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Geometrical structures of confining surfaces profoundly influence the adsorption of fluids upon approaching a critical point T_c in their bulk phase diagram, i.e., for t=(T-T_c)/T_c -> +/-0. Guided by general scaling considerations, we…
Yield stress materials flow if a sufficiently large shear stress is ap- plied. Although such materials are ubiquitous and relevant for indus- try, there is no accepted microscopic description of how they yield, even in the simplest…
It is shown that a bare simple fluid model (SFM) proposed some years ago for studying adsorption between two semi-infinite solid walls can be improved by modifying the surface term in the grand potential for the film phase. Such a…
For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel…
We report results of a theoretical study on an adsorbate induced surface reconstruction. Hydrogen adsorption on a W(100) surface causes a switching transition in the symmetry of the displacements of the W atoms within the ordered c(2x2)…
The surface tension of cold and dense QCD phase transitions has appeared recently as a key ingredient in different astrophysical scenarios, ranging from core-colapse supernovae explosions to compact star structure. If the surface tension is…
We examine the competition between adhesive and bending energies for few-layered graphene samples placed on rigid, microscale-corrugated substrates. Using atomic force microscopy, we show that the graphene undergoes a sharp "snap-through"…
The ice surface is known for presenting a very small kinetic friction coefficient, but the origin of this property remains highly controversial to date. In this work, we revisit recent computer simulations of ice sliding on atomically…
We use a sharp interface model for active cells to study the jamming transition point and behavior near it by varying cell concentration, active velocity and elasticity, including a binary mixture of soft and stiff cells. We determine the…
Strongly anchored free-standing smectic films usually present a stepwise reduction of the number of layers when the temperature is raised above the smectic-isotropic bulk transition temperature. Here, we demonstrate that a field-induced…
We carry out umbrella sampling Monte Carlo simulations to evaluate the free energy surface of the ST2 model of water as a function two order parameters, the density and a bond-orientational order parameter. We approximate the long-range…
We study the roughening transition of the dual of the 2D XY model, of the Discrete Gaussian model, of the Absolute Value Solid-On-Solid model and of the interface in an Ising model on a 3D simple cubic lattice. The investigation relies on a…
We propose a method of achieving large temperature sensitivity in the Casimir force that involves measuring the stable separation between dielectric objects immersed in fluid. We study the Casimir force between slabs and spheres using…
An intrinsic curvature model is investigated using the canonical Monte Carlo simulations on dynamically triangulated spherical surfaces of size upto N=4842 with two fixed-vertices separated by the distance 2L. We found a first-order…
Using the isothermal molecular dynamics (MD), coalescence/sintering of Au nanoparticles (NPs) was simulated by employing the Nose-Hoover thermostat. The MD simulation was realized by using the well-known open program LAMMPS, its version for…
We measure the electron conductivity of the surface states and the subsurface space charge layer originating from the Si(111)-4x1-In reconstruction as a function of temperature. The conductivity of the surface states drops sharply around…
In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice with substrates of different hydrophilicity. Our study shows…
We estimate the liquid-vapour surface tension from simulations of TIP4P/2005 water nanodroplets of size $N$=100 to 2880 molecules over a temperature $T$ range of 180 K to 300 K. We compute the planar surface tension $\gamma_p$, the…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
Nanoscale step structures have attracted recent interest owing to their importance in both fundamental and applied research, for example in adsorption, in catalysis, and in directing nanowire growth. Here, we used a template-stripping…