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The present study investigates impact of nanodroplets on liquid films with varied film thicknesses over hydrophilic to hydrophobic surfaces via molecular dynamics simulations. A new crown pattern, hollow crown, is observed on medium liquid films for nanodroplets, whereas it is not reported for millimeter-sized droplets. Holes (or hollows) are attributed to capillary vibration of a nanometer-thick liquid film. The occurrence of holes is inhibited effectively for deep liquid films because the cavity thickness is much larger than the amplitude of capillary vibration. Surface wettability has a significant influence on thin and medium liquid films for nanodroplets, whereas it only affects thin liquid films for macrodroplets because the range of solid–liquid intermolecular forces is comparable to the size of droplets when the size of droplets reduces to the nanoscale. Subsequently, the accuracies of the existing macroscale models for predicting the time-dependent crown radius of nanodroplets are tested by simulated results. The results show that the macroscale models cannot capture the time-dependent crown radius of nanodroplets. On the basis of energetics analysis, we prove that the failure of macroscale models is attributed to the distinct difference in viscous dissipation mechanisms between macroscale and nanoscale droplets. [ABSTRACT FROM AUTHOR]

Rising nanoscale technologies arouse interest in investigating the impact dynamics of nanodroplets. In this work, the impact of nanodroplets on solid spheres is investigated by the molecular dynamics simulation method, to comprehensively report outcome regimes and reveal the curvature effect, in wide ranges of Weber numbers (We) from 1.5 to 235.8, diameter ratios (λ) of nanodroplets to solid spheres from 0.3 to 5, and contact angles (θ) from 105° to 135°. Five outcomes are identified, including deposition, bouncing, splash, covering, and dripping. The former three outcomes are found in the high diameter ratio range (λ > 1), showing similar dynamic behaviors with impacts on flat surfaces, whereas in the low diameter ratio range (λ ≤)1, splash disappears, and covering and dripping take place additionally. At each contact angle, the outcomes are recorded in λ-We phase diagrams. It is found that the bouncing, splash, covering, and dripping are all promoted by decreasing diameter ratios; in addition, the critical Weber numbers for trigging bouncing and splash increase with decreasing θ. However, the critical We of the boundary between the bouncing to other regimes in the low diameter ratio range is not sensitive to wettability owing to the relatively small diameter of solid spheres. For quantitatively describing the curvature effect, the boundaries between the deposition and bouncing regimes in the high diameter ratio range and between the bouncing and other regimes in the low diameter ratio range are established. Both the established models show satisfactory agreement with the boundaries in the phase diagrams. [ABSTRACT FROM AUTHOR]

Nanodroplet impacts have attracted significant attention, while the effect of surface wettability on contact time is evaluated poorly. Utilizing molecular dynamics simulations, the current work with a special focus on the contact time studies nanodroplets impacting solid surfaces in a wide range of static contact angles (θ0 = 105°–175°) and the Weber number (We = 0.1–200). The complete trends in contact time and restitution coefficient with surface wettability are analyzed and reported for the first time. For surfaces with θ0 > 160°, four different regimes are identified for the contact time and restitution coefficient as a function of the Weber number. For surfaces with 110° < θ0 < 160°, the fourth regime is not observed. The restitution coefficient is employed to analyze the contact time of distinct rebound patterns in the individual wettability range. Intriguingly, surface wettability has a remarkable influence on the contact time of nanodroplets even for superhydrophobic surfaces. The main reason for the difference between the macroscale and nanoscale is attributed to the significantly enhanced viscous effect and interfacial effect of the nanoscale impact. Considering the different effects of surface wettability on spreading and retraction dynamics, the theoretical models for the maximum spreading factor, spreading velocity, and retraction velocity are established. Finally, scaling laws of the spreading time τspr ∼ (R0/Vi)We2/3Re−1/3 and retraction time τret ∼ (R0/Vi)We2/3Re−1/3(1 − cos θ0)−1/2 are proposed. An excellent agreement with both the current data sources and the results in the literature verifies the universality of the current scaling law from hydrophobic to superhydrophobic surfaces. [ABSTRACT FROM AUTHOR]

Efficient droplet shedding from surfaces is fundamentally interesting and important due to its promising potential in numerous applications, such as anti-erosion, anti-icing, and self-cleaning. In this work, the bouncing dynamics of the head-on impact of two nanodroplets on superhydrophobic surfaces are investigated through molecular dynamics simulations. Three bouncing patterns, including regular-coalescence-bouncing, coalescence-hole-bouncing, and ring-bouncing, are identified at a wide range of impacting Weber numbers. For three bouncing patterns, the time evolutions of the spreading factors and the vertical velocity components are employed to analyze the particular dynamic behaviors and elucidate the underlying physics. As a counter-intuitive bouncing pattern, the ring-bouncing that two impact nanodroplets coalesce, spread, and then leave the surface in a ring shape without retracting exhibits a remarkable reduction in contact time by up to 60%. Considering four typical states for the ring-bouncing pattern, the comparison of the velocity distribution within the droplet clearly reveals that the ring-shaped droplet reshapes interfaces, which leads to a special hydrodynamics distribution. As a result, the internal flows at the inner and outer edges along the opposite direction collide with each other, leading to a sudden increase in the upward velocity. Combining the largely decreased contact area between solid and liquid with the small surface adhesion, the ring-shaped droplet rapidly bounces off the surface at the maximum spreading state. Finally, it is significantly highlighted that the ring-bouncing pattern offers a new avenue to break the contact time limit for efficient droplet shedding. [ABSTRACT FROM AUTHOR]

This work investigates the retraction and bouncing dynamics of an impacting low-viscosity nanodroplet on superhydrophobic surfaces via molecular dynamics simulations, aiming to reveal the scaling laws of retraction and bouncing velocities and to establish the relationship between them. The retraction velocity, Vre, is found to scale as Vre ∼ Dmax/τc,n, where Dmax is the maximum spreading diameter, τc,n = (D0/V0)We1/2Oh1/3 is the inertial-capillary-viscous time, and We and Oh are the Weber number and Ohnesorge number, respectively. The bouncing stems from the collision of the retracting rim at the center of the nanodroplet, leading to the bouncing velocity scaling as the retraction velocity. Combining the relationship of Vre ∼ Dmax/τc,n with the scaling law of Dmax ∼ We1/2Oh1/3D0 yields both the retraction and bouncing velocities scaling as the impact velocity, indicating that both the retraction and bouncing velocities of low-viscosity nanodroplets on a superhydrophobic surface depend merely on the impact velocity. An energy analysis shows that the proportion of the surface energy at the maximum spreading state (Es,max) to the initial kinetic energy (Ek,ini) follows Es,max/Ek,ini ∼ Oh2/3, whereas the proportion of the bouncing kinetic energy (Ek,b) to the surface energy at the maximum spreading state follows Ek,b/Es,max ∼ Oh−2/3, leading to constant Ek,b/Ek,ini and also constant restitution coefficient for low-viscosity nanodroplets impacting superhydrophobic surfaces. [ABSTRACT FROM AUTHOR]

The impact dynamics of water nanodroplets on flat solid surfaces was studied by molecular dynamics simulations over a wide range of Weber numbers (We) and surface wettability (θ0), where θ0 is the Young contact angle. A phase diagram in the parameter space of We vs θ0 was established accommodating eight impact outcomes noted in the final stage of impact, with three of them, holes rebound, partial-rebound splash, and rebound splash, for the first time being identified and reported. The eight impact outcomes were classified into three categories, i.e., non-bouncing, bouncing, and splash. The results show that the splash is triggered only when Wecr > 140. The boundaries separating bouncing from non-bouncing were determined based on the phase diagram. When θ0 > 160°, the boundary is described as Wecr = a ≪ 1; when 110° < θ0 < 160°, the boundary depends on both We and θ0, with a larger We required to trigger bouncing on a less hydrophobic surface, expressed as Wecr = b + ccosθ0; when θ0 < 110°, bouncing never takes place, and hence, the boundary is determined only by the critical contact angle, expressed as θ0,cr = 110°. Here, a, b, and c are constants. [ABSTRACT FROM AUTHOR]

[Display omitted] • The influence of the surface structure features on the bouncing dynamics is revealed. • The phase diagrams of the bouncing patterns are constructed. • Theoretical models are developed to unravel the mechanisms of pancake bouncing of impacting nanodroplets on nanopillared surfaces. • The critical Weber number for triggering the pancake bouncing is proposed. Superhydrophobic surfaces that promote rapid droplet detachment in a pattern of pancake bouncing are fundamentally interesting and important in substantial applications, such as self-cleaning, anti-corrosion, and anti-icing. However, the accurate modeling of the trigger conditions and the underlying dynamic mechanism for the pancake bouncing have yet to be completed. Here, using molecular dynamics simulations, the bouncing dynamics of impacting water nanodroplets on superhydrophobic Pt surfaces with nanopillar arrays are comprehensively studied considering a wide range in the impact Weber number, solid fraction (the pillar width w is kept constant), and pillar height. Correspondingly, the phase diagrams of the bouncing patterns are constructed in the parameter space of the Weber number against the solid fraction. It has been found that there are critical values of the solid fraction and pillar height to induce the pancake bouncing at the moderate Weber number. Furthermore, a theoretical model is developed and quantitatively proclaims the dependence of nanostructure features and the critical Weber number on the pancake bouncing. This work provides rational design principles for attaining a controllable pancake bouncing on structured superhydrophobic surfaces for a wide range of applications. [ABSTRACT FROM AUTHOR]

• Retraction of nanodroplets on hydrophilic to hydrophobic surfaces is studied. • Inertial and capillary regimes are distinguished. • Models of retraction velocities in the two regimes are developed. Because of scale effects, the impact of nanodroplets shows different spreading and retraction dynamics from millimeter-sized droplets, which remains poorly understood. This work investigates the retraction dynamics of low-viscosity water nanodroplets on hydrophobic to hydrophilic surfaces via molecular dynamics (MD) simulations. Two retraction regimes, inertial and capillary regimes, are defined based on whether an obvious rim can be observed in retraction processes. The two retraction regimes successively take place on hydrophobic surfaces, whereas only the capillary regime is observed on hydrophilic surfaces. In the inertial regime, the inertial force in the rim and the viscous forces near the rim entrance and the central film both dominate the retraction. The former makes the retraction velocity scale as We −1/2, whereas the latter causes the scaling of Oh −1/3. Moreover, the spreading factor in the inertial regime decreases from its maximum value to equilibrium value in the same interval of time. Based on these dynamics, an expression for retraction velocity in the inertial regime is proposed. In the capillary regime, the retraction slows down because inertial force weakens significantly. The retraction velocity depends only on the impact velocity and surface wettability. The proposed two expressions of retraction velocities are validated by MD simulations for the impact of nanodroplets on hydrophobic to hydrophilic surfaces at various impact velocities, showing good agreement between them. Furthermore, using the present retraction dynamics, a model of contact time for nanodroplets impacting hydrophobic surfaces is also developed. [ABSTRACT FROM AUTHOR]

• Dynamic electrocoalescence of charged droplets with deflected angles is studied. • Effects of field strengths, deflected angles, and ions on electrocoalescence dynamics are focused. • The critical electric field influences the electrocoalescence dynamics. • The dissolved ions are responsible for the appearance of secondary droplets. The electrocoalescence dynamics of two charged droplets with different deflected angles are studied via molecular dynamics simulations. The simulated results show that under a weak electric field, these adjacent droplets can realize the complete coalescence at the deflected angles of 0° and 50°, but cannot realize that at the deflected angle of 90°. As the electric field strength increases to a critical value, owing to escaped ions, a secondary droplet is ejected from coalescing droplet, namely the partial coalescence. However, as the field strength far exceeds the critical field strength, charge transfer appears between these adjacent droplets by the liquid bridge. These two droplets with enough opposite charges move towards the opposite directions, respectively, such that the formed liquid bridge breaks at the interface again, leading to the appearance of non-coalescence. As a result, the complete-to-non coalescence transition is triggered by the strong electric field. [ABSTRACT FROM AUTHOR]

• Electrowetting transition on pillar-arrayed surfaces is studied. • MD simulations provide accurate wetting pathway. • Energy-minimization method is used to calculate the energy pathway. • Multiple energy barriers are found for the wetting transition. • Spontaneous dewetting transition occurs for a globally stable Cassie droplet. Two extreme wetting states, a highly non-wetting Cassie state and a wetting Wenzel state, can coexist or even mutually convert on patterned surfaces. Such a conversion process may be spontaneous or induced by external stimuli. This work studies the wetting transition of a nanodroplet on pillar-arrayed surfaces induced by an external electric field via an energy-minimization method in conjunction with molecular dynamics (MD) simulations. The simulation results reveal that driven by the electric field, the initial Cassie state could go through a partial wetting state, and eventually converts to the Wenzel state. The free-energy landscape reveals that there are multiple local energy minima, corresponding to multiple metastable states. For the metastable Cassie state, the wetting transition is irreversible, i.e., the droplet would remain in the Wenzel state when the electric field is removed. Conversely, the spontaneous dewetting transition from the Wenzel to the Cassie state can occur, if only the Cassie droplet is in a global energy minimum configuration. Thus, the stable Cassie wetting configuration is essential for triggering the spontaneous dewetting transition. [ABSTRACT FROM AUTHOR]

Impact behaviors of a water nanodroplet on a hydrophobic surface in the presence of an external perpendicular electric field are investigated via classical molecular dynamics (MD) simulations. The results show that the maximum spreading factor, β max , is enhanced by the electric field, especially at field strengths larger than 0.1 V Å-1, whereas it is independent of the field direction when the field strength remains constant. Because the electric field alters the surface tension of the liquid, a factor Φ, which takes into account the effects of dielectric constant and conductivity of the droplet and continuous phase, initial droplet shape, and field strength, is proposed to modify the surface tension. An analytical model is developed to predict the maximum spreading factor for impacting nanodroplets subjected to a perpendicular electric field. The model shows good agreement with MD simulations in a low Reynolds number range. [Display omitted] • Spreading dynamics of impacting nanodroplets are studied under electric fields. • Electric fields enhance spreading and increase the maximum spreading factor. • A factor is proposed to modify the effect of surface tension. • A model of the maximum spreading factor under electric fields is developed. [ABSTRACT FROM AUTHOR]