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A one-dimensional long-range model of classical rotators with an extended degree of complexity, as compared to paradigmatic long-range systems, is introduced and studied. Working at constant density, in the thermodynamic limit one can prove…
We report first results of an implementation of a chemical model in a cosmological code, based on the Smoothed Particle Hydrodynamics (SPH) technique. We show that chemical SPH simulations are a promising tool to provide clues for the…
We present models of surfaces of crystals in an environment where molecular beam epitaxy (MBE) and related methods of crystal growth like atomic layer epitaxy (ALE) can be performed. Besides detailed models of reconstructed (001) surfaces…
Understanding the kinetic selectivity of carbon nanotube growth at the scale of individual nanotubes is essential for the development of high chiral selectivity growth methods. Here we demonstrate that homodyne polarization microscopy can…
We have studied the growth kinetics of isolated precipitates growing from a supersaturated matrix in 3-dimensions (3-D) using phase field models; we assume isotropic interfacial energy consider both constant and variable diffusivity. We…
As the number of theoretically predicted materials continues to grow, it becomes increasingly important to assess not only their thermodynamic stability but also their kinetic viability under realistic synthesis conditions. In this study,…
We introduce a method for classical trajectory calculations to simulate collisions between atoms and large rigid asymmetric-top molecules. Using this method, we investigate the formation of molecule-helium complexes in buffer-gas cooling…
A hybrid model of molecular dynamics and continuum mechanics is introduced to study a system of vertically shaken granular layers. Despite the simplicity the model shows pattern formation in the granular layers due to the formation of…
Supersonic turbulence is believed to be at the heart of star formation. We have performed smoothed particle magnetohydrodynamics (SPMHD) simulations of the small-scale dynamo amplification of magnetic fields in supersonic turbulence. The…
Crystal growth has been widely studied for many years, and, since the pioneering work of Burton, Cabrera and Frank, spirals and target patterns on the crystal surface have been understood as forms of tangential crystal growth mediated by…
The microscopic understanding of the dramatic increase in viscosity of liquids when cooled towards the glass transition is a major unresolved issue in condensed matter physics. Here, we use machine learning methods to accelerate molecular…
In this study we report on a novel two-step epitaxial growth technique that enables a significant improvement of the crystal quality of nitrogen-polar GaN. The starting material is grown on 4{\deg} vicinal sapphire substrates by metal…
Using plasma-enhanced chemical vapor deposition (PECVD) with Acetylene and Ammoniac on Pd-specimens Carbon nanotubes (CNT) could be produced successfully. Two different devices are compared and the conditions for best growth conditions are…
In order to find a measure of the dynamical features of phase separation kinetics during spinodal decomposition of a liquid binary mixture (like water and cyclohexane , water and 2,6 lutidiene or methanol and cyclohexane), we study both the…
This paper is devoted to investigate the pattern formation of a volume-filling chemotaxis model with logistic cell growth. We first apply the local stability analysis to establish sufficient conditions of destabilization for uniform…
We use a coarse-grained model of DNA-functionalized particles to understand the role of DNA chain length on their self-assembly. We find that the increasing chain length for a given particle size decreases the propensity to form ordered…
We examine the budding of a nanoscale particle through a lipid bilayer using molecular dynamics simulations, free energy calculations, and an elastic theory, with the aim of determining the extent to which equilibrium elasticity theory can…
The method of molecular dynamics and molecular mechanics has been used to numerically simulate the formation of wrinkle systems during compression of a graphene sheet lying on a flat solid substrate. It is shown that under uniaxial…
We study numerically the crystallization process in a supersaturated suspension of repulsive colloidal particles driven by simple shear flow. The effect of the shear flow on crystallization is two-fold: while it suppresses the initial…
Using molecular dynamics simulations, with a realistic many-body embedded-atom potential, and a novel method to characterize local order, we study the structure of pure nickel during the rapid quench of the liquid and in the resulting…