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The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
Cells and other soft particles are often forced to flow in confined geometries in both laboratory and natural environments, where the elastic deformation induces an additional drag and pressure drop across the particle. In contrast with…
Understanding the limitations imposed by noise on current and next-generation quantum devices is a crucial step towards demonstrating practical quantum advantage. In this work, we investigate the accumulation of entropy density as a…
This paper is mainly concerned with the free boundary problem for an approximate model (for example, arising from the study of sonoluminescence) of a gas bubble of finite mass enclosed within a bounded incompressible viscous liquid,…
This paper theoretically analyzes the hydrodynamic shape stability problem for sonoluminescing bubbles. We present a semianalytical approach to describe the evolution of shape perturbations in the strongly nonlinear regime of violent…
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
The microscopic mechanisms involved in the formation/dissociation of methane hydrate confined at the nanometer scale are unraveled using advanced molecular modeling techniques combined with a mesoscale thermodynamic approach. By means of…
Microbial electrolysis cells (MECs) are a promising new technology for producing hydrogen cheaply, efficiently, and sustainably. However, to scale up this technology, we need a better understanding of the processes in the devices. In this…
Plasmonic vapour nanobubbles are currently considered for a wide variety of applications ranging from solar energy harvesting and photoacoustic imaging to nanoparticle-assisted cancer therapy. Yet, due their small size and unstable nature,…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
Using molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion and structural anomalous behavior and compared with the bulk results. Within the range…
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…
The Turbidity current (TC), a ubiquitous fluid-particle coupled phenomenon in the natural environment and engineering, can transport over long distances on an inclined terrain due to the suspension mechanism. A large-eddy simulation and…
Understanding the shell rheology of ultrasound contrast agent microbubbles is vital for anticipating their bioeffects in clinical practice. Past studies using sophisticated acoustic and optical techniques have made enormous progress in this…
Possible mechanisms of overlimiting current in unsupported electrolytes, exceeding diffusion limitation, have been intensely studied for their fundamental significance and applications to desalination, separations, sensing, and energy…
Understanding the dynamics of the micro-sized surface bubbles produced by plasmonic heating can benefit a wide range of applications like microfluidics, catalysis, micro-patterning and photo-thermal energy conversion. Usually, surface…
The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results…