Continuum - Molecular Modeling of Graphene Lattice
Paper i proceeding, 2010

In the present contribution we address the modeling of graphene membranes - the thinnest membrane structure man ever has produced. Due to the covalent bond configuration of the Carbon, the nano-membranes are predicted to have promising electrical as well as mechanical properties; resonators, force/mass sensors and nanoswitches are some examples of the future graphene's applications. A hierarchy of modeling approaches are investigated in order to assess the proper scale bridging strategy with respect to graphene membrane structures. Accurate models, such as Ab-Initio (AI) and Density Function Theory (DFT), are exploited and compared to a first order homogenized, higher scale Molecular Dynamics (MD) approach for a set of planar unit lattices. The lower scale AI, DFT and MD-models are conveniently used to model the behavior of small to medium size lattices, whereas the extension to large scale lattices and membrane structures becomes overly computationally demanding.


Kaveh Samadikhah

Chalmers, Tillämpad mekanik, Material- och beräkningsmekanik

Ragnar Larsson

Chalmers, Tillämpad mekanik, Material- och beräkningsmekanik

Kim Bolton

F. Bazooyar

Proc. IV European Conference on Computational Mechanics


Nanovetenskap och nanoteknik



Teknisk mekanik