Related papers: Burton-Cabrera-Frank theory for surfaces with alte…
We investigate the equilibrium properties of bcc-liquid interfaces modeled with a continuum phase-field crystal (PFC) approach [K. R. Elder and M. Grant, Phys. Rev. E 70, 051605 (2004)]. A multiscale analysis of the PFC model is carried out…
We propose a novel approach to continuum modeling of the dynamics of crystal surfaces. Our model follows the evolution of an ensemble of step configurations, which are consistent with the macroscopic surface profile. Contrary to the usual…
We study a minimal stochastic model of step bunching during growth on a one-dimensional vicinal surface. The formation of bunches is controlled by the preferential attachment of atoms to descending steps (inverse Ehrlich-Schwoebel effect)…
We use the mesoscopic nonequilibrium thermodynamics theory to derive the general kinetic equation of a system in the presence of potential barriers. The result is applied to the description of the evolution of systems whose dynamics is…
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…
An adiabatic approach is developed for the problem of boundary friction between two atomically smooth and incommensurate solid surfaces, separated by a monolayer of lubricant atoms. This method permits to consider very slow macroscopic…
The kinetics of monoatomic steps in diffusion-controlled crystal growth and evaporation processes are investigated analytically using a Green's function approach. Integro-differential equations of motion for the steps are derived; and a…
Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC…
The present study focuses on the optical properties of functionalized surfaces and how the surface geometry impacts them. Physical measurements of reflected light are required to understand the visual aspect of such surfaces. Bidirectional…
The phase-field crystal (PFC) model describes crystal lattices at diffusive timescales. Its amplitude expansion (APFC) can be applied to the investigation of relatively large systems under some approximations. However, crystal symmetries…
(See the complete abstract within the thesis in both English and German versions) In this thesis, the process conditions of the epitaxial graphene growth through a socalled polymer-assisted sublimation growth method are minutely…
Heteroepitaxial structures based on Bi$_{2}$Te$_{3}$-type topological insulators (TIs) exhibit exotic quantum phenomena. For optimal characterization of these phenomena, it is desirable to control the interface structure during film growth…
A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…
Surface growth, by association or dissociation of material on the boundaries of a body, is ubiquitous in both natural and engineering systems. It is the fundamental mechanism by which biological materials grow, starting from the level of a…
Anomalous diffusion, in particular subdiffusion, is frequently invoked as a mechanism of motion in dense biological media, and may have a significant impact on the kinetics of binding/unbinding events at the cellular level. In this work we…
We investigate the growth of the graphene buffer layer and the involved step bunching behavior of the silicon carbide substrate surface using atomic force microscopy. The formation of local buffer layer domains are identified to be the…
We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…
We propose a novel approach to continuum modelling of dynamics of crystal surfaces. Our model follows the evolution of an ensemble of step configurations, which are consistent with the macroscopic surface profile. Contrary to the usual…
We approach the old-standing problem of vicinal crystal surfaces destabilized by step-down and step step-up currents from a unified modelling viewpoint with focus on both the initial and the intermediate stages of the instability. We…
Comprehensive investigations of crystalline systems often require methods bridging atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are of particular interest as they allow the examination of large…