number:

90104329310

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