A model for conservative chaos constructed from multi-component Bose-Einstein condensates with a trap in 2 dimensions

To show a mechanism leading to the breakdown of a particle picture for the multi-component Bose-Einstein condensates(BECs) with a harmonic trap in high dimensions, we investigate the corresponding 2-$d$ nonlinear Schr{\"o}dinger equation (Gross-Pitaevskii equation) with use of a modified variational principle. A molecule of two identical Gaussian wavepackets has two degrees of freedom(DFs), the separation of center-of-masses and the wavepacket width. Without the inter-component interaction(ICI) these DFs show independent regular oscillations with the degenerate eigen-frequencies. The inclusion of ICI strongly mixes these DFs, generating a fat mode that breaks a particle picture, which however can be recovered by introducing a time-periodic ICI with zero average. In case of the molecule of three wavepackets for a three-component BEC, the increase of amplitude of ICI yields a transition from regular to chaotic oscillations in the wavepacket breathing.Comment: 5 pages, 4 figure

Non-equilibrium transport response from equilibrium transport theory

We propose a simple scheme that describes accurately essential non-equilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction molecular orbitals with the shifted Fermi levels of the electrodes, simplifies drastically the calculation of current-voltage characteristics compared to typical non-equilibrium algorithms. We probe that the scheme captures a number of non-trivial transport phenomena such as the negative differential resistance and rectification effects. It applies to those atomic-scale junctions whose relevant states for transport are spatially placed on the contact atoms or near the electrodes.Comment: 5 pages, 4 figures. Accepted in Physical Review

Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes

Monoatomic chains of molybdenum encapsulated in single walled carbon nanotubes of different chiralities are investigated using density functional theory. We determine the optimal size of the carbon nanotube for encapsulating a single atomic wire, as well as the most stable atomic arrangement adopted by the wire. We also study the transport properties in the ballistic regime by computing the transmission coefficients and tracing them back to electronic conduction channels of the wire and the host. We predict that carbon nanotubes of appropriate radii encapsulating a Mo wire have metallic behavior, even if both the nanotube and the wire are insulators. Therefore, encapsulating Mo wires in CNT is a way to create conductive quasi one-dimensional hybrid nanostructures.Comment: 8 pages, 10 figure

A practical approach to the global analysis of CLP programs

This paper presents and illustrates with an example a practical approach to the dataflow analysis of programs written in constraint logic programming (CLP) languages using abstract interpretation. It is first argued that, from the framework point of view, it sufnces to propose relatively simple extensions of traditional analysis methods which have already been proved useful and practical and for which efncient fixpoint algorithms have been developed. This is shown by proposing a simple but quite general extensión of Bruynooghe's traditional framework to the analysis of CLP programs. In this extensión constraints are viewed not as "suspended goals" but rather as new information in the store, following the traditional view of CLP. Using this approach, and as an example of its use, a complete, constraint system independent, abstract analysis is presented for approximating definiteness information. The analysis is in fact of quite general applicability. It has been implemented and used in the analysis of CLP(R) and Prolog-III applications. Results from the implementation of this analysis are also presented

Giant thermopower and figure of merit in single-molecule devices

We present a study of the thermopower $S$ and the dimensionless figure of merit $ZT$ in molecules sandwiched between gold electrodes. We show that for molecules with side groups, the shape of the transmission coefficient can be dramatically modified by Fano resonances near the Fermi energy, which can be tuned to produce huge increases in $S$ and $ZT$. This shows that molecules exhibiting Fano resonances have a high efficiency of thermoelectric cooling which is not present for conventional un-gated molecules with only delocalized states along their backbone.Comment: 4 pages, 4 figure

A practical application of sharing and freeness inference

Abstract is not available

Symmetry-induced interference effects in metalloporphyrin wires

Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and transport properties of a series of metalloporphyrin molecules sandwiched by gold electrodes using a combination of density functional theory and scattering theory. The impact of strong correlations at the central metallic atom is gauged by comparing our results obtained using conventional DFT and DFT+U approaches. The zero bias transport properties may or may not show spin-filtering behavior, depending on the nature of the d state closest to the Fermi energy. The type of d state depends on the metallic atom and gives rise to interference effects that produce different Fano features. The inclusion of the U term opens a gap between the d states and changes qualitatively the conductance and spin-filtering behavior in some of the molecules. We explain the origin of the quantum interference effects found as due to the symmetry-dependent coupling between the d states and other molecular orbitals and propose the use of these systems as nanoscale chemical sensors. We also demonstrate that an adequate treatment of strong correlations is really necessary to correctly describe the transport properties of metalloporphyrins and similar molecular magnets

A new special class of Petrov type D vacuum space-times in dimension five

Using extensions of the Newman-Penrose and Geroch-Held-Penrose formalisms to five dimensions, we invariantly classify all Petrov type $D$ vacuum solutions for which the Riemann tensor is isotropic in a plane orthogonal to a pair of Weyl alligned null directionsComment: 4 pages, 1 table, no figures. Contribution to the proceedings of the Spanish Relativity Meeting 2010 held in Granada (Spain

Universality in the transport response of molecular wires physisorbed onto graphene electrodes

We analyze the low-voltage transport response of large molecular wires bridging graphene electrodes, where the molecules are physisorbed onto the graphene sheets by planar anchor groups. In our study, the sheets are pulled away to vary the gap length and the relative atomic positions. The molecular wires are also translated in directions parallel and perpendicular to the sheets. We show that the energy position of the Breit-Wigner molecular resonances is universal for a given molecule, in the sense that it is independent of the details of the graphene edges, gaps lengths or of the molecule positions. We discuss the need to converge carefully the k-sampling to provide reasonable values of the conductance.Comment: 6 pages, 6 figure

Wetland restoration and nitrate reduction: the example of the periurban wetland of Vitoria-Gasteiz (Basque Country, North Spain)

Changes in land use and agricultural intensification caused wetlands on the quaternary aquifer of Vitoria-Gasteiz (Basque Country) to disappear some years ago and nitrate concentration in groundwaters increased very quickly. The Basque Government recently declared the East Sector of this aquifer a Vulnerable Zone according to the 91/676/CEE European Directive. Recently, the wetlands have been restored through the closure of the main drainage ditches, the consequent elevation of the water table and the abondonment of agricultural practices near the wetlands. This is the case of the Zurbano wetland. Restoration has allowed the recovery of its biogeochemical function, which has reduced nitrate concentrations in waters. Nitrate concentrations which exceed 50 mg l–1 in groundwaters entering into the wetland are less than 10 mg l–1 at the outlet. Conditions in the wetland are conducive to the loss of nitrates: organic matter rich wetted soils, clay presence allowing a local semiconfined flow and very low hydraulic gradient. Water quality monitoring at several points around the wetland showed the processes involved in nitrate loss, although some aspects still remain unresolved. However, during storm events, the wetland effectively reduces the nitrate concentration entering the Alegria River, the most important river on the quaternary aquifer