Data for: Computational homogenization of material surfaces: from atomistic simulations to continuum models

Published: 4 March 2020| Version 1 | DOI: 10.17632/ybj9fs4wts.1
Christian Sievers,
Jörn Mosler,
Lothar Brendel,
Patrick Kurzeja


Input settings, version number and further information to calculate the energy of bulk cupper and bulk cupper + surface via molecular simulations (using LAMMPS) and continuum simulations (using FEAP), including resulting energies.