Hi,
For the Molecular Dynamics simulation of bi-crystal, the surfaces (with certain thickness) of the upper and lower grains are typically set as the so-called semi-rigid boundary condition. I failed to find some detailed explanations about the semi-rigid boundary condition. Does it mean that the atoms in the surface blocks are only allowed to relax along the normal direction of the boundary? or within the boundary plane instead of the normal direction? Many thanks.
Kind regards
Hui
- Badges
- Science topic
More Hui Zhang's questions See All
Similar questions and discussions