Outline of Lecture

1. Overview of MD and continuum mechanics
   1. Concepts, variables
      1. Strains, stresses
      2. Displacements
   2. Finite elements, maybe boundary elements
   3. Simple expression for E = 1/2 (U K U + U^. M U^.)
2. Compare concepts
   1. Atomic positions vs. fields
      1. Positions -> displacement field
   2. Asides
      1. Fluids: velocity field
3. Approaches
   1. Gumbsch, Hoover, CLS
      1. Mesh refining
      2. Slave particles
      3. Slave particles/displacements
   2. Coarse grained MD
   3. Quasi-continuum
4. Outstanding issues
   1. Variable constitutive laws (CGMD)
   2. Temperature/vibrations
   3. Fluids (incompatible fundamental variables)

Lecture 1

Lecture 2