MD-DEM

Submitted by yangdm on Mon, 09/26/2011 - 17:37

Hi, all

Is it possible (or simply naive) to run the MD and DEM simultaneously in one model? I am wondering if it is feasible to use a cluster of atoms to assemble a nano granular particle which can contact with other particles? The interaction between the atoms within one particle is governed by MD potential function (e.g. Lennard Jones) while the contact between particles follows the contact law (e.g. Hertz).

Any suggestion and discussion is appreciated.

cheers

Yang