The effect of the lateral interactions on the critical behavior of long straight rigid rods on two-dimensional lattices

Using Monte Carlo simulations and finite-size scaling analysis, the critical behavior of attractive rigid rods of length k (k-mers) on square lattices at intermediate density has been studied. A nematic phase, characterized by a big domain of parallel k-mers, was found. This ordered phase is separated from the isotropic state by a continuous transition occurring at a intermediate density \theta_c, which increases linearly with the magnitude of the lateral interactions.Comment: 7 pages, 6 figure

Cloud services, interoperability and analytics within a ROLE-enabled personal learning environment

The ROLE project (Responsive Open Learning Environments, EU 7th Framework Programme, grant agreement no.: 231396, 2009-2013) was focused on the next generation of Personal Learning Environments (PLEs). A ROLE PLE is a bundle of interoperating widgets - often realised as cloud services - used for teaching and learning. In this paper, we first describe the creation of new ROLE widgets and widget bundles at Galileo University, Guatemala, within a cloud-based infrastructure. We introduce an initial architecture for cloud interoperability services including the means for collecting interaction data as needed for learning analytics. Furthermore, we describe the newly implemented widgets, namely a social networking tool, a mind-mapping tool and an online document editor, as well as the modification of existing widgets. The newly created and modified widgets have been combined in two different bundles that have been evaluated in two web-based courses at Galileo University, with participants from three different Latin-American countries. We measured emotional aspects, motivation, usability and attitudes towards the environment. The results demonstrated the readiness of cloud-based education solutions, and how ROLE can bring together such an environment from a PLE perspective

Critical behavior of self-assembled rigid rods on triangular and honeycomb lattices

Using Monte Carlo simulations and finite-size scaling analysis, the critical behavior of self-assembled rigid rods on triangular and honeycomb lattices at intermediate density has been studied. The system is composed of monomers with two attractive (sticky) poles that, by decreasing temperature or increasing density, polymerize reversibly into chains with three allowed directions and, at the same time, undergo a continuous isotropic-nematic (IN) transition. The determination of the critical exponents, along with the behavior of Binder cumulants, indicate that the IN transition belongs to the q=1 Potts universality class.Comment: 6 pages, 5 figure

Scheme to measure squeezing and phase properties of a harmonic oscillator

We propose a simple scheme to measure squeezing and phase properties of a harmonic oscillator. We treat in particular the case of a the field, but the scheme may be easily realized in ion traps. It is based on integral transforms of measured atomic properties as atoms exit a cavity. We show that by measuring atomic polarizations it is possible, after a given integration, to measure several properties of the field.Comment: Presented at XI Central European Workshop on Quantum Optics, Trieste, Italy, 18-20 July, 200

Critical behavior of long straight rigid rods on two-dimensional lattices: Theory and Monte Carlo simulations

The critical behavior of long straight rigid rods of length $k$ ($k$-mers) on square and triangular lattices at intermediate density has been studied. A nematic phase, characterized by a big domain of parallel $k$-mers, was found. This ordered phase is separated from the isotropic state by a continuous transition occurring at a intermediate density $\theta_c$. Two analytical techniques were combined with Monte Carlo simulations to predict the dependence of $\theta_c$ on $k$, being $\theta_c(k) \propto k^{-1}$. The first involves simple geometrical arguments, while the second is based on entropy considerations. Our analysis allowed us also to determine the minimum value of $k$ ($k_{min}=7$), which allows the formation of a nematic phase on a triangular lattice.Comment: 23 pages, 5 figures, to appear in The Journal of Chemical Physic

Entropy-driven phase transition in a system of long rods on a square lattice

The isotropic-nematic (I-N) phase transition in a system of long straight rigid rods of length k on square lattices is studied by combining Monte Carlo simulations and theoretical analysis. The process is analyzed by comparing the configurational entropy of the system with the corresponding to a fully aligned system, whose calculation reduces to the 1D case. The results obtained (1) allow to estimate the minimum value of k which leads to the formation of a nematic phase and provide an interesting interpretation of this critical value; (2) provide numerical evidence on the existence of a second phase transition (from a nematic to a non-nematic state) occurring at density close to 1 and (3) allow to test the predictions of the main theoretical models developed to treat the polymers adsorption problem.Comment: 14 pages, 6 figures. Accepted for publication in JSTA

A Diabatic Three-State Representation of Photoisomerization in the Green Fluorescent Protein Chromophore

We give a quantum chemical description of bridge photoisomerization reaction of green fluorescent protein (GFP) chromophores using a representation over three diabatic states. Bridge photoisomerization leads to non-radiative decay, and competes with fluorescence in these systems. In the protein, this pathway is suppressed, leading to fluorescence. Understanding the electronic structure of the photoisomerization is a prerequisite to understanding how the protein suppresses this pathway and preserves the emitting state of the chromophore. We present a solution to the state-averaged complete active space problem, which is spanned at convergence by three fragment-localized orbitals. We generate the diabatic-state representation by applying a block diagonalization transformation to the Hamiltonian calculated for the anionic chromophore model HBDI with multi-reference, multi-state perturbation theory. The diabatic states that emerge are charge-localized structures with a natural valence-bond interpretation. At planar geometries, the diabatic picture recaptures the charge transfer resonance of the anion. The strong S0-S1 excitation at these geometries is reasonably described within a two-state model, but extension to a three-state model is necessary to describe decay via two possible pathways associated with photoisomerization of the (methine) bridge. Parametric Hamiltonians based on the three-state ansatz can be fit directly to data generated using the underlying active space. We provide an illustrative example of such a parametric Hamiltonian