Related papers: The Aggregation Kinetics of a Simulated Telechelic…
We show that non-entangled polymers display an elastic-like behaviour at a macroscopic scale (probed at some 0.100 mm thickness) up to at least hundred degrees above the glass transition temperature. This observation, found under…
We present the results of an Eulerian adaptive mesh refinement (AMR) hydrodynamical and N-body simulation in a $\Lambda$CDM cosmology. The simulation incorporates common cooling and heating processes for primordial gas. A specific halo…
We use computer simulations to study the relaxation dynamics of a model for oil-in-water microemulsion droplets linked with telechelic polymers. This system exhibits both gel and glass phases and we show that the competition between these…
We consider models of identical pulse-coupled oscillators with global interactions. Previous work showed that under certain conditions such systems always end up in sync, but did not quantify how small clusters of synchronized oscillators…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
We investigate - with Monte Carlo computer simulations - the phase behaviour of dimeric colloidal molecules on periodic substrates with square symmetry. The molecules are formed in a two-dimensional suspension of like charged colloids…
Convective self-aggregation is a modelling paradigm for thunderstorm organisation over a constant-temperature tropical sea surface. This setup can give rise to cloud clusters over timescales of weeks. In reality, sea surface temperatures do…
We present fully atomistic Molecular Dynamics simulation results on a main-chain polymer, 1,4-Polybutadiene, in the merging region of the $\alpha$- and $beta$-relaxations. A real space analysis reveals the occurrence of localized motions…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
We propose an efficient Monte Carlo algorithm for the off-lattice simulation of dense hard sphere polymer melts using cluster moves, called event chains, which allow for a rejection-free treatment of the excluded volume. Event chains also…
We study the thermodynamics and kinetics of folding for a small peptide. Our data rely on Monte Carlo simulations where the interactions among all atoms are taken into account. Monte Carlo kinetics is used to study folding of the peptide at…
The adsorption of a single multi-block $AB$-copolymer on a solid planar substrate is investigated by means of computer simulations and scaling analysis. It is shown that the problem can be mapped onto an effective homopolymer adsorption…
We study the formation of a colloidal gel by means of Molecular Dynamics simulations of a model for colloidal suspensions. A slowing down with gel-like features is observed at low temperatures and low volume fractions, due to the formation…
Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…
Thermoresponsive microgels find widespread use as colloidal model systems, because their temperature-dependent size allows facile tuning of their volume fraction "in situ". However, an interaction potential unifying their behavior across…
New simulations are presented which investigate the formation of smaller groups of galaxies in a CDM like universe. The simulations follow the evolution of dark matter and gas and are performed with an SPH code adapted for the…
We use thermodynamic perturbation theory to calculate the free energies and resulting phase diagrams of binary systems of spherical colloidal particles and interacting polymer coils in good solvent within an effective one-component…
In dense molecular clouds collisions between dust grains alter the ISM-dust size distribution. We study this process by inserting the results from detailed numerical simulations of two colliding dust aggregates into a coagulation model that…
We present a study of galaxy mergers up to $z=10$ using the Planck Millennium cosmological dark matter simulation and the {\tt GALFORM} semi-analytical model of galaxy formation. Utilising the full ($800$ Mpc)$^3$ volume of the simulation,…
We investigate irreversible aggregation in which monomer-monomer, monomer-cluster, and cluster-cluster reactions occur with constant but distinct rates K_{MM}, K_{MC}, and K_{CC}, respectively. The dynamics crucially depends on the ratio…