Multiple length scales

1
Multiple length scales

• Molecular dynamics coupled with finite element
  methods
• Course grained molecular dynamics

Rudd and Broughton, phys. stat. sol. (b) 217, 251
(2000).
2
MEMS
Rudd and Broughton, phys. stat. sol. (b) 217, 251
(2000).
3
Hamiltonian for multiple length scales
Rudd and Broughton, phys. stat. sol. (b) 217, 251
(2000).
4
MD
Rudd and Broughton, phys. stat. sol. (b) 217, 251
(2000).
5
Tight-binding
6
Finite element
7
Finite element (cont.)
8
Finest mesh for diamond
9
Finite Element/MD handshaking
10
(No Transcript)
11
Course Grained Molecular Dynamics

• MD on mesh
• Each mesh point represents 1 or more atoms
• Node are displaced by dynamics of average forces
  and masses

12
(No Transcript)
13
(No Transcript)
14
(No Transcript)