arXiv subjects

Carlo Massimo Casciola

Publications and source records attributed to Carlo Massimo Casciola.

26 records · Page 2Linked to original sources

arXiv2016

Wetting and cavitation pathways on nanodecorated surfaces

In this contribution we study wetting and nucleation of vapor bubbles on nanodecorated surfaces via free energy molecular dynamics simulations. The results shed light on the stability of superhydrophobicity in submerged surfaces with nanoscale corrugations. The re-entrant geometry of the cavities under investigation is capable of sustaining a confined vapor phase within the surface roughness (Cassie state) both for hydrophobic and hydrophilic combinations of liquid and solid. The atomistic system is of nanometric size; on this scale thermally activated events can play an important role ultimately determining the lifetime of the Cassie state. Such superhydrophobic state can break down by full wetting of the texture at large pressures (Cassie-Wenzel transition) or by nucleating a vapor bubble at negative pressures (cavitation). Specialized rare event techniques show that several pathways for wetting and cavitation are possible, due to the complex surface geometry. The related free energy barriers are of the order of 100 k_B T and vary with pressure. The atomistic results are found to be in semi-quantitative accord with macroscopic capillarity theory. However, the latter is not capable of capturing the density fluctuations, which determine the destabilization of the confined liquid phase at negative pressures (liquid spinodal).

cond-mat.soft↗

arXiv2016

Intermittency and energy fluxes in the surface layer of free-surface turbulence

By analyzing hot-wire velocity data taken in an open channel flow, an unambiguous definition of surface-layer thickness is here provided in terms of the cross-over scale between backward and forward energy fluxes. It is shown that the turbulence in the surface layer does not conform to the classical description of two-dimensional turbulence, since the direct energy cascade persists at scales smaller than the cross-over scale, comparable with the distance from the free-surface. The multifractal analysis of the one-dimensional surrogate of the turbulent kinetic energy dissipation rate in terms of generalized dimensions and singularity spectrum indicates that intermittency is strongly depleted in the surface layer, as shown by the singularity spectrum contracted to a single point. The combination of intermittency indicators and energy fluxes allowed to identify the specific nature of the surface layer as alternative to classical paradigms of three- and two-dimensional turbulence which cannot fully capture the global behavior of turbulence near a free-surface.

physics.flu-dyn↗

arXiv2015

Modulation of current through a nanopore induced by a charged globule: implications for DNA-docking

The passage of DNA through a nanopore can be effectively decomposed into two distinct phases, docking and actual translocation. In experiments each phase is characterized by a distinct current signature which allows the discrimination of the two events. However, at low voltages a clear distinction of the two phases is lost. By using numerical simulations we clarify how the current signature associated to the docking events depends on the applied voltage. The simulations show that at small voltage the DNA globule enhances the pore conductance due to an enrichment of charge carriers. At high voltage, the globule drains substantial charge carriers from the pore region, thereby reducing the overall conductance. The results provide a new interpretation to the experimental data on conductance and show how docking interferes with the translocation signal, of potential interest for sequencing applications.

physics.bio-ph↗

arXiv2014

Shock formation in the collapse of a vapor nano-bubble

In this paper a diffuse-interface model featuring phase change, transition to supercritical conditions, thermal conduction, compressibility effects and shock wave propagation is exploited to deal with the dynamics of a cavitation bubble. At variance with previous descriptions, the model is uniformly valid for all phases (liquid, vapor and supercritical) and phase transitions involved, allowing to describe the non-equilibrium processes ongoing during the collapse. As consequence of this unitary description, rather unexpectedly for pure vapor bubbles, the numerical experiments show that the collapse is accompanied by the emission of a strong shock wave in the liquid and by the oscillation of the bubble that periodically disappears and reappears, due to transition to super/sub critical conditions. The mechanism of shock wave formation is strongly related to the transition of the vapor to supercritical state, with a progressive steepening of the compression wave to form the shock which is eventually reflected as an outward propagating wave in the liquid.

physics.flu-dyn↗

arXiv2014

Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods

The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method in the density field to the Cassie-Wenzel transition, a central problem in the field of superhydrophobicity. We discuss in detail the mechanism of wetting of a submerged hydrophobic cavity of nanometer size and its dependence on the geometry of the cavity. Furthermore, we discuss the algorithmic analogies between the string method and CREaM [Giacomello et al., Phys. Rev. Lett. 109, 226102 (2012)], a method inspired by the string that allows for a faster and simpler computation of the mechanism and of the free-energy profiles of the wetting process. This approach is general and can be employed in mesoscale and macroscopic calculations.

cond-mat.stat-mech↗

arXiv2014

Relaxation of a steep density gradient in a simple fluid: comparison between atomistic and continuum modeling

We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities are greater than the molecular scale (10 times the molecular size). In presence of molecular scale features some of the continuum fields (e.g. density and momentum) are in good agreement with atomistic counterparts, but are smoother. On the contrary, other fields, such at the temperature field, present very large difference with respect to reference (atomistic) ones. This is due to the limited accuracy of some of the empirical relations used in continuum models, the equation of state of the fluid in the example considered.

cond-mat.stat-mech↗

arXiv2014

Turbulent mixing of a slightly supercritical Van der Waals fluid at Low-Mach number

Supercritical fluids near the critical point are characterized by liquid-like densities and gas-like transport properties. These features are purposely exploited in different contexts ranging from natural products extraction/fractionation to aerospace propulsion. Large part of studies concerns this last context, focusing on the dynamics of supercritical fluids at high Mach number where compressibility and thermodynamics strictly interact. Despite the widespread use also at low Mach number, the turbulent mixing properties of slightly supercritical fluids have still not investigated in detail in this regime. This topic is addressed here by dealing with Direct Numerical Simulations (DNS) of a coaxial jet of a slightly supercritical Van der Waals fluid. Since acoustic effects are irrelevant in the Low Mach number conditions found in many industrial applications, the numerical model is based on a suitable low-Mach number expansion of the governing equation. According to experimental observations, the weakly supercritical regime is characterized by the formation of finger-like structures-- the so-called ligaments --in the shear layers separating the two streams. The mechanism of ligament formation at vanishing Mach number is extracted from the simulations and a detailed statistical characterization is provided. Ligaments always form whenever a high density contrast occurs, independently of real or perfect gas behaviors. The difference between real and perfect gas conditions is found in the ligament small-scale structure. More intense density gradients and thinner interfaces characterize the near critical fluid in comparison with the smoother behavior of the perfect gas. A phenomenological interpretation is here provided on the basis of the real gas thermodynamics properties.

physics.flu-dyn↗

arXiv2004

Anisotropic fluctuations in turbulent sheared flows

An experimental analysis of small-scales anisotropic turbulent fluctuations has been performed in two different flows. We analyzed anisotropic properties of an homogeneous shear flows and of a turbulent boundary layer by means of two cross-wire probes to obtain multi-point multi-component measurements. Data are analyzed at changing inter-probe separation without the use of Taylor hypothesis. The results are consistent with the ``exponent-only'' scenario for universality, i.e. all experimental data can be fit by fixing the same set of anisotropic scaling exponents at changing only prefactors, for different shear intensities and boundary conditions.

nlin.CD↗