In this work, we study the wetting of a surface decorated with one nanogroove by a bulk Lennard-Jones liquid at various temperatures and densities. We used atomistic simulations aimed at computing the free energy of the stable and metastable states of the system, as well as the intermediate states separating them. We found that the usual description in terms of Cassie-Baxter and Wenzel states is insufficient, as the system presents two states of the Cassie-Baxter type. These states are characterized by different curvatures of the meniscus. The measured free energy barrier separating the Cassie-Baxter from the Wenzel state (and vice versa) largely exceeds the thermal energy, attesting the existence of Cassie-Baxter/Wenzel metastabilities. Finally, we found that the Cassie-Baxter/Wenzel transition follows an asymmetric path, with the formation of a liquid finger on one side of the groove and a vapor bubble on the opposite side.

In this Letter, we develop a continuum theory for the Cassie-Baxter-Wenzel (CB-W) transition. The proposed model accounts for the metastabilities in the wetting of rough hydrophobic surfaces, allows us to reconstruct the transition mechanism, and identifies the free energy barriers separating the CB and W states as a function of the liquid pressure. This information is crucial in the context of superhydrophobic surfaces, where there is interest in extending the duration of the metastable superhydrophobic CB state. The model is validated against free energy atomistic simulations.

We study the two main phenomenologies associated with the transport of inertial particles in turbulent flows, turbophoresis and small-scale clustering. Turbophoresis describes the turbulence-induced wall accumulation of particles dispersed in wall turbulence, while small-scale clustering is a form of local segregation that affects the particle distribution in the presence of fine-scale turbulence. Despite the fact that the two aspects are usually addressed separately, this paper shows that they occur simultaneously in wall-bounded flows, where they represent different aspects of the same process. We study these phenomena by post-processing data from a direct numerical simulation of turbulent channel flow with different populations of inertial particles. It is shown that artificial domain truncation can easily alter the mean particle concentration profile, unless the domain is large enough to exclude possible correlation of the turbulence and the near-wall particle aggregates. The data show a strong link between accumulation level and clustering intensity in the near-wall region. At statistical steady state, most accumulating particles aggregate in strongly directional and almost filamentary structures, as found by considering suitable two-point observables able to extract clustering intensity and anisotropy. The analysis provides quantitative indications of the wall-segregation process as a function of the particle inertia. It is shown that, although the most wall-accumulating particles are too heavy to segregate in homogeneous turbulence, they exhibit the most intense local small-scale clustering near the wall as measured by the singularity exponent of the particle pair correlation function

The Cahn–Hilliard model is increasingly often being used in combination with the incompressible Navier–Stokes equation to describe unsteady binary fluids in a variety of applications ranging from turbulent two-phase flows to microfluidics. The thickness of the interface between the two bulk fluids and the mobility are the main parameters of the model. For real fluids they are usually too small to be directly used in numerical simulations. Several authors proposed criteria for the proper choice of interface thickness and mobility in order to reach the so-called ‘sharp-interface limit’. In this paper the problem is approached by a formal asymptotic expansion of the governing equations. It is shown that the mobility is an effective parameter to be chosen proportional to the square of the interface thickness. The theoretical results are confirmed by numerical simulations for two prototypal flows, namely capillary waves riding the interface and droplets coalescence. The numerical analysis of two different physical problems confirms the theoretical findings and establishes an optimal relationship between the effective parameters of the model.

The paper describes the energy fluxes simultaneously occurring in the space of scales and in the physical space of wall-turbulent flows. The unexpected behaviour of the energy fluxes consists of spiral-like paths in the combined physical/scale space where the controversial reverse energy cascade plays a central role. Two dynamical processes are identified as driving mechanisms for the fluxes, one in the near-wall region and a second one further away from the wall. The former, stronger, one is related to the dynamics involved in the near-wall turbulence regeneration cycle. The second suggests an outer self-sustaining mechanism which is asymptotically expected to take place in the eventual log layer and could explain the debated mixed inner/outer scaling of the near-wall statistics. The observed behaviour may have strong repercussions on both theoretical and modelling approaches to wall turbulence, as anticipated by a simple equation which is shown able to capture most of the rich dynamics of the shear-dominated region of the flow.