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Multiple length scales. Molecular dynamics coupled with finite element methods Course grained molecular dynamics. Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000). M icro E lectro M echanical S ystems. MEMS. Rudd and Broughton, phys. stat. sol. (b) 217, 251 (2000). - PowerPoint PPT Presentation
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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
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