Curved Graphene Nanoribbons: Structure and Dynamics of Carbon Nanobelts

Carbon nanoribbons (CNRs) are graphene (planar) structures with large aspect ratio. Carbon nanobelts (CNBs) are small graphene nanoribbons rolled up into spiral-like structures, i. e., carbon nanoscrolls (CNSs) with large aspect ratio. In this work we investigated the energetics and dynamical aspects of CNBs formed from rolling up CNRs. We have carried out molecular dynamics simulations using reactive empirical bond-order potentials. Our results show that similarly to CNSs, CNBs formation is dominated by two major energy contribution, the increase in the elastic energy due to the bending of the initial planar configuration (decreasing structural stability) and the energetic gain due to van der Waals interactions of the overlapping surface of the rolled layers (increasing structural stability). Beyond a critical diameter value these scrolled structures can be even more stable (in terms of energy) than their equivalent planar configurations. In contrast to CNSs that require energy assisted processes (sonication, chemical reactions, etc.) to be formed, CNBs can be spontaneously formed from low temperature driven processes. Long CNBs (length of $\sim$ 30.0 nm) tend to exhibit self-folded racket-like conformations with formation dynamics very similar to the one observed for long carbon nanotubes. Shorter CNBs will be more likely to form perfect scrolled structures. Possible synthetic routes to fabricate CNBs from graphene membranes are also addressed

Evidence for quasi-chemically homogeneous evolution of massive stars up to solar metallicity

Long soft gamma ray bursts (LGRBs) are usually associated with the death of the most massive stars. A large amount of core angular momentum in the phases preceding the explosion is required to form LGRBs. A very high initial rotational velocity can provide this angular momentum. Such a velocity strongly influences the way the star evolves: it is chemically homogeneously mixed and evolves directly towards the blue part of the HR diagram from the main sequence. We have shown that chemically homogeneous evolution (CHE) takes place in the SMC, at low metallicity. We want to see if there is a metallicity threshold above which such an evolution does not exist. We perform a spectroscopic analysis of H-rich early-type WN stars in the LMC and the Galaxy. We use the code CMFGEN to determine the fundamental properties and the surface composition of the target stars. We then place the stars in the HR diagram and determine their evolution. We show that both the LMC and Galactic WNh stars we selected cannot be explained by standard stellar evolution. They are located on the left of the main sequence but show surface abundances typical of CN equilibrium. In addition, they still contain a large amount of hydrogen. They are thus core-H burning objects. Their properties are consistent with CHE. We determine the metallicity of the Galactic stars from their position and Galactic metallicity gradients, and conclude that they have 0.6<Z<1.0. A moderate coupling between the core and the envelope is required to explain that stellar winds do not extract to much angular momentum to prevent a blueward evolution. In view of the findings that some long gamma ray bursts appear in solar environments, CHE may be a viable way to form them over a wide range of metallicities.Comment: 10 pages, 10 figures. Accepted in Astronomy and Astrophysic

Liquid mixtures involving fluorinated alcohols: The equation of state (p, r, T, x) of (Ethanol + Trifluoroethanol) Experimental and Simulation

Liquid mixtures involving fluorinated alcohols: The equation of state (p, r, T, x) of (Ethanol + Trifluoroethanol) Experimental and Simulation Pedro Duartea, Djêide Rodriguesa, Marcelo Silvaa, Pedro Morgadoa, Luís Martinsa,b and Eduardo J. M. Filipea* aCentro de Química Estrutural, Instituto Superior Técnico, 1049-001 Lisboa, Portugal bCentro de Química de Évora, Universidade de Évora, 7000-671 Évora, Portugal Fluorinated alcohols are substances with unique properties and high technological value in the pharmaceutical and chemical industries. Trifluoroethanol (TFE), in particular, displays a number of unusual properties as a solvent. For example, it dissolves nylon at room temperature and is effectively used as solvent in bioengineering. The presence of the three fluorines atoms gives the alcohol a high ionization constant, strong hydrogen bonding capability and stability at high temperatures. In the pharmaceutical industry, TFE finds use as the major raw material for the production of inhalation anesthetics. Mixtures of TFE and water (known as Fluorinols®) are used as working fluids for Rankine cycle heat engines for terrestrial and space applications, as a result of a unique combination of physical and thermodynamic properties such as high thermal efficiency and excellent turbine expansion characteristics. Environmentally, TFE is a CFC substitute with an acceptable short lifetime and with small ozone depletion potential. Additionally, TFE is known to induce conformational changes in proteins and it is used as a co-solvent to analyze structural features of partially folded states. The (ethanol + TFE) system displays an interesting and peculiar behaviour, combining a negative azeotrope with high positive excess volumes. In this work, liquid mixtures of (ethanol + TFE) were investigated. The densities of the mixtures were measured as a function of composition between 278K and 338K and at pressures up to 700 bar. The corresponding excess volumes as a function of temperature and pressure, the isothermal compressibilities and thermal expansivities were calculated from the experimental results. The mixtures are highly non-ideal with excess volumes ranging from 0.8 - 1.0 cm3mol-1. Finally, molecular dynamic simulations were performed to model and interpret the experimental results. The Trappe force field was used to simulate the (TFE + ethanol) mixtures and calculate the corresponding excess volumes. The simulation results are able to reproduce the correct sign and order of magnitude of the experimental VE without fitting to the experimental data. Furthermore, the simulations suggest the presence of a particular type of hydrogen bridge between ethanol and TFE, that can help to rationalize the experimental results

Scaling Laws for Non-Intercommuting Cosmic String Networks

We study the evolution of non-interacting and entangled cosmic string networks in the context of the velocity-dependent one-scale model. Such networks may be formed in several contexts, including brane inflation. We show that the frozen network solution $L\propto a$, although generic, is only a transient one, and that the asymptotic solution is still $L\propto t$ as in the case of ordinary (intercommuting) strings, although in the present context the universe will usually be string-dominated. Thus the behaviour of two strings when they cross does not seem to affect their scaling laws, but only their densities relative to the background.Comment: Phys. Rev. D (in press); v2: final published version (references added, typos corrected

BRESEX: On board supervision, basic architecture and preliminary aspects for payload and space shuttle interface

Data relative to the on board supervision subsystem are presented which were considered in a conference between INPE and NASA personnel, with the purpose of initiating a joint effort leading to the implementation of the Brazilian remote sensing experiment - (BRESEX). The BRESEX should consist, basically, of a multispectral camera for Earth observation, to be tested in a future space shuttle flight

Qualitative understanding of the sign of t' asymmetry in the extended t-J Model and relevance for pairing properties

Numerical calculations illustrate the effect of the sign of the next nearest-neighbor hopping term t' on the 2-hole properties of the t-t'-J model. Working mainly on 2-leg ladders, in the -1.0 < t'/t < 1.0 regime, it is shown that introducing t' in the t-J model is equivalent to effectively renormalizing J, namely t' negative (positive) is equivalent to an effective t-J model with smaller (bigger) J. This effect is present even at the level of a 2x2 plaquette toy model, and was observed also in calculations on small square clusters. Analyzing the transition probabilities of a hole-pair in the plaquette toy model, it is argued that the coherent propagation of such hole-pair is enhanced by a constructive interference between both t and t' for t'>0. This interference is destructive for t'<0.Comment: 5 pages, 4 figures, to appear in PRB as a Rapid Communicatio

Recent progress in the truncated Lanczos method : application to hole-doped spin ladders

The truncated Lanczos method using a variational scheme based on Hilbert space reduction as well as a local basis change is re-examined. The energy is extrapolated as a power law function of the Hamiltonian variance. This systematic extrapolation procedure is tested quantitatively on the two-leg t-J ladder with two holes. For this purpose, we have carried out calculations of the spin gap and of the pair dispersion up to size 2x15.Comment: 5 pages, 4 included eps figures, submitted to Phys. Rev. B; revised versio