Surface energy

Good day,

I am new to lammps, I want to find the surface energy of Cu, any help on that?

Marco J.

Good day,

I am new to lammps, I want to find the surface energy of Cu, any help on that?

pick a suitable potential, look up how to compute surface energy in a text book (if you don’t already know), and then set up the corresponding calculations.

please revert to the mailing list if you have more specific questions.

axel.

This is partially done with LAMMPS:

http://dx.doi.org/10.1021/jp801931d

There is a huge literature.

  Giovanni La Penna

National research council of Italy (CNR)
Institute for chemistry of organometallic compounds (ICCOM)
Sesto Fiorentino (Firenze), Italy
tel.: +39 0555225264