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Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…
Radiation driven transport mechanisms are ubiquitous in many natural flows and industrial processes. To mimic and to better understand these processes, recently, radiatively heated nanofluid filled enclosures have been extensively…
We discuss the state-of-the-art and remaining challenges in the fundamental understanding and technology development for controlling light-matter interactions in nanophotonic environments in and away from thermal equilibrium. The topics…
Self-driven nanofluidic flow at the liquid-air interface is a non-intuitive phenomenon. This flow behaviour was not driven by classical pressure difference or evaporation only. Depending on the position of the nanofluidic pore we can…
Despite its relevance in biology and engineering, the molecular mechanism driving cavitation in water remains unknown. Using computer simulations, we investigate the structure and dynamics of vapor bubbles emerging from metastable water at…
While growth and dissolution of surface nanobubbles has been widely studied in recent years, their stability under pressure changes or a temperature increase has not received the same level of scrutiny. Here, we present theoretical…
When a horizontal resistive wire is heated up to the boiling point in a subcooled liquid bath, some vapor bubbles nucleate on its surface. Traditional nucleate boiling theory predicts that bubbles generated from active nucleate sites, grow…
Partitioning and transport of water and small solutes into and through nanopores is important to a variety of chemical and biological processes and applications. Here we study the partitioning of positive ions of increasing size into the…
Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The…
Here we report on the translocation of folded polymers through nano-pores using molecular dynamic simulations. Two cases are studied; one in which a folded molecule unfolds upon passage and one in which the folding remains intact as the…
Polymers are widely used in industry and in our daily life because of their diverse functionality, light weight, low cost and excellent chemical stability. However, on some applications such as heat exchangers and electronic packaging, the…
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has been constructed to reproduce the average properties of a pore of Vycor glass. Due to the confinement and to the presence of a strong…
This is a turning point for nanofluidics. Recent progress allows envisioning both fundamental discoveries for the transport of fluids at the ultimate scales, and disruptive technologies for the water-energy nexus.
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…
Self-propelled nanoparticles moving through liquids offer the possibility of creating advanced applications where such nanoswimmers can operate as artificial molecular-sized motors. Achieving control over the motion of nanoswimmers is a…
Hydrodynamics is known to have strong effects on the kinetics of phase separation. There exist open questions on how such effects manifest in systems under confinement. Here, we have undertaken extensive studies of the kinetics of phase…
Understanding the stability of foam films and foams remains a challenge, despite the considerable efforts provided by the scientific community to refine their physical descriptions. This persistent difficulty underscores the interplay of…
We present a study of self-driven flow dynamics at the liquid-gas interface within nanofluidic pores, devoid of any external driving forces. The investigation centres on the Rayleigh-Taylor instability phenomena occurring in sub-100…
The nonlinear mechanical response of carbon nanotubes, referred to as their "buckling" behavior, is a major topic in the nanotube research community. Buckling means a deformation process in which a large strain beyond a threshold causes an…
Electroosmosis is a fascinating effect where liquid motion is induced by an applied electric field. Counter ions accumulate in the vicinity of charged surfaces, triggering a coupling between liquid mass transport and external electric…