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

Reconstruction Of The Permittivity Profile Of A Stratified Dielectric Layer

A numerical procedure is given for the reconstruction of the permittivity profile of a dielectric slab on a perfect conductor. Profiles not supporting guided modes are reconstructed from the complex reflection amplitude for TE-polarized, monochromatic plane waves incident from different directions using the Marchenko theory. The contribution of guided modes is incorporated in the reconstruction procedure through the Gelfand-Levitan equations. An advantage of our approach is that a unique solution for the permittivity profile is obtained without the use of complicated regularization techniques. Some illustrative numerical examples are presented

A Numerical Reconstruction of the Permittivity Profile of a Stratified Dielectric Layer

We consider the problem of determining the permittivity profile of a dielectric stratified medium of finite thickness terminated by a perfect conductor. The input data are the propagation and normalization constants of the guided modes, together with the values of the complex reflection amplitude for a TE-polarized monochromatic plane wave at different angles of incidence. In contrast to previous studies, our method of calculation is based on simple numerical procedures and uses only a physically justifiable regularization, quite different from the more involved regularization procedures that have been used elsewhere. The role of the guided modes is elucidated