Multiple length scales

Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000).

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

MEMS

MicroElectroMechanical Systems

Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000).

Hamiltonian for multiple length scales

Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000).

MD

Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000).

Tight-binding

Finite element

Finite element (cont.)

Finest mesh for diamond

Finite Element/MD handshaking

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