2,213 research outputs found

    Inherent-Structure Dynamics and Diffusion in Liquids

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    The self-diffusion constant D is expressed in terms of transitions among the local minima of the potential (inherent structure, IS) and their correlations. The formulae are evaluated and tested against simulation in the supercooled, unit-density Lennard-Jones liquid. The approximation of uncorrelated IS-transition (IST) vectors, D_{0}, greatly exceeds D in the upper temperature range, but merges with simulation at reduced T ~ 0.50. Since uncorrelated IST are associated with a hopping mechanism, the condition D ~ D_{0} provides a new way to identify the crossover to hopping. The results suggest that theories of diffusion in deeply supercooled liquids may be based on weakly correlated IST.Comment: submitted to PR

    Imaging internal flows in a drying sessile polymer dispersion drop using Spectral Radar Optical Coherence Tomography (SR-OCT)

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    In this work, we present the visualization of the internal flows in a drying sessile polymer dispersion drop on hydrophilic and hydrophobic surfaces with Spectral Radar Optical Coherence Tomography (SR-OCT).We have found that surface features such as the initial contact angle and pinning of the contact line, play a crucial role on the flow direction and final shape of the dried drop. Moreover, imaging through selection of vertical slices using optical coherence tomography offers a feasible alternative compared to imaging through selection of narrow horizontal slices using confocal microscopy for turbid, barely transparent fluids

    Temperature dependence of the slip length in polymer melts at attractive surfaces

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    Using Couette and Poiseuille flow, we extract the temperature dependence of the slip length, δ\delta, from molecular dynamics simulations of a coarse-grained polymer model in contact with an attractive, corrugated surface. δ\delta is dictated by the ratio of bulk viscosity and surface mobility. At weakly attractive surfaces, a lubrication layer forms, δ\delta is large and increases upon cooling. Close to the glass transition temperature, TgT_ g, very large slip lengths are observed. At a more attractive surface, a``stick y surface layer" is build up, which gives rise to a small slip length. Upon cool ing, δ\delta decreases at high temperatures, passes through a minimum and grows upon approaching TgT_g. At strongly attractive surfaces, the Navier-slip condit ion fails to describe Couette and Poiseuille flow simultaneously. The simulation results are corroborated by a schematic, two-layer model suggesting that the ob servations do not depend on the details of the computational model.Comment: submitted to Phys. Rev. Let

    Ice Layer Spreading along a Solid Substrate during Solidification of Supercooled Water: Experiments and Modeling

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    The thermal influence of a solid wall on the solidification of a sessile supercooled water drop is experimentally investigated. The velocity of the initial ice layer propagating along the solid substrate prior to dendritic solidification is determined from videos captured using a high-speed video system. Experiments are performed for varying substrate materials and liquid supercooling. In contrast to recent studies at moderate supercooling, in the case of metallic substrates only a weak influence of the substrate’s thermal properties on the ice layer velocity is observed. Using the analytical solution of the two-phase Stefan problem, a semiempirical model for the ice layer velocity is developed. The experimental data are well described for all supercooling levels in the entire diffusion limited solidification regime. For higher supercooling, the model overestimates the freezing velocity due to kinetic effects during molecular attachment at the solid–liquid interface, which are not accounted for in the model. The experimental findings of the present work offer a new perspective on the design of anti-icing systems

    Extraction of shear viscosity in stationary states of relativistic particle systems

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    Starting from a classical picture of shear viscosity we construct a stationary velocity gradient in a microscopic parton cascade. Employing the Navier-Stokes ansatz we extract the shear viscosity coefficient η\eta. For elastic isotropic scatterings we find an excellent agreement with the analytic values. This confirms the applicability of this method. Furthermore for both elastic and inelastic scatterings with pQCD based cross sections we extract the shear viscosity coefficient η\eta for a pure gluonic system and find a good agreement with already published calculations.Comment: 17 pages, 7 figure

    Analysis of gut microbiota in rheumatoid arthritis patients. Disease-related dysbiosis and modifications induced by etanercept

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    A certain number of studies were carried out to address the question of how dysbiosis could affect the onset and development of rheumatoid arthritis (RA), but little is known about the reciprocal influence between microbiota composition and immunosuppressive drugs, and how this interaction may have an impact on the clinical outcome. The aim of this study was to characterize the intestinal microbiota in a groups of RA patients treatment-naïve, under methotrexate, and/or etanercept (ETN). Correlations between the gut microbiota composition and validated immunological and clinical parameters of disease activity were also evaluated. In the current study, a 16S analysis was employed to explore the gut microbiota of 42 patients affected by RA and 10 healthy controls. Disease activity score on 28 joints (DAS-28), erythrocyte sedimentation rate, C-reactive protein, rheumatoid factor, anti-cyclic citrullinated peptides, and dietary and smoking habits were assessed. The composition of the gut microbiota in RA patients free of therapy is characterized by several abnormalities compared to healthy controls. Gut dysbiosis in RA patients is associated with different serological and clinical parameters; in particular, the phylum of Euryarchaeota was directly correlated to DAS and emerged as an independent risk factor. Patients under treatment with ETN present a partial restoration of a beneficial microbiota. The results of our study confirm that gut dysbiosis is a hallmark of the disease, and shows, for the first time, that the anti-tumor necrosis factor alpha (TNF-α) ETN is able to modify microbial communities, at least partially restoring a beneficial microbiota

    Leading edge vortex formation and detachment on a flat plate undergoing simultaneous pitching and plunging motion: Experimental and computational study

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    This study focuses on the formation and detachment of a leading edge vortex (LEV) appearing on an airfoil when its effective angle of attack is dynamically changed, inducing additional forces and moments on the airfoil. Experimental measurements of the time-resolved velocity field using Particle Image Velocimetry (PIV) are complemented by a computational study using an URANS (Unsteady Reynolds-Averaged Navier–Stokes) framework. In this framework a transition-sensitive Reynolds-stress model of turbulence, proposed by Maduta et al. (2018), which combines the near-wall Reynolds-Stress model by Jakirlic and Maduta (2015) and a phenomenological transition model governing the pre-turbulent kinetic energy by Walters and Cokljat (2008), is employed. Combined pitching and plunging kinematics of the investigated flat plate airfoil enable the effective inflow angle to be arbitrarily prescribed. A qualitative assessment of flow fields and a quantitative comparison of LEV characteristics in terms of its center position and circulation as well as an investigation of the mechanism causing the vortex to stop accumulating circulation revealed close agreement between the experimental and simulation results. Further considerations of the lift contribution from the pressure and suction side of the airfoil to the overall lift indicates that the qualitative lift evolution is reproduced even if the pressure side contribution is neglected. This reveals important characteristics of such airfoil dynamics, which can be exploited in future experimental studies, where direct aerodynamic force and moment measurements are greatly inhibited by dominating inertial forces
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