1 / 14

Multiscale Modeling: MD Coupled with Finite Element Methods

Explore multiscale modeling using the integration of molecular dynamics with finite element methods. Learn about course-grained molecular dynamics and the Hamiltonian for multiple length scales. Dive into MEMS and the tight-binding approach, observing MD on a detailed mesh with atomic representation.

livi
Télécharger la présentation

Multiscale Modeling: MD Coupled with Finite Element Methods

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  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. MicroElectroMechanical Systems 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. 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

More Related