Constitutive modeling of some 2D crystals: graphene, hexagonal BN, MoS$_2$, WSe$_2$ and NbSe$_2$
Abstract
We lay down a nonlinear elastic constitutive framework for the modeling of some 2D crystals of current interest. The 2D crystals we treat are graphene, hexagonal boron nitride and some metal dichalcogenides: molybdenium disulfide (MoS), tungsten selenium (WSe), and niobium diselenide (NbSe). We first find their arithmetic symmetries by using the theory of monoatomic and diatomic 2-nets. Then, by confinement to weak transformation neighbourhoods and by applying the Cauchy-Born rule we are able to use the symmetries continuum mechanics utilizes: geometric symmetries. We give the complete and irreducible representation for energies depending on an in-plane measure, the curvature tensor and the shift vector. This is done for the symmetry hierarchies that describe how symmetry changes at the continuum level: for monoatomic 2-nets and for diatomic two nets. Having these energies at hand we are able to evaluate stresses and couple stresses for each symmetry regime.
Keywords
Cite
@article{arxiv.1801.05050,
title = {Constitutive modeling of some 2D crystals: graphene, hexagonal BN, MoS$_2$, WSe$_2$ and NbSe$_2$},
author = {D. Sfyris and G. I. Sfyris and C. Galiotis},
journal= {arXiv preprint arXiv:1801.05050},
year = {2018}
}
Comments
3 figures