22.103 | Fall 2003 | Undergraduate

Microscopic Theory of Transport


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) 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 Gs(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  

Course Info

As Taught In
Fall 2003
Learning Resource Types
Problem Sets
Lecture Notes