| 1 |
Course Overview and Introduction (PDF) |
| Part I - Correlation Functions |
| 2 |
Diffusion: mean square displacement (PDF) |
| 3 |
Diffusion: velocity autocorrelation - Green Kubo relations (PDF) |
| 4 |
Diffusion: Van Hove self correlation function Gs(r,t) (PDF) |
| 5 |
The density correlation function G(r,t) (PDF) |
| 6 |
Properties of time correlation functions (PDF) |
| 7 |
The radial distribution function g(r) |
| 8 |
Dynamic structure factor and inelastic neutron and light scattering |
| 9 |
Equations for G(r,t) and phase-space correlation |
| 10 |
Equations of hydrodynamics |
| 11 |
Hydrodynamic theory of dynamic structure factor |
| Part II - Kinetic Theory |
| 12 |
Boltzmann equation: brief derivation |
| 13 |
Boltzmann equation: collisional invariants and hydrodynamic limit |
| 14 |
Continuation of Lecture 13 |
| 15 |
Boltzmann equation: H-theorem and equilibrium solution |
| 16 |
Linearized Boltzmann equation: relaxation time models |
| 17 |
Kinetic theory of Gs(r,t) - Nelkin-Ghatak model |
| 18 |
Continuation of Lecture 17 |
| 19 |
Kinetic theory of G(r,t): BGK model |
| 20 |
Kinetic models, Boltzmann equation and neutron transport equation |
| 21 |
Linear response theory - complex susceptibility, fluctuation-dissipation theorem |
| 22 |
Continuation of Lecture 21 |
| Part III - Atomistic Simulation of Transport and Related Phenomena |
| 23 |
Mean Free Path Treatment of Transport (viscosity, conductivity, diffusion) |
| 24 |
Continuation of Lecture 22 |
| 25 |
Role of atomistic simulations in transport (PDF) |
| 26 |
Basic Molecular Dynamics: time integration, potential, book keeping, flow chart, unique properties |
| 27 |
Continuation of Lecture 26 |
| 28 |
Atomistic simulation of liquids - structure and dynamics |
| 29 |
Transport phenomena beyond Boltzmann - cage effects, molasses tail, phonon lifetimes |
| 30 |
Diversity of atomistic simulation applications (concepts) |
| 31 |
Thermal conductivity of a solid (SiC) |
| 32 |
MD studies of phase transitions - melting, vitrification and amorphization |
| 33 |
Continuation of Lecture 32 |
| 34 |
Multiscale materials modeling - perspective and visualization |
| 35 |
Final topic on transport theory: memory function, mode coupling |
