LAMMS modelling of inter-layer potential in graphene structures

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator), a software package based on molecular dynamics, dominates class of software used to model physical phenomena and engineering properties of a wide range of materials. Capabilities of that tool will be illustrated by presenting the case of modelling interactions between graphene layers. Results of the modelling shed some light on mechanism of creation of overlapping grapheme layers during technological processes. The obtained inter-layer potential is in line with basic properties of the material and suggests a possibility that some layers may be out of the expected order.

All interested persons are invited.
Cezary Pochrybniak