[lammps-users] MEAM potential

Dear all,
I want to compute MEAM potential parameters for Al2O3 crystal but i don't any
experience in this field.
Is there any toturial or paper for this?
Best regards,

H. Amini

Other than reading the MEAM papers or seeing if Greg Wagner
(CCd) has any pointer-to-a-paper for you, that's it.

Steve

Sorry, I'm not aware of any MEAM potential for aluminum oxide, nor of any potential for similar materials that you might be able to use as a model. One difficulty is that that crystal structure isn't available as a reference structure (at least, not in lammps, nor in other MEAM codes I know of). So this is probably not even simply a problem of finding the right set of parameters, but of figuring out how (and whether) MEAM can work for this structure.

I'm not really an expert on development of new MEAM potentials, so it's possible that others out there will have ideas.

Regards,
Greg

Greg Wagner
Sandia National Laboratories
P.O. Box 969 MS 9409 Livermore, CA 94551
Tel: (925) 294-2180 Fax: (925) 294-3410
Email: [email protected]...