Estudi dinàmic i manipulació de fluxos en monocapes de Langmuir de molècules fotosensibles

Durant el període de gaudiment de la beca, des del dia 9 de març del 2007 fins el dia 8 de març del 2010, s’han dut a terme diferents tipus d’experiments amb sistemes bidimensionals com són les monocapes de Langmuir. Inicialment es va començar per l’estudi i la caracterització d’aquests sistemes experimentals, tant en repòs com en dinàmic, com és l’estudi de la reposta col•lectiva molecular de dominis d’un azoderivat fotosensible al rotar el pla de polarització mentre es mante sota il•luminació constant i els estudis de sistemes bidimensionals al collapse que es poden relacionar a les propietats viscoplàstiques dels sòlids. Una altra via d’estudi és la reologia d’aquests sistemes bidimensionals quan flueixen a través de canals. Arrel del sistema experimental més simple, una monocapa fluint per un canal, s’ha observat i estudiat l’efecte coll d’ampolla. Un cop assolit i estudiat el sistema més senzill, s’han aplicat tècniques més complexes de fabricació per fotolitografia per fer fluir monocapes de Langmuir per circuits on hi ha un gran contrast de mullat. Un cop aquests circuits es van implementar satisfactòriament en un sistema pel control de fluxos bidimensionals, es posen de manifest les possibles aplicacions futures d’aquests sistemes per l’estudi i el desenvolupament de la microfluídica bidimensional.

Polarització i conflictes a l'Amèrica Llatina. Relatoria del seminari. Barcelona, 5 i 6 de maig de 2011

Relatoria del seminario internacional “Polarización y conflictos en América Latina. Retos para la transformación de conflictos y la seguridad humana”, celebrado en Barcelona en mayo de 2011 y organizado por el Instituto Catalán Internacional para la Paz (ICIP). El seminario tuvo como objeto profundizar en el análisis de las causas de la polarización política y social en América Latina al ser éstas causas frecuentes de inestabilidad, obstáculos al desarrollo y dificultades para el asentamiento de la paz y el sistema democrático. Además el seminario fue el inicio de una línea de investigación y de elaboración de propuestas para el estudio de la polarización y la nueva conflictividad en América Latina.

Search for dark matter using VHE gamma-ray telescopes

One of the unresolved questions of modern physics is the nature of Dark Matter. Strong experimental evidences suggest that the presence of this elusive component in the energy budget of the Universe is quite significant, without, however, being able to provide conclusive information about its nature. The most plausible scenario is that of weakly interacting massive particles (WIMPs), that includes a large class of non-baryonic Dark Matter candidates with a mass typically between few tens of GeV and few TeVs, and a cross section of the order of weak interactions. Search for Dark Matter particles using very high energy gamma-ray Cherenkov telescopes is based on the model that WIMPs can self-annihilate, leading to production of detectable species, like photons. These photons are very energetic, and since unreflected by the Universe's magnetic fields, they can be traced straight to the source of their creation. The downside of the approach is a great amount of background radiation, coming from the conventional astrophysical objects, that usually hides clear signals of the Dark Matter particle interactions. That is why good choice of the observational candidates is the crucial factor in search for Dark Matter. With MAGIC (Major Atmospheric Gamma-ray Imaging Cherenkov Telescopes), a two-telescope ground-based system located in La Palma, Canary Islands, we choose objects like dwarf spheroidal satellite galaxies of the Milky Way and galaxy clusters for our search. Our idea is to increase chances for WIMPs detection by pointing to objects that are relatively close, with great amount of Dark Matter and with as-little-as-possible pollution from the stars. At the moment, several observation projects are ongoing and analyses are being performed.

The analysis of the framing processes of the Basque peace movement: The way Lokarri and Gesto por la Paz changed society

During more than 20 years organisations like Gesto por la Paz and Lokarri had been trying to change the social approach to violence, instilling values of peace and dialogue. This working paper defends the idea that the work of these two organisations is key to understand the end of ETA violence and the lack of support that political violence has in the Basque Country. It develops the Basque peace frame generated by this movement and explains how this frame is present in the different levels of Basque society, changing the way political collective identities are negotiated in the Basque Country. Ultimately, their effort is to propose another way of doing politics, one where nationalism and violence are not intrinsically united, escaping from the polarization and confrontation that were in place during the 80s-90s.

An alternative approach to fundamental general physics concepts

An alternative approach to the fundamental general physics concepts has been proposed. We demonstrate that the electrostatic potential energy of a discrete or a continuous system of charges should be stored by the charges and not the field. It is found that there is a possibility that any electric field has no energy density, as well as magnetic field. It is found that there is no direct relation between the electric or magnetic energy and photons. An alternative derivation of the blackbody radiation formula is proposed. It is also found that the zero-point of energy of electromagnetic radiation may not exist.

Vibration and two-photon absorption

The rigorous and transparent treatment of the effects of nuclear vibrational motion in two-photon absorption (TPA) was discussed. Perturbation formula for diatomic molecules were developed and applied to the X¹Σ+–A¹Π transition in CO. The analysis showed that the vibrations played an important role in TPA, just as their role in the calculation of conventional nonlinear optical (NLO) hyperpolarizabilities

Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities

Compact expressions, complete through second order in electrical and/or mechanical anharmonicity, are given for the dynamic dipole vibrational polarizability and dynamic first and second vibrational hyperpolarizabilities. Certain contributions not previously formulated are now included

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers

Restricted Hartree-Fock 6-31G calculations of electrical and mechanical anharmonicity contributions to the longitudinal vibrational second hyperpolarizability have been carried out for eight homologous series of conjugated oligomers - polyacetylene, polyyne, polydiacetylene, polybutatriene, polycumulene, polysilane, polymethineimine, and polypyrrole. To draw conclusions about the limiting infinite polymer behavior, chains containing up to 12 heavy atoms along the conjugated backbone were considered. In general, the vibrational hyperpolarizabilities are substantial in comparison with their static electronic counterparts for the dc-Kerr and degenerate four-wave mixing processes (as well as for static fields) but not for electric field-induced second harmonic generation or third harmonic generation. Anharmonicity terms due to nuclear relaxation are important for the dc-Kerr effect (and for the static hyperpolarizability) in the σ-conjugated polymer, polysilane, as well as the nonplanar π systems polymethineimine and polypyrrole. Restricting polypyrrole to be planar, as it is in the crystal phase, causes these anharmonic terms to become negligible. When the same restriction is applied to polymethineimine the effect is reduced but remains quantitatively significant due to the first-order contribution. We conclude that anharmonicity associated with nuclear relaxation can be ignored, for semiquantitative purposes, in planar π-conjugated polymers. The role of zero-point vibrational averaging remains to be evaluated

Linear response functions for a vibrational configuration interaction state

Linear response functions are implemented for a vibrational configuration interaction state allowing accurate analytical calculations of pure vibrational contributions to dynamical polarizabilities. Sample calculations are presented for the pure vibrational contributions to the polarizabilities of water and formaldehyde. We discuss the convergence of the results with respect to various details of the vibrational wave function description as well as the potential and property surfaces. We also analyze the frequency dependence of the linear response function and the effect of accounting phenomenologically for the finite lifetime of the excited vibrational states. Finally, we compare the analytical response approach to a sum-over-states approach

Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing

A simple extended finite field nuclear relaxation procedure for calculating vibrational contributions to degenerate four-wave mixing (also known as the intensity-dependent refractive index) is presented. As a by-product one also obtains the static vibrationally averaged linear polarizability, as well as the first and second hyperpolarizability. The methodology is validated by illustrative calculations on the water molecule. Further possible extensions are suggested

Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions

In the static field limit, the vibrational hyperpolarizability consists of two contributions due to: (1) the shift in the equilibrium geometry (known as nuclear relaxation), and (2) the change in the shape of the potential energy surface (known as curvature). Simple finite field methods have previously been developed for evaluating these static field contributions and also for determining the effect of nuclear relaxation on dynamic vibrational hyperpolarizabilities in the infinite frequency approximation. In this paper the finite field approach is extended to include, within the infinite frequency approximation, the effect of curvature on the major dynamic nonlinear optical processes

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

In the finite field (FF) treatment of vibrational polarizabilities and hyperpolarizabilities, the field-free Eckart conditions must be enforced in order to prevent molecular reorientation during geometry optimization. These conditions are implemented for the first time. Our procedure facilities identification of field-induced internal coordinates that make the major contribution to the vibrational properties. Using only two of these coordinates, quantitative accuracy for nuclear relaxation polarizabilities and hyperpolarizabilities is achieved in π-conjugated systems. From these two coordinates a single most efficient natural conjugation coordinate (NCC) can be extracted. The limitations of this one coordinate approach are discussed. It is shown that the Eckart conditions can lead to an isotope effect that is comparable to the isotope effect on zero-point vibrational averaging, but with a different mass-dependence

Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates

An analytical set of field-induced coordinates is defined and is used to show that the vibrational degrees of freedom required to completely describe nuclear relaxation polarizabilities and hyperpolarizabilities is reduced from 3N-6 to a relatively small number. As this number does not depend upon the size of the molecule, the process provides computational advantages. A method is provided to separate anharmonic contributions from harmonic contributions as well as effective mechanical from electrical anharmonicity. The procedures are illustrated by Hartree-Fock calculations, indicating that anharmonicity can be very important

Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs)

Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6

Electrical property derivative expressions are presented for the nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties. For CF4 and SF6, as opposed to HF and CH4, a term that is quadratic in the vibrational anharmonicity (and not previously evaluated for any molecule) makes an important contribution to the static second vibrational hyperpolarizability of CF4 and SF6. A comparison between calculated and experimental values for the difference between the (anisotropic) Kerr effect and electric field induced second-harmonic generation shows that, at the Hartree-Fock level, the nuclear relaxation/infinite frequency approximation gives the correct trend (in the series CH4, CF4, SF6) but is of the order of 50% too small