Comparison between empirical formulae of intake vortices

The hydrodynamic properties of free surface vortices at hydraulic intakes were investigated. Based on the axisymmetric Navier-Stokes equations and empirical assumptions, two sets of formulations for the velocity distributions and the free surface profiles are proposed and validated against measurements available in the literature. Compared with previous formulae, the modifications based on Mih's formula are found to greatly improve the agreement with the experimental data. Physical model tests were also conducted to study the intake vortex of the Xiluodu hydroelectric project in China. The proposed velocity distribution formula was applied to the solid boundary as considered by the method of images. A good agreement was again observed between the prediction and the measurements. © 2011 International Association for Hydro-Environment Engineering and Research.

Turbulent flow structure in experimental laboratory wind-generated gravity waves

This paper is the third part of a report on systematic measurements and analyses of wind-generated water waves in a laboratory environment. The results of the measurements of the turbulent flow on the water side are presented here, the details of which include the turbulence structure, the correlation functions, and the length and velocity scales. It shows that the mean turbulent velocity profiles are logarithmic, and the flows are hydraulically rough. The friction velocity in the water boundary layer is an order of magnitude smaller than that in the wind boundary layer. The level of turbulence is enhanced immediately beneath the water surface due to micro-breaking, which reflects that the Reynolds shear stress is of the order u *w 2. The vertical velocities of the turbulence are related to the relevant velocity scale at the still-water level. The autocorrelation function in the vertical direction shows features of typical anisotropic turbulence comprising a large range of wavelengths. The ratio between the microscale and macroscale can be expressed as λ/Λ=a Re Λ n, with the exponent n slightly different from -1/2, which is the value when turbulence production and dissipation are in balance. On the basis of the wavelength and turbulent velocity, the free-surface flows in the present experiments fall into the wavy free-surface flow regime. The integral turbulent scale on the water side alone underestimates the degree of disturbance at the free surface. © 2012 Elsevier B.V.

Shallow water equations: Magic and limitations

D Liang from Cambridge University explains the shallow water equations and their applications to the dam-break and other steep-fronted flow modeling. They assume that the horizontal scale of the flow is much greater than the vertical scale, which means the flow is restricted within a thin layer, thus the vertical momentum is insignificant and the pressure distribution is hydrostatic. The left hand sides of the two momentum equations represent the acceleration of the fluid particle in the horizontal plane. If the fluid acceleration is ignored, then the two momentum equations are simplified into the so-called diffusion wave equations. In contrast to the SWEs approach, it is much less convenient to model floods with the Navier-Stokes equations. In conventional computational fluid dynamics (CFD), cumbersome treatments are needed to accurately capture the shape of the free surface. The SWEs are derived using the assumptions of small vertical velocity component, smooth water surface, gradual variation and hydrostatic pressure distribution.

X-ray observation of micro-failures in granular piles approaching an avalanche

An X-ray imaging technique is used to probe the stability of 3-dimensional granular packs in a slowly rotating drum. Well before the surface reaches the avalanche angle, we observe intermittent plastic events associated with collective rearrangements of the grains located in the vicinity of the free surface. The energy released by these discrete events grows as the system approaches the avalanche threshold. By testing various preparation methods, we show that the pre-avalanche dynamics is not solely controlled by the difference between the free surface inclination and the avalanche angle. As a consequence, the measure of the pre-avalanche dynamics is unlikely to serve as a tool for predicting macroscopic avalanches.

Linear stability of miscible two-fluid flow down an incline

We show that miscible two-layer free-surface flows of varying viscosity down an inclined substrate are different in their stability characteristics from both immiscible two-layer flows, and flows with viscosity gradients spanning the entire flow. New instability modes arise when the critical layer of the viscosity transport equation overlaps the viscosity gradient. A lubricating configuration with a less viscous wall layer is identified to be the most stabilizing at moderate miscibility (moderate Peclet numbers). This also is in contrast with the immiscible case, where the lubrication configuration is always destabilizing. The co-existence that we find under certain circumstances, of several growing overlap modes, the usual surface mode, and a Tollmien-Schlichting mode, presents interesting new possibilities for nonlinear breakdown. © 2013 AIP Publishing LLC.

Free energy surface reconstruction from umbrella samples using Gaussian process regression

We demonstrate how the Gaussian process regression approach can be used to efficiently reconstruct free energy surfaces from umbrella sampling simulations. By making a prior assumption of smoothness and taking account of the sampling noise in a consistent fashion, we achieve a significant improvement in accuracy over the state of the art in two or more dimensions or, equivalently, a significant cost reduction to obtain the free energy surface within a prescribed tolerance in both regimes of spatially sparse data and short sampling trajectories. Stemming from its Bayesian interpretation the method provides meaningful error bars without significant additional computation. A software implementation is made available on www.libatoms.org.

Free energy surface reconstruction from umbrella samples using Gaussian process regression II: Multiple collective variables

We demonstrate how a prior assumption of smoothness can be used to enhance the reconstruction of free energy profiles from multiple umbrella sampling simulations using the Bayesian Gaussian process regression approach. The method we derive allows the concurrent use of histograms and free energy gradients and can easily be extended to include further data. In Part I we review the necessary theory and test the method for one collective variable. We demonstrate improved performance with respect to the weighted histogram analysis method and obtain meaningful error bars without any significant additional computation. In Part II we consider the case of multiple collective variables and compare to a reconstruction using least squares fitting of radial basis functions. We find substantial improvements in the regimes of spatially sparse data or short sampling trajectories. A software implementation is made available on www.libatoms.org.

Surface attachment of protein fibrils via covalent modification strategies.

Chemical control of surface functionality and topography is an essential requirement for many technological purposes. In particular, the covalent attachment of monomeric proteins to surfaces has been the object of intense studies in recent years, for applications as varied as electrochemistry, immuno-sensing, and the production of biocompatible coatings. Little is known, however, about the characteristics and requirements underlying surface attachment of supramolecular protein nanostructures. Amyloid fibrils formed by the self-assembly of peptide and protein molecules represent one important class of such structures. These highly organized beta-sheet-rich assemblies are a hallmark of a range of neurodegenerative disorders, including Alzheimer's disease and type II diabetes, but recent findings suggest that they have much broader significance, potentially representing the global free energy minima of the energy landscapes of proteins and having potential applications in material science. In this paper, we describe strategies for attaching amyloid fibrils formed from different proteins to gold surfaces under different solution conditions. Our methods involve the reaction of sulfur containing small molecules (cystamine and 2-iminothiolane) with the amyloid fibrils, enabling their covalent linkage to gold surfaces. We demonstrate that irreversible attachment using these approaches makes possible quantitative analysis of experiments using biosensor techniques, such as quartz crystal microbalance (QCM) assays that are revolutionizing our understanding of the mechanisms of amyloid growth and the factors that determine its kinetic behavior. Moreover, our results shed light on the nature and relative importance of covalent versus noncovalent forces acting on protein superstructures at metal surfaces.