DAY # | TOPICS | ASSIGNMENTS |
---|---|---|
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 G_{s}(r,t) (PDF) | |
5 | The density correlation function G(r,t) (PDF) | Problem Set 1 Issued (PDF) |
6 | Properties of time correlation functions (PDF) |
Problem Set 1 Due (PDF) Problem Set 2 Issued (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 | Problem Set 2 Due (PDF) |
11 | Hydrodynamic theory of dynamic structure factor | Problem Set 3 Issued (PDF) |
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 | Problem Set 3 Due (PDF) |
17 | Kinetic theory of G_{s}(r,t) - Nelkin-Ghatak model | Problem Set 4 Issued (PDF) |
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 | Problem Set 4 Due (PDF) |
22 | Continuation of Lecture 21 | |
Part III - Atomistic Simulation of Transport and Related Phenomena | ||
23 | Mean Free Path Treatment of Transport (viscosity, conductivity, diffusion) | Problem Set 5 Issued (PDF) |
24 | Continuation of Lecture 22 | |
25 | Role of atomistic simulations in transport (PDF) | Problem Set 5 Due (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 |
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Fall
2003
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