Related papers: Effect of surface morphology on kinetic compensati…
The kinetic compensation effect (KCE), observed in many fields of science, is the systematic variation in the apparent magnitudes of the Arrhenius parameters $E_a$, the energy of activation, and $\nu$, the preexponential factor, as a…
Varying temperatures influence the figure errors of freeform metal mirrors by thermal expansion. Furthermore, different materials lead to thermo-elastic bending effects. The article presents a derivation of a compensation approach for…
Molecules adsorbing on metal surfaces form a variety of different surface polymorphs. How strongly this polymorphism affects interface properties is a priori unknown. In this work we investigate how strongly the surface polymorphism…
Kinetics of model catalytic processes proceeding on inhomogeneous surfaces is studied. We employ an extended mean-field model that takes into account surface inhomogeneities. The influence of surface diffusion of adsorbent on the kinetics…
The motion of a rigid, spinning disk on a flat surface ends with a dissipation-induced finite-time singularity. The problem of finding the dominant energy absorption mechanism during the last phase of the motion generated a lively debate…
We study the effects of generalised surface disorder on the monomer-monomer model of heterogeneous catalysis, where disorder is implemented by allowing different adsorption rates for each lattice site. By mapping the system in the…
The dynamic effects, such as the steering and the screening effects during deposition, on an epitaxial growth (Cu/Cu(001)), is studied by kinetic Monte Carlo simulation that incorporates molecular dynamic simulation to rigorously take the…
In detailed microcanonical analyses of densities of states obtained by extensive multicanonical Monte Carlo computer simulations, we investigate the caloric properties of conformational transitions adsorbing polymers experience near…
Experimental methods allow the shape and chemical composition of solid surfaces to be controlled at a mesoscopic level. Exposing such structured substrates to a gas close to coexistence with its liquid can produce quite distinct adsorption…
The effect that an additional energy barrier E_{kr} for step adatoms moving around kinks has on equilibrium step edge fluctuations is explored using scaling arguments and kinetic Monte Carlo simulations. When mass transport is through step…
Computational modeling of the structural behavior of continuous fiber composite materials often takes into account the periodicity of the underlying micro-structure. A well established method dealing with the structural behavior of periodic…
The adsorption of flexible and highly charged polyelectrolytes onto oppositely charged planar surfaces is investigated by means of Monte Carlo simulations. The effect of image forces stemming from the dielectric discontinuity at the…
The interest in the topological properties of materials brings into question the problem of topological phase transitions. As a control parameter is varied, one may drive a system through phases with different topological properties. What…
We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…
We have studied the adsorption kinetics of the protein amylase at solid/liquid interfaces. Offering substrates with tailored properties, we are able to separate the impact of short- and long-range interactions. By means of a colloidal Monte…
We derive and numerically solve a surface active nematodynamics model. We validate the numerical approach on a sphere and analyse the influence of hydrodynamics on the oscillatory motion of topological defects. For ellipsoidal surfaces the…
Tear film rupture on the corneal surface plays a critical role in ocular health and visual comfort. Conventional theoretical approaches often idealize the cornea as a perfectly smooth surface, ignoring the surface roughness that are…
Equilibrium adsorption of disk-like particles on patterned adhesive surfaces is studied using Monte Carlo simulations. The surface is represented as a two-dimensional plane with circular adhesive domains arranged either regularly or…
Chemical heterogeneity of solid surfaces disrupts the adsorption of surfactants from the bulk liquid. While its presence can hinder the performance of some formulations, bespoke chemical patterning could potentially facilitate controlled…
Problem solvers often need to choose between adapting a current solution and exchanging it for a new one. How do such decisions depend on structural and surface features of the task? The present study investigated the interplay between the…