Cell Dynamics Simulation of Droplet and Bridge Formation within Striped Nanocapillaries

Iwamatsu, Masao

doi:10.1021/la7013754

Cited by 3 publications

(3 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It follows that capillary bridges expanding between homogeneous and heterogeneous surfaces fundamentally behave differently. Indeed, the behavior of nanoscale capillary bridges expanding between patchy surfaces (with commensurate nanoscale dimensions) remains practically unexplored (e.g., see refs − ). It remains unclear what kind of interactions capillary bridges can induce between patchy surfaces, or how the geometrical and thermodynamic properties of such capillary bridges may vary with the separation between the walls.…”

Section: Introductionmentioning

confidence: 99%

Energy Stored in Nanoscale Water Capillary Bridges between Patchy Surfaces

Tang

Buldyrev

et al. 2020

Langmuir

View full text Add to dashboard Cite

We perform molecular dynamics (MD) simulations of a water capillary bridge (WCB) expanding between two identical chemically heterogeneous surfaces. The model surfaces, based on the structure of silica, are hydrophobic and are decorated by a hydrophilic (hydroxylated silica) patch that is in contact with the WCB. Our MD simulations results, including the WCB profile and forces induced on the walls, are in agreement with capillarity theory even at the smallest wall separations studied, h = 2.5−3 nm. Remarkably, the energy stored in the WCB can be relatively large, with an energy density that is comparable to that harvested by water-responsive materials used in actuators and nanogenerators.

show abstract

Section: Introductionmentioning

confidence: 99%

Energy Stored in Nanoscale Water Capillary Bridges between Patchy Surfaces

Tang

Buldyrev

et al. 2020

Langmuir

View full text Add to dashboard Cite

show abstract

“…The properties of nanoscale WCB confined by chemically heterogeneous surfaces are challenging to predict theoretically. [17][18][19] Understanding how the surface patch geometry affects the properties of capillary bridges can help engineers to design heterogeneous surfaces to improve chip selfalignment during pickup for the fabrication of chip arrays, [20] and micro-transfer process in printing process. [21,22] In a recent molecular dynamics simulations study, we [13] showed that the properties of a translationally-symmetric (TS) nanoscale WCB formed between two flat surfaces with a stripe-like hydrophilic patch can be described remarkably well by capillary theory.…”

Section: Introductionmentioning

confidence: 99%

Energy stored in nanoscale water capillary bridges formed between chemically heterogeneous surfaces with circular patches*

Tang¹,

Yu²,

Buldyrev³

et al. 2020

Chinese Phys. B

View full text Add to dashboard Cite

The formation of nanoscale water capillary bridges (WCBs) between chemically heterogeneous (patchy) surfaces plays an important role in different scientific and engineering applications, including nanolithography, colloidal aggregation, and bioinspired adhesion. However, the properties of WCB of nanoscale dimensions remain unclear. Using molecular dynamics simulations, we investigate the geometrical and thermodynamic properties of WCB confined between chemically heterogeneous surfaces composed of circular hydrophilic patches on a hydrophobic background. We find that macroscopic capillary theory provides a good description of the WCB geometry and forces induced by the WCB on the confining surfaces even in the case of surface patches with diameters of only 4 nm. Upon stretching, the WCB contact angle changes from hydrophobic-like values (θ > 90°) to hydrophilic-like values (θ < 90°) until it finally breaks down into two droplets at wall separations of ∼ 9–10 nm. We also show that the studied nanoscale WCB can be used to store relevant amounts of energy E P and explore how the walls patch geometry can be improved in order to maximize E P. Our findings show that nanoscale WCB can, in principle, be exploited for the design of clean energy storage devices as well as actuators that respond to changes in relative humidity. The present results can also be of crucial importance for the understanding of water transport in nanoporous media and nanoscale engineering systems.

show abstract

“…Various numerical methods such as the Monte Carlo 33 , the molecular dynamics 34 and the lattice Boltzmann method 35 have been developed to study the dynamic of cavity or bubble formation and the evaporation. Recently, we have developed a numerical method based on the time dependent Ginzburg-Landau model combined with the cell dynamics method to study the dynamics of nucleation in various situations 36,37 . It will be interesting to use this cell dynamics method to study the dynamics of cavity or bubble formation.…”

Section: Discussionmentioning

confidence: 99%

Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy

Iwamatsu

2009

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

The generic square-gradient density-functional model with triple-parabolic free energy is used to study the stability of a cavity introduced into the stretched liquid. The various properties of the critical cavity, which is the largest stable cavity within the liquid, are compared with those of the critical bubble of the homogeneous bubble nucleation. It is found that the size of the critical cavity is always smaller than that of the critical bubble, while the work of formation of the former is always higher than the latter in accordance with the conjectures made by Punnathanam and Corti [J. Chem. Phys. 119, 10224 (2003)] deduced from the Lennard-Jones fluids. Therefore their conjectures about the critical cavity size and the work of formation would be more general and valid even for other types of liquid such as metallic liquid or amorphous. However, the scaling relations they found for the critical cavity in the Lennard-Jones fluid are marginally satisfied only near the spinodal.

show abstract

Cell Dynamics Simulation of Droplet and Bridge Formation within Striped Nanocapillaries

Cited by 3 publications

References 37 publications

Energy Stored in Nanoscale Water Capillary Bridges between Patchy Surfaces

Energy Stored in Nanoscale Water Capillary Bridges between Patchy Surfaces

Energy stored in nanoscale water capillary bridges formed between chemically heterogeneous surfaces with circular patches*

Critical cavity in the stretched fluid studied using square-gradient density-functional model with triple-parabolic free energy

Contact Info

Product

Resources

About