A 2.5D coupled FE-BE model for the prediction of railway induced vibrations

Ground vibrations induced by railway traffic at grade and in tunnels are often studied by means of two-and-half dimensional (2.5D) models that are based on a Fourier transform of the coordinate in the longitudinal direction of the track. In this paper, the need for 2.5D coupled finite element-boundary element models is demonstrated in two cases where the prediction of railway induced vibrations is considered. A recently proposed novel 2.5D methodology is used where the finite element method is combined with a boundary element method, based on a regularized boundary integral equation. In the formulation of the boundary integral equation, Green's functions of a layered elastic halfspace are used, so that no discretization of the free surface or the layer interfaces is required. In the first case, two alternative models for a ballasted track on an embankment are compared. In the first model, the ballast and the embankment are modelled as a continuum using 2.5D solid elements, whereas a simplified beam representation is adopted in the second model. The free field vibrations predicted by both models are compared to those measured during a passage of the TGVA at a site in Reugny (France). A very large difference is found for the free field response of both models that is due to the fact that the deformation of the cross section of the embankment is disregarded in the simplified representation. In the second case, the track and free field response due to a harmonic load in a tunnel embedded in a layered halfspace are considered. A simplified methodology based on the use of the full space Green's function in the tunnel–soil interaction problem is investigated. It is shown that the rigorous finite element-boundary element method is required when the distance between the tunnel and the free surface and the layer interfaces of the halfspace is small compared to the wavelength in the soil.Junta de Andalucía IAC08-II-3343Ministerio de Educación y Ciencia JC2008-0013

La lipomatosi congenita infiltrante del volto. Caso Clinico

Congenital infiltrating lipomatosis of the face, first described by Beck in 1836, is a rare condition of unknown etiology, characterized by widespread infiltration of mature fat cells in the context of tissues softening of the face, with associated consequent bone deformities. It is presented as an isolated or associated condition hemimegalencephaly and neurocutaneous syndromes. We describe the case of a 10-year-old patient with known lipomatosis congenital of the face, arrived at our structure for follow up with Computed Tomography (CT) and Resonance Magnetic (RM) .

Stochastic dynamics of model proteins on a directed graph

A method for reconstructing the energy landscape of simple polypeptidic chains is described. We show that we can construct an equivalent representation of the energy landscape by a suitable directed graph. Its topological and dynamical features are shown to yield an effective estimate of the time scales associated with the folding and with the equilibration processes. This conclusion is drawn by comparing molecular dynamics simulations at constant temperature with the dynamics on the graph, defined by a temperature dependent Markov process. The main advantage of the graph representation is that its dynamics can be naturally renormalized by collecting nodes into "hubs", while redefining their connectivity. We show that both topological and dynamical properties are preserved by the renormalization procedure. Moreover, we obtain clear indications that the heteropolymers exhibit common topological properties, at variance with the homopolymer, whose peculiar graph structure stems from its spatial homogeneity. In order to obtain a clear distinction between a "fast folder" and a "slow folder" in the heteropolymers one has to look at kinetic features of the directed graph. We find that the average time needed to the fast folder for reaching its native configuration is two orders of magnitude smaller than its equilibration time, while for the bad folder these time scales are comparable. Accordingly, we can conclude that the strategy described in this paper can be successfully applied also to more realistic models, by studying their renormalized dynamics on the directed graph, rather than performing lengthy molecular dynamics simulations.Comment: 15 pages, 12 figure

Dynamic & Cyclic behaviour of ballast in the long term as determined in Cedex's track box

The 6 cylinder servo-hydraulic loading system of CEDEX's track box (250 kN, 50 Hz) has been recently implemented with a new piezoelectric loading system (±20 kN, 300 Hz) allowing the incorporation of low amplitude high frequency dynamic load time histories to the high amplitude low frequency quasi-static load time histories used so far in the CEDEX's track box to assess the inelastic long term behavior of ballast under mixed traffic in conventional and high- speed lines. This presentation will discuss the results obtained in the first long-duration test performed at CEDEX's track box using simultaneously both loading systems, to simulate the pass-by of 6000 freight vehicles (1M of 225 kN axle loads) travelling at a speed of 120 km/h over a line with vertical irregularities corresponding to a medium quality lin3e level. The superstructure of the track tested at full scale consisted of E 60 rails, stiff rail pads (mayor que 450 kN/mm), B90.2 sleepers with USP 0.10 N/mm and a 0.35 m thick ballast layer of ADIF first class. A shear wave velocity of 250 m/s can be assumed for the different layers of the track sub-base. The ballast long-term settlements will be compared with those obtained in a previous long-duration quasi- static test performed in the same track, for the RIVAS [EU co-funded] project, in which no dynamic loads where considered. Also, the results provided by a high diameter cyclic triaxial cell with ballast tested in full size will be commented. Finally, the progress made at CEDEX's Geotechnical Laboratory to reproduce numerically the long term behavior of ballast will be discussed

Subsea Compression Applications - Panel Session

TutorialThe use of Subsea gas compression technology for subsea re-injection and/or gas transport boosting represents a new and exciting application for rotating equipment, which will allow new gas/condensate field production opportunities, enhanced recovery of existing gas/condensate fields and cost effective production from marginal gas fields. This panel session includes short presentations on the benefits of subsea compression, an overview of currently ongoing projects, and recent advances and technologies that are available and/or under development for subsea gas compression. The panel session includes presentations from STATOIL, INTECSEA, MAN DIESEL & TURBO, GE OIL & GAS and DRESSER-RAND. The respective presentation titles are: DATUM I Compressor for Subsea Applications: Update on Qualification Efforts- Dresser-Rand; HOFIMTM Type Compressors for Subsea Applications – MAN Diesel & Turbo; Improving Recovery with Subsea Compression – INTECSEA; GE Oil & Gas Experience in Subsea Gas Compression technology Development – GE Oil & Gas; Realization of Subsea Gas Compression – Statoil

Uncertainty quantification for kinetic models in socio-economic and life sciences

Kinetic equations play a major rule in modeling large systems of interacting particles. Recently the legacy of classical kinetic theory found novel applications in socio-economic and life sciences, where processes characterized by large groups of agents exhibit spontaneous emergence of social structures. Well-known examples are the formation of clusters in opinion dynamics, the appearance of inequalities in wealth distributions, flocking and milling behaviors in swarming models, synchronization phenomena in biological systems and lane formation in pedestrian traffic. The construction of kinetic models describing the above processes, however, has to face the difficulty of the lack of fundamental principles since physical forces are replaced by empirical social forces. These empirical forces are typically constructed with the aim to reproduce qualitatively the observed system behaviors, like the emergence of social structures, and are at best known in terms of statistical information of the modeling parameters. For this reason the presence of random inputs characterizing the parameters uncertainty should be considered as an essential feature in the modeling process. In this survey we introduce several examples of such kinetic models, that are mathematically described by nonlinear Vlasov and Fokker--Planck equations, and present different numerical approaches for uncertainty quantification which preserve the main features of the kinetic solution.Comment: To appear in "Uncertainty Quantification for Hyperbolic and Kinetic Equations

Neuer Kopf, alte Ideen? : "Normalisierung" des Front National unter Marine Le Pen

In this article, it is investigated whether vibrational entropy (VE) is an important contribution to the free energy of globular proteins at ambient conditions. VE represents the major configurational-entropy contribution of these proteins. By definition, it is an average of the configurational entropies of the protein within single minima of the energy landscape, weighted by their occupation probabilities. Its large part originates from thermal motion of flexible torsion angles giving rise to the finite peak widths observed in torsion angle distributions. While VE may affect the equilibrium properties of proteins, it is usually neglected in numerical calculations as its consideration is difficult. Moreover, it is sometimes believed that all well-packed conformations of a globular protein have similar VE anyway. Here, we measure explicitly the VE for six different conformations from simulation data of a test protein. Estimates are obtained using the quasi-harmonic approximation for three coordinate sets, Cartesian, bond-angle-torsion (BAT), and a new set termed rotamer-degeneracy lifted BAT coordinates by us. The new set gives improved estimates as it overcomes a known shortcoming of the quasi-harmonic approximation caused by multiply populated rotamer states, and it may serve for VE estimation of macromolecules in a very general context. The obtained VE values depend considerably on the type of coordinates used. However, for all coordinate sets we find large entropy differences between the conformations, of the order of the overall stability of the protein. This result may have important implications on the choice of free energy expressions used in software for protein structure prediction, protein design, and NMR refinement

An integrated drug repurposing strategy for the rapid identification of potential SARS-CoV-2 viral inhibitors

The Coronavirus disease 2019 (COVID-19) is an infectious disease caused by the severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2). The virus has rapidly spread in humans, causing the ongoing Coronavirus pandemic. Recent studies have shown that, similarly to SARS-CoV, SARS-CoV-2 utilises the Spike glycoprotein on the envelope to recognise and bind the human receptor ACE2. This event initiates the fusion of viral and host cell membranes and then the viral entry into the host cell. Despite several ongoing clinical studies, there are currently no approved vaccines or drugs that specifically target SARS-CoV-2. Until an effective vaccine is available, repurposing FDA approved drugs could significantly shorten the time and reduce the cost compared to de novo drug discovery. In this study we attempted to overcome the limitation of in silico virtual screening by applying a robust in silico drug repurposing strategy. We combined and integrated docking simulations, with molecular dynamics (MD), Supervised MD (SuMD) and Steered MD (SMD) simulations to identify a Spike protein – ACE2 interaction inhibitor. Our data showed that Simeprevir and Lumacaftor bind the receptor-binding domain of the Spike protein with high affinity and prevent ACE2 interaction