Turbulence structure and interaction with steep breaking waves

Large-eddy and interface simulation using an interface tracking-based multi-fluid flow solver is conducted to investigate the breaking of steep water waves on a beach of constant bed slope. The present investigation focuses mainly on the ‘weak plunger' breaking wave type and provides a detailed analysis of the two-way interaction between the mean fluid flow and the sub-modal motions, encompassing wave dynamics and turbulence. The flow is analysed from two points of views: mean to sub-modal exchange, and wave to turbulence interaction within the sub-modal range. Wave growth and propagation are due to energy transfer from the mean flow to the waves, and transport of mean momentum by these waves. The vigorous downwelling-upwelling patterns developing at the head and tail of each breaker are shown to generate both negative- and positive-signed energy exchange contributions in the thin sublayer underneath the water surface. The details of these exchange mechanisms are thoroughly discussed in this paper, together with the interplay between three-dimensional small-scale breaking associated with turbulence and the dominant two-dimensional wave motion. A conditional zonal analysis is proposed for the first time to understand the transient mechanisms of turbulent kinetic energy production, decay, diffusion and transport and their dependence and/or impact on surface wrinkling over the entire breaking process. The simulations provide a thorough picture of air-liquid coherent structures that develop over the breaking process, and link them to the transient mechanisms responsible for their local incidenc

Molecular modeling of hair keratin/peptide complex : using MM-PBSA calculations to describe experimental binding results

Molecular dynamics simulations of a keratin/peptide complex have been conducted to predict the binding affinity of four different peptides toward human hair. Free energy calculations on the peptides' interaction with the keratin model demonstrated that electrostatic interactions are believed to be the main driving force stabilizing the complex. The molecular mechanics–Poisson-Boltzmann surface area methodology used for the free energy calculations demonstrated that the dielectric constant in the protein's interior plays a major role in the free energy calculations, and the only way to obtain accordance between the free energy calculations and the experimental binding results was to use the average dielectric constant.Grant sponsor: Contract Research Program "Compromisso com a Ciencia''; Grant number: C2008-UMINHO-CQ-03; Grant sponsor: FCT "Fundacao para a Ciencia e Tecnologia'' (PhD); Grant number: SFRH/BD/38363/200

Modeling on fluid flow and inclusion motion in centrifugal continuous casting strands

During the centrifugal continuous casting process, unreasonable casting parameters can cause violent level fluctuation, serious gas entrainment, and formation of frozen shell pieces at the meniscus. Thus, in the current study, a three-dimensional multiphase turbulent model was established to study the transport phenomena during centrifugal continuous casting process. The effects of nozzle position, casting and rotational speed on the flow pattern, centrifugal force acting on the molten steel, level fluctuation, gas entrainment, shear stress on mold wall, and motion of inclusions during centrifugal continuous casting process were investigated. Volume of Fluid model was used to simulate the molten steel-air two-phase. The level fluctuation and the gas entrainment during casting were calculated by user-developed subroutines. The trajectory of inclusions in the rotating system was calculated using the Lagrangian approach. The results show that during centrifugal continuous casting, a large amount of gas was entrained into the molten steel, and broken into bubbles of various sizes. The greater the distance to the mold wall, the smaller the centrifugal force. Rotation speed had the most important influence on the centrifugal force distribution at the side region. Angular moving angle of the nozzle with 8° and keeping the rotation speed with 60 revolutions per minute can somehow stabilize the level fluctuation. The increase of angular angle of nozzle from 8 to 18 deg and rotation speed from 40 to 80 revolutions per minute favored to decrease the total volume of entrained bubbles, while the increase of distance of nozzle moving left and casting speed had reverse effects. The trajectories of inclusions in the mold were irregular, and then rotated along the strand length. After penetrating a certain distance, the inclusions gradually moved to the center of billet and gathered there. More work, such as the heat transfer, the solidification, and the inclusions entrapment during centrifugal continuous casting, will be performed