Tunneling and delocalization in hydrogen bonded systems: a study in position and momentum space

Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order to study the momentum distribution in phases of high pressure ice. Some of these phases exhibit symmetric hydrogen bonds and quantum tunneling. We find that the symmetric hydrogen bonded phase possesses a narrowed momentum distribution as compared with a covalently bonded phase, in agreement with recent experimental findings. The signatures of tunneling that we observe are a narrowed distribution in the low-to-intermediate momentum region, with a tail that extends to match the result of the covalently bonded state. The transition to tunneling behavior shows similarity to features observed in recent experiments performed on confined water. We corroborate our ice simulations with a study of a particle in a model one-dimensional double well potential that mimics some of the effects observed in bulk simulations. The temperature dependence of the momentum distribution in the one-dimensional model allows for the differentiation between ground state and mixed state tunneling effects.Comment: 14 pages, 13 figure

Spatiotemporal instability of a confined capillary jet

Recent experimental studies on the instability appearance of capillary jets have revealed the capabilities of linear spatiotemporal instability analysis to predict the parametrical map where steady jetting or dripping takes place. In this work, we present an extensive analytical, numerical and experimental analysis of confined capillary jets extending previous studies. We propose an extended, accurate analytic model in the limit of low Reynolds flows, and introduce a numerical scheme to predict the system response when the liquid inertia is not negligible. Theoretical predictions show a remarkable accuracy with results from the extensive experimental exploration provided.Comment: Submitted to the Physical Review E (20-March-2008

Bound States of Conical Singularities in Graphene-Based Topological Insulators

We investigate the electronic structure induced by wedge-disclinations (conical singularities) in a honeycomb lattice model realizing Chern numbers $\gamma=\pm 1$. We establish a correspondence between the bound state of (i) an isolated $\Phi_0/2$-flux, (ii) an isolated pentagon $(n=1)$ or heptagon $(n=-1)$ defect with an external flux of magnitude $n\gamma \Phi_0/4$ through the center and (iii) an isolated square or octagon defect without external flux, where $\Phi_0=h/e$ is the flux quantum. Due to the above correspondence, the existence of isolated electronic states bound to the disclinations is robust against various perturbations. These results are also generalized to graphene-based time-reversal invariant topological insulators.Comment: 5+4 pages, 4+3 figures, revised introduction and Fig.

Crumpling wires in two dimensions

An energy-minimal simulation is proposed to study the patterns and mechanical properties of elastically crumpled wires in two dimensions. We varied the bending rigidity and stretching modulus to measure the energy allocation, size-mass exponent, and the stiffness exponent. The mass exponent is shown to be universal at value $D_{M}=1.33$. We also found that the stiffness exponent $\alpha =-0.25$ is universal, but varies with the plasticity parameters $s$ and $\theta_{p}$. These numerical findings agree excellently with the experimental results