Dear all,
I am looking for the implementation of vanadium MEAM potential in
LAMMPS.The potential provided in the library.meam is based on 1st NN
model (PHYSICAL REVIEW B VOLUME 46, NUMBER 5). For point defect
properties especially for vacancy formation energy I did not find this
potential satisfactory. So I want to use the MEAM potential for
vanadium based on 2NN model developed in the paper (PHYSICAL REVIEW B,
VOLUME 64, 184102).
my question is
is it possible to implement MEAM based on 2NN model in LAMMPS?
can sombody explain me this.
Thank you.
Greg can probably answer what would be
needed to do this.
Steve
Yes, the second-neighbor form of the MEAM potential is implemented in LAMMPS. Take a look at the nn2(I,J) parameter documented on the "pair_style meam" page of the lammps documentation. Please read this documentation page carefully to make sure you understand what all of the parameters are doing and how they relate to the published potential.
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]...