Failure mechanisms of graphene under tension

Recent experiments established pure graphene as the strongest material known to mankind, further invigorating the question of how graphene fails. Using density functional theory, we reveal the mechanisms of mechanical failure of pure graphene under a generic state of tension. One failure mechanism is a novel soft-mode phonon instability of the $K_1$-mode, whereby the graphene sheet undergoes a phase transition and is driven towards isolated benzene rings resulting in a reduction of strength. The other is the usual elastic instability corresponding to a maximum in the stress-strain curve. Our results indicate that finite wave vector soft modes can be the key factor in limiting the strength of monolayer materials

Non-paraxial Split-step Finite-difference Method for Beam Propagation

A method based on symmetrized splitting of the propagation operator in the finite difference scheme for non-paraxial beam propagation is presented. The formulation allows the solution of the second order scalar wave equation without having to make the slowly varying envelope and one-way propagation approximations. The method is highly accurate and numerically efficient. Unlike most Padé approximant based methods, it is non-iterative in nature and requires less computation. The method can be used for bi-directional propagation as well