2 papers
cond-mat.mes-hall2024
First-principles derived force field for h-BN monolayer nanostructures: Applications to sheets, nanotubes and nanotori
Aristotelis P. Sgouros, Markos Arapchatzis, Nektarios N. Lathiotakis +2
In this work, we present an empirical force field for hexagonal boron nitride (hBN) monolayers, derived via a bottom-up strategy from first principles calculations. We aim to deliv…
cond-mat.mtrl-sci2018
Uniaxial Compression of Suspended Single and Multilayer graphenes
A. P. Sgouros, G. Kalosakas, C. Galiotis +1
The mechanical response of single and multiple graphene sheets under uniaxial compressive loads was studied with molecular dynamics simulations, using different semi-empirical forc…