Influence of moving breathers on vacancies migration

A vacancy defect is described by a Frenkel--Kontorova model with a discommensuration. This vacancy can migrate when interacts with a moving breather. We establish that the width of the interaction potential must be larger than a threshold value in order that the vacancy can move forward. This value is related to the existence of a breather centred at the particles adjacent to the vacancy.Comment: 11 pages, 10 figure

Bubble generation in a twisted and bent DNA-like model

The DNA molecule is modeled by a parabola embedded chain with long-range interactions between twisted base pair dipoles. A mechanism for bubble generation is presented and investigated in two different configurations. Using random normally distributed initial conditions to simulate thermal fluctuations, a relationship between bubble generation, twist and curvature is established. An analytical approach supports the numerical results.Comment: 7 pages, 8 figures. Accepted for Phys. Rev. E (in press

Crystal structures and proton dynamics in potassium and cesium hydrogen bistrifluoroacetate salts with strong symmetric hydrogen bonds

The crystal structures of potassium and cesium bistrifluoroacetates were determined at room temperature and at 20 K and 14 K, respectively, with the single crystal neutron diffraction technique. The crystals belong to the I2/a and A2/a monoclinic space groups, respectively, and there is no visible phase transition. For both crystals, the trifluoroacetate entities form dimers linked by very short hydrogen bonds lying across a centre of inversion. Any proton disorder or double minimum potential can be rejected. The inelastic neutron scattering spectral profiles in the OH stretching region between 500 and 1000 cm^{-1} previously published [Fillaux and Tomkinson, Chem. Phys. 158 (1991) 113] are reanalyzed. The best fitting potential has the major characteristics already reported for potassium hydrogen maleate [Fillaux et al. Chem. Phys. 244 (1999) 387]. It is composed of a narrow well containing the ground state and a shallow upper part corresponding to dissociation of the hydrogen bond.Comment: 31 pages, 7 figure

Nonlinearity-induced conformational instability and dynamics of biopolymers

We propose a simple phenomenological model for describing the conformational dynamics of biopolymers via the nonlinearity-induced buckling and collapse (i.e. coiling up) instabilities. Taking into account the coupling between the internal and mechanical degrees of freedom of a semiflexible biopolymer chain, we show that self-trapped internal excitations (such as amide-I vibrations in proteins, base-pair vibrations in DNA, or polarons in proteins) may produce the buckling and collapse instabilities of an initially straight chain. These instabilities remain latent in a straight infinitely long chain, because the bending of such a chain would require an infinite energy. However, they manifest themselves as soon as we consider more realistic cases and take into account a finite length of the chain. In this case the nonlinear localized modes may act as drivers giving impetus to the conformational dynamics of biopolymers. The buckling instability is responsible, in particular, for the large-amplitude localized bending waves which accompany the nonlinear modes propagating along the chain. In the case of the collapse instability, the chain folds into a compact three-dimensional coil. The viscous damping of the aqueous environment only slows down the folding of the chain, but does not stop it even for a large damping. We find that these effects are only weakly affected by the peculiarities of the interaction potentials, and thus they should be generic for different models of semiflexible chains carrying nonlinear localized excitations.Comment: 4 pages (RevTeX) with 5 figures (EPS

Energy localization and shape transformations in semiflexible polymer rings

Shape transformations in driven and damped molecular chains are considered. Closed chains of weakly coupled molecular subunits under the action of spatially homogeneous time-periodic external field are studied. The coupling between the internal excitations and the bending degrees of freedom of the chain modifies the local bending rigidity of the chain. In the absence of driving the array takes a circular shape.When the energy pumped into the system exceeds some critical value the chain undergoes a nonequilibrium phase transition: The circular shape of the aggregate becomes unstable and the chain takes the shape of an ellipse or, in general, of a polygon. The excitation energy distribution becomes spatially nonuniform: It localizes in such places where the chain is more flat. The weak interaction of the chain with a flat surface restricts the dynamics to a flat manifold.Y.B.G. acknowledges partial financial support from a special program of the National Academy of Sciences of Ukraine, and is thankful to the Department of Applied Mathematics and Computer Science and the Department of Physics, Technical University of Denmark as well as the University of Seville for hospitality. J.F.R.A acknowledges Grant No. 2011/FQM-280 from CEICE, Junta de Andalucia Spain. J.F.R.A. and V.J.S.-M. acknowledge financial support from Project No. FIS2015-65998-C2-2-P from MINECO, Spain.Gaididei, YB.; Archilla, JFR.; Sánchez Morcillo, VJ.; Gorria, C. (2016). Energy localization and shape transformations in semiflexible polymer rings. Physical Review E. 93(6):062227-1-062227-9. https://doi.org/10.1103/PhysRevE.93.062227S062227-1062227-993

Alternative soot detection strategies for application in aero-engine test-beds : assessment of the performance and uncertainties of time-integrated LII

We describe a laser induced incandescence (LII) measurement system for 2D mapping of non-volatile particulate matter (soot) in full-scale aero-engine exhausts. Simulation allows us to quantify the sensitivity of the measurement to variation in physical properties such as primary particle size, over a range of laser fluences and as a function of beam diameter. We discuss the implications of our results for optimisation and calibration of soot imaging in exhaust streams

Practical Guidelines for Perioperative Hypersensitivity Reactions

Perioperative hypersensitivity reactions constitute a first-line problem for anesthesiologists and allergists. Therefore, hospitals should have a consensus protocol for the diagnosis and management of these reactions. However, this kind of protocol is not present in many hospitals, leading to problems with treatment, reporting of incidents, and subsequent etiological diagnosis. In this document, we present a systematic review of the available scientific evidence and provide general guidelines for the management of acute episodes and for referral of patients with perioperative hypersensitivity reactions to allergy units. Members of the Drug Allergy Committee of the Spanish Society of Allergy and Clinical Immunology (SEAIC) have created this document in collaboration with members of the Spanish Anesthesia Society (SEDAR). A practical algorithm is proposed for the etiologic diagnosis, and recommendations are provided for the management of hypersensitive patients

Discrete breathers in ϕ4\phi^4 and related models

We touch upon the wide topic of discrete breather formation with a special emphasis on the the $\phi^4$ model. We start by introducing the model and discussing some of the application areas/motivational aspects of exploring time periodic, spatially localized structures, such as the discrete breathers. Our main emphasis is on the existence, and especially on the stability features of such solutions. We explore their spectral stability numerically, as well as in special limits (such as the vicinity of the so-called anti-continuum limit of vanishing coupling) analytically. We also provide and explore a simple, yet powerful stability criterion involving the sign of the derivative of the energy vs. frequency dependence of such solutions. We then turn our attention to nonlinear stability, bringing forth the importance of a topological notion, namely the Krein signature. Furthermore, we briefly touch upon linearly and nonlinearly unstable dynamics of such states. Some special aspects/extensions of such structures are only touched upon, including moving breathers and dissipative variations of the model and some possibilities for future work are highlighted

Velhas tardes de domingo (Notas sobre Domingão do Faustão e Programa Silvio Santos)

Nas tardes de domingo,as duas maiores redes de televisão brasileiras apresentam programas de auditório: a Rede Globo de Televisão transmite Domingão do Faustão e o Sistema Brasileiro de Televisão veicula o Programa Silvio Santos. Este estudo traça um breve histórico desses dois programas, descreve rapidamente suas estruturas, e, a partir daí, delineia hipóteses sobre possíveis funções desses produtos televisivos junto aos espectadores.