Related papers: A Monte Carlo simulation study on the wetting beha…
The ability to pattern graphene at low temperatures in a scalable manner is one of the greatest challenges facing graphene industrial adoption today. We demonstrate a simple method for low-temperature gold-catalyzed etching of graphite with…
We present a numerical investigation of the thermal and structural properties of the $^3$He-He II sandwich system adsorbed on a graphite substrate using the Worm Algorithm Quantum Monte Carlo (WAQMC) method (Boninsegni et al., Phys. Rev. E…
The results of Monte Carlo simulation of adsorption and wetting behaviour of a highly non-additive symmetric mixture at selective walls is discussed. We have concentrated on the interplay between the surface induced demixing in the adsorbed…
A solid substrate, when exposed to a vapour, can interact with it in such a way that sufficiently close to liquid-vapour coexistence a macroscopically thick liquid wetting layer is formed on the substrate surface. If such a wetting…
In this paper we present a simple, yet typical simulation in statistical physics, consisting of large scale Monte Carlo simulations followed by an involved statistical analysis of the results. The purpose is to provide an example…
We present a lattice-gas (generalised Ising) model for liquid droplets on solid surfaces. The time evolution in the model involves two processes: (i) Single-particle moves which are determined by a kinetic Monte Carlo algorithm. These…
We have used molecular dynamics simulations to study the effect of water on the wetting behavior and the interfacial structure of ionic liquid (IL) 1-ethyl-3-methylimidazolium boron tetrafluoride[EMIM][BF4] droplets on graphite surfaces…
Hydrogen bond patterns, proton ordering, and phase transitions of monolayer ice in two-dimensional hydrophobic confinement are fundamentally different from those found for bulk ice. To investigate the behavior of quasi-2D ice, we perform…
New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…
We have used the Path Integral Monte Carlo method to simulate a monolayer of molecular hydrogen on graphite above 1/3 submonolayer coverage. We find that at low temperature and as the coverage increases the system undergoes a series of…
This paper presents a theoretical and experimental investigation of photon diffusion in highly absorbing microscale graphite. An Nd:YAG continuous wave (CW) laser is used to heat the graphite samples with thicknesses of 40 microns and 100…
Computer simulations of structure formation in network forming materials (such as amorphous semiconductors, glasses, or fluids containing hydrogen bonds) are challenging. The problem is that large structural changes in the network topology…
Although realizing wetting transitions of droplets spontaneously on solid rough surfaces is quite challenging, it is becoming a key research topic in many practical applications which require highly efficient removal of liquid. We report…
The high temperature behaviour of graphene is studied by atomistic simulations based on an accurate interatomic potential for carbon. We find that clustering of Stone-Wales defects and formation of octagons are the first steps in the…
Based on density functional calculations, we demonstrate a significant difference in oxidation patterns between graphene and graphite and the formation of defects after oxidation. Step-by-step modeling demonstrates that oxidation of 80% of…
Graphene is a promising candidate for future electronic applications. Manufacturing graphene-based electronic devices typically requires graphene transfer from its growth substrate to another desired substrate. This key step for device…
Dewetting of liquid films on solid surfaces in the presence of evaporation is a common phenomenon and has been studied by many researchers. The previous numerical approach has revealed that evaporation accelerates the dewetting speed of the…
Proximal gamma-ray spectroscopy recently emerged as a promising technique for non-stop monitoring of soil water content with possible applications in the field of precision farming. The potentialities of the method are investigated by means…
Density functional theory (DFT) is widely used in surface science, but gives poor accuracy for oxide surface processes, while high-level quantum chemistry methods are hard to apply without losing basis-set quality. We argue that quantum…
In the last 43 years several hints were reported suggesting the existence of granular superconductivity above room temperature in different graphite-based systems. In this paper some of the results are reviewed, giving special attention to…