2 papers
cond-mat.mtrl-sci2018
Fitting of the TB-SMA interatomic potentials for Pt/Cu(111) surface alloy
S. A. Dokukin, S. V. Kolesnikov, A. M. Saletsky +1
In this paper we present new parameters of the TB-SMA interatomic potentials for the Pt/Cu(111) surface alloy. The parameters are fitted using both the experimental and {\it ab ini…
cond-mat.mes-hall2016
Molecular dynamics simulation of graphene on Cu(111) with different Lennard-Jones parameters
A. V. Sidorenkov, S. V. Kolesnikov, A. M. Saletsky
The interaction between graphene and copper (111) surface have been investigated using the molecular dynamics simulations. We have shown that it is possible to fit Lennard-Jones po…