Related papers: Water nanoelectrolysis: A simple model
Dielectrophoresis (DEP), the motion of polarizable particles in non-uniform electric fields, has become an important tool for the transport, separation, and characterization of microparticles in biomedical and nanoelectronics research. In…
Can we avoid molecular dynamics simulations to estimate the electrostatic interaction between charged objects separated by a nanometric distance in water? To answer this question, we develop a continuous model for the dielectric properties…
Nanobubble-related technologies have been confirmed to be useful in various fields such as climate change and the environment as well as water-based industries such as water purification, crops, horticulture, medical care, bio, and…
Understanding the phase behaviors of nanoconfined water has driven notable research interests recently. In this work, we examine the structures and thermodynamics of water encapsulated under a graphene cover. We find layered water…
We describe the thermodynamic state of a highly confined single-phase and single-component fluid in a slit pore using Hill's thermodynamics of small systems. This theory was more recently named nanothermodynamics. We start by constructing…
Water is routinely exposed to external electric fields (EFs). Whether, e.g., at physiological conditions, in contact with biological systems, or at the interface of polar surfaces in countless technological and industrial settings, water…
This paper deals with the condensation of liquid droplets on hydrophobic and hydrophilic surfaces. A stochastic mesoscale model based on the theory of fluctuating hydrodynamics and the thermodynamics of a diffuse interface approach shows…
The dielectric breakdown approach for forming nanopores has greatly accelerated the pace of research in solid-state nanopore sensing, enabling inexpensive formation of nanopores via a bench top setup. Here we demonstrate the potential of…
Structural changes induced by chemical reactions critically determine the catalytic performance and mechanism. However, precise tracking of the three-dimensional (3D) atomic structural evolution of individual bimetallic nanocatalysts…
Water evaporation is critically important for hydrogels in open-air applications, but theoretically modeling is difficult due to the complicated intermolecular interactions and sustained deformation. In this work, we construct a simplified…
Specifically, we examine concentrations from [NaCl]=1m to [NaCl]=6m, where 6.1m represents the solubility threshold of NaCl in H2O. For the water model, we employ the flexible TIP4P/$\epsilon_{Flex}$ model, which offers an enhanced…
Nanobubbles formed in monolayers of transition metal dichalcogenides (TMDCs) on top of a substrate feature localized potentials, in which electrons can be captured. We show that the captured electronic density can exhibit a non-trivial…
Aggregation and settling are crucial phenomena that involve particulate systems. For particle sizes of millimetre and above, there are reasonable accurate predicting tools. However for smaller particle sizes, there appears to be a void in…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on nanotube topology,…
Using a variational field theory, we show that an electrolyte confined to a neutral cylindrical nanopore traversing a low dielectric membrane exhibits a first-order ionic liquid-vapor pseudo-phase-transition from an ionic-penetration…
Nanopores (NPs) grown by anodizing can be partially hidden beneath a relatively compact surface oxide layer, which limits the volumetric surface area of these nanostructures. In this work, nitinol (NiTi) alloy was anodized in an electrolyte…
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confined inside rigid and flexible nanopores. The fluid is modeled by a two length scale potential. In the bulk this system exhibits the density…
Spatially resolved electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) has been used to investigate as fluidic phase in nanoubbles embedded in a metallic Pd90Pt10 matrix. Using the 1s->2p…
Joule heat generated by resistive elements of cryogenic micro- and nanodevices often originates boiling of the cooling cryogenic liquids (helium, nitrogen). The article proposes an experimental method to explore the dynamics of the…
We present a recently developed one-dimensional dipole lattice model that accurately captures the key properties of water in narrow nanopores. For this model, we derive three equivalent representations of the Hamiltonian that together yield…