Related papers: Simple crystallizable bead-spring polymer model
The breakdown of the time-temperature superposition (TTS) near its glass transition temperature (Tg) in simple bead-spring polymer melts with and without the chain angle potential was numerically investigated. The stress relaxation modulus…
We introduce a new model of hard spheres under confinement for the study of the glass and jamming transitions. The model is an one-dimensional chain of the $d$-dimensional boxes each of which contains the same number of hard spheres, and…
Crystallization from an amorphous atomic structure is usually seen as a spontaneous process in pursuit of a lower energy state, but for alloy systems it is often hard to elucidate because of the intrinsic structural and compositional…
We study the phase behavior of hard spheres confined between two parallel hard plates using extensive computer simulations. We determine the full equilibrium phase diagram for arbitrary densities and plate separations from one to five…
We study the critical dynamics of crystals which undergo a second-order phase transition from a high-temperature normal phase to a structurally incommensurate (IC) modulated phase. We give a comprehensive description of the critical…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
Solidification pattern during nonequilibrium crystallization is among the most important microstructures in the nature and technical realms. Phase field crystal (PFC) model could simulate the pattern formation during equilibrium…
We study the statistical mechanics of double-stranded semi-flexible polymers using both analytical techniques and simulation. We find a transition at some finite temperature, from a type of short range order to a fundamentally different…
We present a computationally efficient multiscale method for preparing equilibrated, isotropic long chain model polymer melts. As an application we generate Kremer-Grest melts of $1000$ chains with $200$ entanglements and $25000$-$2000$…
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
We find that a column of glass beads exhibits a well-defined transition between two phases that differ in their resistance to shear. Pulses of fluidization are used to prepare static states with well-defined particle volume fractions $\phi$…
Advances in experimental techniques and in theoretical models have improved our understanding of protein crystallization. But they have also left open questions regarding the protein phase behavior and self-assembly kinetics, such as why…
We analyze the freezing and collapse transition of a simple model for flexible polymer chains on simple cubic and face-centered cubic lattices by means of sophisticated chain-growth methods. In contrast to bond-fluctuation polymer models in…
We report on the linear viscoelastic properties of mixtures comprising multiarm star (as model soft colloids) and long linear chain homopolymers in a good solvent. In contrast to earlier works, we investigated symmetric mixtures (with a…
We investigate the quenching process in lattice systems with short range interaction and several crystalline states as ground states. We consider in particular the following systems on square lattice: - hard particle (exclusion) model; - q…
The nature of polyamorphism and amorphous-to-amorphous transition is investigated by means of an exactly solvable model with quenched disorder, the spherical s+p multi-spin interaction model. The analysis is carried out in the framework of…
We discuss the microscopic mechanisms by which low-temperature amorphous states, such as ultrastable glasses, transform into equilibrium fluids, after a sudden temperature increase. Experiments suggest that this process is similar to the…
Using large-scale numerical simulations we studied the kinetics of the 2d q-Potts model for q > 4 after a shallow subcritical quench from a high-temperature homogeneous configuration. This protocol drives the system across a first-order…
A liquid can form under cooling a glassy state either as a result of a continuous slowing down or by a first order polyamorphous phase transition. The second scenario has so far always been observed below the melting point where it…
Quantum kinetically constrained models can exhibit a wealth of dynamical phenomena ranging from anomalous transport to Hilbert-space fragmentation (HSF). We study a class of one-dimensional particle number conserving systems where particle…