Related papers: Nucleation in Confinement Generates Long-range Rep…
We study NaCl ion-pair dissociation in a dilute aqueous solution using computer simulations both for the full system with long range Coulomb interactions and for a well chosen reference system with short range intermolecular interactions.…
The behavior of colloidal particles with a hard core and a soft shell has attracted the attention for researchers in the physical-chemistry interface not only due the large number of applications, but due the unique properties of these…
We study the effect of spatial confinement on the strength of propulsive diffusiophoretic forces acting on a particle that generates density gradients by exploiting the chemical free energy of its environment. Using a recently proposed…
We present a molecular dynamics study of the effects of confinement on the lubrication and flow properties of ionic liquids. We use a coarse-grained salt model description of ionic liquid as a lubricant confined between finite solid plates…
Structure and superfluid response of nanoscale size helium-four clusters enclosed in spherical cavities are studied by computer simulations. The curved surface causes the formation of well-defined concentric shells, thus imparting to the…
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscillations in the electronic charge density at the free surface…
We report on the modeling of the formation of a cavity at the surface of crystals confined by a flat wall during growth in solution. Using a continuum thin film model, we discuss two phenomena that could be observed when decreasing the…
Nanocrystal gelation provides a powerful framework to translate nanoscale properties into bulk materials and to engineer emergent properties through the assembled microstructure. However, many established gelation strategies rely on…
Cracking and peeling of a layer of clay on desiccation has been simulated using a spring model. A vertical section through the layer with finite thickness is represented by a rectangular array of nodes connected by linear springs on a…
Performing molecular dynamics simulations, we investigate the enormous slowdowns of water dynamics when approaching a glass transition or a solid interface. We show that both effects can be described on common grounds within a theoretical…
Hypothesis Roughening transitions at solid-liquid interfaces govern crystal morphology in diverse systems. In ice crystallization, these transitions control interfacial faceting and surface kinetics. Faceted morphologies are often…
Sedimentary rocks often form the upper layers or the entire target rocks in impact events. Thermodynamic properties of sedimentary rocks related to porosity and water saturation affect the process of impact crater formation. The…
Solid friction between two rough surfaces is often observed to increase logarithmically over time due to contact creeping. An intriguing question is whether a similar aging effect occurs in contact line (CL) friction over rough substrates.…
In order to detect the effect of the surface charge discreteness on the properties at the solid-liquid interface, molecular dynamics simulation model taking consideration of the vibration of wall atoms was used to investigate the ion and…
A remarkable variety of organisms and wet materials are able to endure temperatures far below the freezing point of bulk water. Cryo-tolerance in biology is usually attributed to "anti-freeze" proteins, and yet massive supercooling ($<…
We present a computer simulation study on the crystal nucleation process in suspensions of hard spheres, fully taking into account the solvent hydrodynamics. If the dynamics of collodial crystallization were purely diffusive, the crystal…
The viscosity of liquids under nanoconfinement remains controversial. Reports range from spontaneous solidification to no change in the viscosity at all. Here, we present thorough measurements with a small-amplitude linear atomic force…
Alkali halide (100) crystal surfaces are poorly wetted by their own melt at the triple point. We carried out simulations for NaCl(100) within the well tested BMHFT model potential. Calculations of the solid-vapor, solid-liquid and…
We study the interaction of a dark exciton Bose-Einstein condensate with the nuclei in GaAs/AlGaAs coupled quantum wells and find clear evidence for nuclear polarization buildup that accompanies the appearance of the condensate. We show…
We perform drainage experiments of a linear alkane fluid (n-hexadecane) down to molecular thicknesses, and focus on the role played by the confinement rate. We show that molecular layering is strongly influenced by the velocity at which the…