相关论文: Effect of surface morphology on kinetic compensati…
By means of numerical simulations, we explore possible effects of a special interparticle interaction potential which is a function of external and internal conditions of graphene-like systems. In addition to the electromagnetic…
A kinetic theory is proposed to elucidate complex nature of adsorption and desorption on surface and to calculate the adsorption and desorption rates in a practically simple way. This theory provides decomposition of the energy barriers and…
Adsorption of 4He on atomically flat substrates such as graphene provides a route towards the engineering of low dimensional quantum phases including superfluids and strongly interacting insulators. In this study, we explore the effects of…
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-adsorption of a layer of spherical species. The pre-adsorbed…
We compare the thermodynamic behavior of a finite single nongrafted polymer near an attractive substrate with that of a polymer grafted to that substrate. After we recently found first-order-like signatures in the microcanonical entropy at…
A detailed formulation for the effects of the surface integrity, i.e. surface topography, surface metallurgy, and surface mechanical properties, on the mechanics of ultra-thin films is proposed in the framework of linear elasticity. In this…
A field-theoretical description of the behavior of disordered, elastically isotropic, compressible systems characterized by two order parameters at the bicritical and tetracritical points is presented. The description is performed in the…
We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…
We propose a self-consistent model taking into account variations in adsorption properties of the adsorbent surface in the process of adsorption--desorption of molecules of gas on it. We introduce a dimensionless coupling parameter that…
Using an interface displacement model derived from a microscopic density functional theory we investigate thin liquidlike wetting layers adsorbed on flat substrates with an embedded chemical heterogeneity forming a stripe. For a wide range…
This study explores atomic and molecular adsorption on a number of early transition-metal carbides (TMC's) by means of density-functional theory calculations. Trend studies are conducted with respect to both period and group in the periodic…
Mean field analysis of the effective interfacial Hamiltonian shows that with increasing temperature the adsorption on a periodically corrugated substrate can proceed in two steps: first, there is the filling transition in which the…
Off-diagonal (transverse) effects in micro-patterned geometries are predicted and analyzed within the general frame of linear response theory, relating applied presure gradient and electric field to flow and electric current. These effects…
The kinetic magnetoelectric effect is an orbital analogue of the Edelstein effect and offers an additional degree of freedom to control magnetisation via the charge current. Here we theoretically propose a gigantic kinetic magnetoelectric…
The enhancement of mobility at the surface of an amorphous alloy is studied using a combination of molecular dynamic simulations and normal mode analysis of the non-uniform distribution of Debye-Waller factors. The increased mobility at the…
Low-energy structures of a hybrid system consisting of a polymer and an attractive nanowire substrate as well as the thermodynamics of the adsorption transition are studied by means of Monte Carlo computer simulations. Depending on…
We present a first-principles derivation of spatial atomic-sublevel decoherence near dielectric and metallic surfaces. The theory is based on the electromagnetic-field quantization in absorbing dielectric media. We derive an expression for…
The influence of the surface structure and vibration mode on the resistivity of Cu films and the corresponding size effect are investigated. The temperature dependent conductivities of the films with different surface morphologies are…
Previous experimental and numerical studies showed that two-dimensional roughness elements can stabilize disturbances inside a hypersonic boundary layer, and eventually delay the transition onset. The objective of this paper is to evaluate…
The dynamics of desorption from a submonolayer of adsorbed atoms or ions are significantly influenced by the absence or presence of lateral diffusion of the adsorbed particles. When diffusion is present, the adsorbate configuration is…