Site-dependent hydrogenation on graphdiyne

Graphene is one of the most important materials in science today due to its unique and remarkable electronic, thermal and mechanical properties. However in its pristine state, graphene is a gapless semiconductor, what limits its use in transistor electronics. In part due to the revolution created by graphene in materials science, there is a renewed interest in other possible graphene-like two-dimensional structures. Examples of these structures are graphynes and graphdiynes, which are two-dimensional structures, composed of carbon atoms in sp2 and sp-hybridized states. Graphdiynes (benzenoid rings connecting two acetylenic groups) were recently synthesized and some of them are intrinsically nonzero gap systems. These systems can be easily hydrogenated and the relative level of hydrogenation can be used to tune the band gap values. We have investigated, using fully reactive molecular dynamics (ReaxFF), the structural and dynamics aspects of the hydrogenation mechanisms of graphdiyne membranes. Our results showed that the hydrogen bindings have different atom incorporation rates and that the hydrogenation patterns change in time in a very complex way. The formation of correlated domains reported to hydrogenated graphene is no longer observed in graphdiyne cases.Comment: Submitted to Carbo

Exponential Distributions in a Mechanical Model for Earthquakes

We study statistical distributions in a mechanical model for an earthquake fault introduced by Burridge and Knopoff [R. Burridge and L. Knopoff, {\sl Bull. Seismol. Soc. Am.} {\bf 57}, 341 (1967)]. Our investigations on the size (moment), time duration and number of blocks involved in an event show that exponential distributions are found in a given range of the paramenter space. This occurs when the two kinds of springs present in the model have the same, or approximately the same, value for the elastic constants. Exponential distributions have also been seen recently in an experimental system to model earthquake-like dynamics [M. A. Rubio and J. Galeano, {\sl Phys. Rev. E} {\bf 50}, 1000 (1994)].Comment: 11 pages, uuencoded (submitted to Phys. Rev. E

Chaos and Synchronized Chaos in an Earthquake Model

We show that chaos is present in the symmetric two-block Burridge-Knopoff model for earthquakes. This is in contrast with previous numerical studies, but in agreement with experimental results. In this system, we have found a rich dynamical behavior with an unusual route to chaos. In the three-block system, we see the appearance of synchronized chaos, showing that this concept can have potential applications in the field of seismology.Comment: To appear in Physical Review Letters (13 pages, 6 figures

Two-dimensional quantum spin-1/2 Heisenberg model with competing interactions

We study the quantum spin-1/2 Heisenberg model in two dimensions, interacting through a nearest-neighbor antiferromagnetic exchange ($J$) and a ferromagnetic dipolar-like interaction ($J_d$), using double-time Green's function, decoupled within the random phase approximation (RPA). We obtain the dependence of $k_B T_c/J_d$ as a function of frustration parameter $\delta$, where $T_c$ is the ferromagnetic (F) transition temperature and $\delta$ is the ratio between the strengths of the exchange and dipolar interaction (i.e., $\delta = J/J_d$). The transition temperature between the F and paramagnetic phases decreases with $\delta$, as expected, but goes to zero at a finite value of this parameter, namely $\delta = \delta_c = \pi /8$. At T=0 (quantum phase transition), we analyze the critical parameter $\delta_c(p)$ for the general case of an exchange interaction in the form $J_{ij}=J_d/r_{ij}^{p}$, where ferromagnetic and antiferromagnetic phases are present.Comment: 4 pages, 1 figur