Trapping effects on the vibration-inversion-rotation motions of an ammonia molecule encapsulated in C60_{60} fullerene molecule

The infrared bar-spectrum of a single ammonia molecule encapsulated in nano-cage C$_{60}$ fullerene molecule is modelled using the site inclusion model successfully applied to analyze spectra of CO$_2$ isotopologues isolated in rare gas matrix. Calculations show that NH$_3$ can rotate freely on a sphere of radius 0.184 $\text{\AA}$ around the site centre of the nano-cage and spin freely about its C$_3$ symmetry axis. In the static field inside the cage degenerate $\nu_3$ and $\nu_4$ vibrational modes are blue shifted and split. When dynamic coupling with translational motion is considered, the spectral signature of the $\nu_2$ mode is modified with a higher hindering barrier (2451 cm$^{-1}$), an effective reduced mass (6.569 g.mol$^{-1}$) and a longer tunneling time (55594 ps) for the fundamental level compared to gas-phase values (2047 cm$^{-1}$), (2.563 g.mol$^{-1}$) and (20.85 ps). As a result this mode is red shifted. Moreover, simulation shows that the changes in the bar-spectrum of the latter mode can be used to probe the temperature of the surrounding media in which fullerene is observed

Van't Hoff law for temperature dependent Langmuir constants in clathrate hydrate nanocavities

This work gives a van't Hoff law expression of Langmuir constants of different species for determining their occupancy in the nanocavities of clathrate hydrates. The van't Hoff law's parameters are derived from a fit with Langmuir constants calculated using a pairwise site-site interaction potential to model the anisotropic potential environment in the cavities, as a function of temperature. The parameters can be used for calculating clathrates compositions. Results are given for nineteen gas species trapped in the small and large cavities of structure types I and II [1]. The accuracy of this approach is based on a comparison with available experimental data for ethane and cyclo- propane clathrate hydrates. The numerical method applied in this work, was recently validated from a comparison with the spherical cell method based on analytical considerations [1]Comment: 2 figure

Structure-Based Subspace Method for Multi-Channel Blind System Identification

In this work, a novel subspace-based method for blind identification of multichannel finite impulse response (FIR) systems is presented. Here, we exploit directly the impeded Toeplitz channel structure in the signal linear model to build a quadratic form whose minimization leads to the desired channel estimation up to a scalar factor. This method can be extended to estimate any predefined linear structure, e.g. Hankel, that is usually encountered in linear systems. Simulation findings are provided to highlight the appealing advantages of the new structure-based subspace (SSS) method over the standard subspace (SS) method in certain adverse identification scenarii.Comment: 5 pages, Submitted to IEEE Signal Processing Letters, January 201

XML Rewriting Attacks: Existing Solutions and their Limitations

Web Services are web-based applications made available for web users or remote Web-based programs. In order to promote interoperability, they publish their interfaces in the so-called WSDL file and allow remote call over the network. Although Web Services can be used in different ways, the industry standard is the Service Oriented Architecture Web Services that doesn't rely on the implementation details. In this architecture, communication is performed through XML-based messages called SOAP messages. However, those messages are prone to attacks that can lead to code injection, unauthorized accesses, identity theft, etc. This type of attacks, called XML Rewriting Attacks, are all based on unauthorized, yet possible, modifications of SOAP messages. We present in this paper an explanation of this kind of attack, review the existing solutions, and show their limitations. We also propose some ideas to secure SOAP messages, as well as implementation ideas

Left and right compatibility of strict orders with fuzzy tolerance and fuzzy equivalence relations

The notion of extensionality of a fuzzy relation w.r.t. a fuzzy equivalence was first introduced by Hohle and Blanchard. Belohlavek introduced a similar definition of compatibility of a fuzzy relation w.r.t. a fuzzy equality. In [14] we generalized this notion to left compatibility, right compatibility and compatibility of arbitrary fuzzy relations and we characterized them in terms of left and right traces introduced by Fodor. In this note, we will again investigate these notions, but this time we focus on the compatibility of strict orders with fuzzy tolerance and fuzzy equivalence relations

RELATIONSHIPS BETWEEN RECTILINEAR DIAMETER AMPLITUDES AND MOLECULAR POLARIZABILITIES OF FLUIDS NEAR THEIR CRITICAL POINTS

This work reports on the relationships that exist between the amplitudes of liquid-vapor average densities of several fluids and their molecular polarizabilities. The slope of the coexistence-curve diameter has been determined from an equation of state based on the crossover model. We found that the slope for each fluid near the critical point is directly correlated with its molecular polarizability. This correlation is the consequence of the three-body Axilrod-Teller interaction