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[lammps-users] Carbon-Carbon Long range inteaction using Lj potential
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[lammps-users] Carbon-Carbon Long range inteaction using Lj potential


From: "Nasiri, Samaneh" <samaneh.nasiri@...4839...>
Date: Tue, 13 Jun 2017 13:13:59 +0000


Dear Lammps Users,

I am using Pt-C tersoff potential introduced by Albe(2002) in order to simulate the interaction between platinum and carbon. This potential described short-ranged the Pt-Pt, Pt-C and C-C (r < 2 Angstrom) force fields. I need to add longer-ranged interactions for Carbon-Carbon (2 < r < cutoff). If I use a hybrid potential (Pt_c_tersoff and LJ) how to make sure that LJ potential has no interfere with short-ranged field?

Thanks in advance,
Samaneh

--
Samaneh Nasiri, M.Sc.
Doctorate Candidate at Institute for Materials Simulation (WW8)

Department of Materials Science
Friedrich-Alexander-University Erlangen-Nürnberg

Dr.-Mack-Str. 77, 90762 Fürth, Germany
Room: 2.024
phone: +49 911 65078-65065
fax:   +49 911 65078-65066