Related papers: Evolutionary approach for finding the atomic struc…
Structural phase transitions are governed by the underlying atomic transformation mechanism; martensitic transformations can be separated into strain and shuffle components. A systematic pathway generation and sorting algorithm is presented…
The stability of interfaces and the mechanisms of thin film growth on semiconductors are issues of central importance in electronic devices. These issues can only be understood through detailed study of the relevant microscopic processes.…
We will look for stable structures in four situations and discuss what is known and unknown.
The structural parameters of alpha helix and some forms of DNA-structures are determined by methods of algebraic topology. These structures are locally periodic and correspond to the bifurcation point for minimal surfaces given by…
Crystal structure prediction (CSP), which aims to predict the three-dimensional atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding. However, given the composition in a unit…
Below the roughening transition, crystal surfaces exhibit nanoscale line defects, steps, that move by exchanging atoms with their environment. In homoepitaxy, we analytically show how the motion of a step train in vacuum under strong…
Step patterns on vicinal $(2\times1)$ reconstructed surfaces of noble metals Au(110) and Pt(110), miscut towards the (100) orientation, are investigated. The free energy of the reconstructed surface with a network of crossing opposite steps…
The article discusses a method for automating the process of cutting a honeycomb block, and specifically obtaining points and cutting angles for the required faces. The following requirements are taken into account in the calculations: the…
The formation of atomic wires via pseudomorphic step-edge decoration on vicinal silicon surfaces has been analyzed for Ga on the Si(112) surface using Scanning Tunneling Microscopy and Density Functional Theory calculations. Based on a…
The classical walking behaviors of a single atom in an amplitude-modulated standing wave lattice beyond the internal dynamics are investigated. Based on a simple effective model, we identify a diversity of dynamic regimes of atomic motion…
Topological defects are an essential part of the structure and dynamics of all liquid crystals, and they are particularly important in experiments and simulations on active liquid crystals. In a recent paper, Vromans and Giomi [Soft Matter,…
We propose an experimental scheme to construct an optical lattice where the atoms are confined to the surface of a torus. This construction can be realized with spatially shaped laser beams which could be realized with recently developed…
In this note we show how to find the stable model of a one-parameter family of elliptic surfaces with sections. More specifically, we perform the log Minimal Model Program in an explicit manner by means of toric geometry, in each such one…
The probability distribution p(l) of an atom to return to a step at distance l from the detachment site, with a random walk in between, is exactly enumerated. In particular, we study the dependence of p(l) on step roughness, presence of…
Droplets move on substrates with a spatio-temporal wettability pattern as generated, for example, on light-switchable surfaces. To study such cases, we implement the boundary-element method to solve the governing Stokes equations for the…
The classification of bunching of straight steps on vicinal crystal surfaces identifies two types according to the behavior of the minimal step-step distance in the bunch lmin with increasing the number of steps N in it. In the B1-type lmin…
Most complex systems are intrinsically dynamic in nature. The evolution of a dynamic complex system is typically represented as a sequence of snapshots, where each snapshot describes the configuration of the system at a particular instant…
We devise a new 1D atomistic scale model of vicinal growth based on Cellular Automaton. In it the step motion is realized by executing the automaton rule prescribing how adatoms incorporate into the vicinal crystal. Time increases after…
The discovery of new functional and stable materials is a big challenge due to its complexity. This work aims at the generation of new crystal structures with desired properties, such as chemical stability and specified chemical…
Step meandering during growth of gallium nitride (0001) surface is studied using kinetic Monte Carlo method. Simulated growth process, conducted in N-rich conditions are therefore controlled by Ga atoms surface diffusion. The model employs…