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We demonstrate how first-principles calculations using density-functional theory (DFT) can be applied to gain insight into the molecular processes that rule the physics of materials processing. Specifically, we study the molecular beam…
It is experimentally observed that adsorbate atoms and vacancies on (111) surfaces of fcc metals cluster into islands which are approximately hexagonal, but which on closer inspection turn out to have equilibrium facets which alternate in…
The equilibrium shapes and energies of coherent strained InP islands grown on GaP have been investigated with a hybrid approach that has been previously applied to InAs islands on GaAs. This combines calculations of the surface energies by…
The transport of collisional particles in stochastic magnetic fields is studied using the decorrelation trajectory method. The nonlinear effect of stochastic generation of magnetic island by magnetic line trapping is considered together…
Clean Si(111)-(7{x7) surfaces, followed by air-exposure, have been investigated by reflection high energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Fourier transforms (FTs) of STM images show the presence of…
A quantitative comparison between experimental and Monte Carlo simulation results for the epitaxial growth of Cu/Cu(001) in the submonolayer regime is presented. The simulations take into account a complete set of hopping processes whose…
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…
We present an analysis of the electron dynamics during rapid island merging in asymmetric magnetic reconnection. We consider a doubly periodic system with two asymmetric transitions. The upper layer is an asymmetric Harris sheet initially…
We present a theory for the damping of layer-by-layer growth oscillations in molecular beam epitaxy. The surface becomes rough on distances larger than a layer coherence length which is substantially larger than the diffusion length. The…
Calculating by analytical theory the deformation of finite-sized elastic bodies in response to internally applied forces is a challenge. Here, we derive explicit analytical expressions for the amplitudes of modes of surface deformation of a…
Evaporative lithography in cells of arbitrary configuration allows for the creation of diverse particle deposition patterns due to the formation of a specific flow structure in the liquid caused by non-uniform evaporation. The latter in…
The coarsening dynamics of three-dimensional islands on a growing film is discussed. It is assumed that the origin of the initial instability of a planar surface is the Ehrlich-Schwoebel step-edge barrier for adatom diffusion. Two…
We study numerically the ground-state properties of the repulsive Hubbard model for spin-1/2 electrons on two-dimensional lattices with disordered on-site energies. The projector quantum Monte Carlo method is used to obtain very accurate…
In this paper, we have formulated a phase-field model based on the grand-potential functional for the simulation of precipitate growth in the presence of coherency stresses. In particular, we study the development of dendrite-like patterns…
The adhesive behaviour of biological attachment structures such as spider web anchorages is usually studied using single or multiple peeling models involving "tapes", i.e. one-dimensional contacts elements. This is an oversimplification for…
We develop and implement numerically a phase field model for the growth and detachment of a gas bubble resting on an electrode and being filled with hydrogen produced by water electrolysis. The bubble is surrounded by a viscous liquid, has…
Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…
We have studied the approach to equilibrium of islands and pores in two dimensions. The two-regime scenario observed when islands evolve according to a set of particular rules, namely relaxation by steps at low temperature and smooth at…
We study mutual alignment and interactions between colloidal particles of dissimilar shapes and dimensions when dispersed in a nematic host fluid. Convex pentagonal and concave starfruit-shaped nanoprisms and microspheres induce dipolar or…
We present Monte Carlo simulations for the size and temperature dependence of the diffusion coefficient of adatom islands on the Cu(100) surface. We show that the scaling exponent for the size dependence is not a constant but a decreasing…