75 research outputs found

    Structural and ultrametric properties of twenty(L-alanine)

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    We study local energy minima of twenty(L-alanine). The minima are generated using high-temperature Molecular Dynamics and Chain-Growth Monte Carlo simulations, with subsequent minimization. We find that the lower-energy configurations are α \alpha -helices for a wide range of dielectric constant values (ϵ=1,10,80), (\epsilon = 1,10,80), and that there is no noticeable difference between the distribution of energy minima in ϕψ \phi \psi space for different values of ϵ. \epsilon . Ultrametricity tests show that lower-energy (α (\alpha -helical) ϵ=1 \epsilon =1 configurations form a set which is ultrametric to a certain degree, providing evidence for the presence of fine structure among those minima. We put forward a heuristic argument for this fine structure. We also find evidence for ultrametricity of a different kind among ϵ=10 \epsilon =10 and ϵ=80 \epsilon =80 energy minima. We analyze the distribution of lengths of α \alpha -helical portions among the minimized configurations and find a persistence phenomenon for the ϵ=1 \epsilon =1 ones, in qualitative agreement with previous studies of critical lengths. Email contact: [email protected]: Saclay-T93/025 Email: [email protected]

    Field theoretic approach to the counting problem of Hamiltonian cycles of graphs

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    A Hamiltonian cycle of a graph is a closed path that visits each site once and only once. I study a field theoretic representation for the number of Hamiltonian cycles for arbitrary graphs. By integrating out quadratic fluctuations around the saddle point, one obtains an estimate for the number which reflects characteristics of graphs well. The accuracy of the estimate is verified by applying it to 2d square lattices with various boundary conditions. This is the first example of extracting meaningful information from the quadratic approximation to the field theory representation.Comment: 5 pages, 3 figures, uses epsf.sty. Estimates for the site entropy and the gamma exponent indicated explicitl

    Seeing Tree Structure from Vibration

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    Humans recognize object structure from both their appearance and motion; often, motion helps to resolve ambiguities in object structure that arise when we observe object appearance only. There are particular scenarios, however, where neither appearance nor spatial-temporal motion signals are informative: occluding twigs may look connected and have almost identical movements, though they belong to different, possibly disconnected branches. We propose to tackle this problem through spectrum analysis of motion signals, because vibrations of disconnected branches, though visually similar, often have distinctive natural frequencies. We propose a novel formulation of tree structure based on a physics-based link model, and validate its effectiveness by theoretical analysis, numerical simulation, and empirical experiments. With this formulation, we use nonparametric Bayesian inference to reconstruct tree structure from both spectral vibration signals and appearance cues. Our model performs well in recognizing hierarchical tree structure from real-world videos of trees and vessels.Comment: ECCV 2018. The first two authors contributed equally to this work. Project page: http://tree.csail.mit.edu

    Two dimensional self-avoiding walk with hydrogen-like bonding: Phase diagram and critical behaviour

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    The phase diagram for a two-dimensional self-avoiding walk model on the square lattice incorporating attractive short-ranged interactions between parallel sections of walk is derived using numerical transfer matrix techniques. The model displays a collapse transition. In contrast to the standard θ\theta-point model, the transition is first order. The phase diagram in the full fugacity-temperature plane displays an additional transition line, when compared to the θ\theta-point model, as well as a critical transition at finite temperature in the hamiltonian walk limit.Comment: 22 pages, 13 figures. To appear in Journal of Physics

    Hamiltonian walks on Sierpinski and n-simplex fractals

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    We study Hamiltonian walks (HWs) on Sierpinski and nn--simplex fractals. Via numerical analysis of exact recursion relations for the number of HWs we calculate the connectivity constant ω\omega and find the asymptotic behaviour of the number of HWs. Depending on whether or not the polymer collapse transition is possible on a studied lattice, different scaling relations for the number of HWs are obtained. These relations are in general different from the well-known form characteristic of homogeneous lattices which has thus far been assumed to hold for fractal lattices too.Comment: 22 pages, 6 figures; final versio

    Income Attainment among Victims of Violence: Results From a Preliminary Study

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    Violent victimisation may have many short-term psychological and physical outcomes. Occasionally, the negative aftermath of violence persists over time or induces other and more far-reaching consequences. Income attainment after victimisation is one of these outcomes. To date, previous studies have focussed on the income effects of violent victimisation during childhood and adolescence. Violence exposure during the early stages of the life course may frustrate processes of educational and occupational attainment and consequentially result in lower income levels. However, in addition or alternatively, many other and age-independent pathways between violent victimisation and income may be suggested. Prior studies appear to have paid little attention to this issue. Therefore, the purpose of the current study was to explore whether violent victimisation is associated with income levels several years after victimisation, irrespective of the age at which victimisation occurs. Victims of violence were recruited through the Dutch Victim Compensation Fund. To preliminary estimate the effect of violent victimisation on income, a comparable control group of non-victims was composed. The study sample contained 206 victims and 173 non-victims. Both bivariate correlational and multivariate statistical techniques suggested that violent victimisation is a significant predictor of income. Implications of the presented results were discussed with regard to future research and policy practice

    Explaining the effect of rapid internationalization on horizontal foreign divestment in the retail sector. An extended penrosean perspective

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    Building on and extending Penrosean logic we argue that rapid international expansion by firms might lead to a breach of Penrosean constraints on efficient expansion and to subsequent divestment of international operations to bring firm scope back into Penrosean constraints. We further predict that intra-regional concentration and international experience moderate the above effect because they influence firms ability to avoid a breach of Penrosean constraints and/or weaken the consequences of such a breach. Using data on the international expansion and divestment of large retail MNEs over the period 2003-2012 we find empirical support for the proposed extended Penrose effect in explaining international divestment as well as for the moderating effects of intra-regional concentration and international experience. Our study contributes to the development of Penrosean logic and to our understanding of the factors that drive firms to divest overseas operations

    Shoot for the Stars? Predicting the Recruitment of Prestigious Directors at Newly Public Firms

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