Videos of Benzene clustering at 100K using LAMMPS and OPLS-AA
So I thought I'd upload a few videos of a recent MD simulation that is part of some work I'm doing in collaboration with a colleague at the University of Western Australia. A quick summary:
- 60 Benzene molecules in a box 120 Å x 120 Å x 120 Å.
- Simulation begins at 1000K for 200 ps then drops to 100K for the remaining 3 ns.
- Uses the LAMMPS MD code developed at Sandia Labs, US.
- Interactions governed by the All-Atoms OPLS potential (more about this and it's implementation in a future post)
- Videos below are produced with the visualisation software AVAS.
Close up view of the final stages of cluster formation: