Data sets for tungsten migration energy barriers for surface diffusion: a parameterization for KMC simulations

Description

Raw data from Kinetic Monte Carlo simulations with the Kimocs code (https://gitlab.com/vjansson/Kimocs) and Nudged Elastic Band calcualations and Molecular dynamics simulations with the LAMMPS code.

Year of publication

2019

Authors

University of Helsinki

Ville Jansson - Creator, Publisher

Other information

Open access

Open

License

Creative Commons Attribution 3.0 Unported (CC BY 3.0)

Keywords

Nanotips, Kimocs, Kinetic Monte Carlo, Nudged elastic band, Surface diffusion, Tungsten, LAMMPS