I think you need to look in the MEAM literature and see if
anyone has parameterized MEAM for these materials.
Greg Wagner (CCd) may also know.
Steve
2010/11/9 王晓亮 <[email protected]...>:
I'm not aware of any MEAM potentials in the literature for carbon-copper interactions. There are MEAM parameterizations for carbon or copper alone, although MEAM may not be the best first choice for either of these. And unfortunately, the fitting of parameters for the cross-potential between two different elements isn't trivial (e.g. you can't simply take the average of the single-element parameters). For the case of CNT in copper, I'm not sure that MEAM is the right choice anyway.
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]...