Making graphite with AIREBO

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1

Hello,

This is perhaps a general question, but I am performing simulations with LAMMPS involving graphite and I just wanted to know how accurately the van der Waals interactions between the layers of graphite are realized with the AIREBO potential? From what I have done, it seems to work reasonably well but my supervisor has asked to check with the experiences of others for comparison.

Thanks,

David

2

Hello,

This is perhaps a general question, but I am performing simulations with LAMMPS involving graphite and I just wanted to know how accurately the van der Waals interactions between the layers of graphite are realized with the AIREBO potential? From what I have done, it seems to work reasonably well but my supervisor has asked to check with the experiences of others for comparison.

Your best option for that is to search the published literature.