Related papers: Polymer-Enforced Crystallization of a Eutectic Bin…
We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key…
We investigate the segregation pattern formations of strongly and weakly fluctuated Brownian particle mixtures, which are confined in spherical containers with finite volumes. We consider systems where the container restricts the motions of…
The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures for a given chemical composition. Here we extend this method to predict the crystal structure of polymers by…
The scaled particle theory is developed for the description of thermodynamical properties of a mixture of hard spheres and hard spherocylinders. Analytical expressions for free energy, pressure and chemical potentials are derived. From the…
In a recent publication we established an analogy between the free energy of a hard sphere system and the energy of an elastic network [1]. This result enables one to study the free energy landscape of hard spheres, in particular to define…
We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to…
We study the interaction of two parallel rigid cylinders on the surface of a thin elastic film supported on a pool of liquid. The excess energy of the surface due to the curvature of the stretched film induces attraction of the cylinders…
We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…
We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the…
Performing light scattering experiments we show that introducing short-ranged attraction to a colloidal suspension of nearly hard spheres by addition of free polymer produces new glass transition phenomena. We observe a dramatic…
Using molecular dynamics simulation, we investigate the slow dynamics of a supercooled binary mixture of soft particles interacting with a generalized Hertzian potential. At low density, it displays typical slow dynamics near its glass…
We present a theory for the dynamics of a binary mixture with particle size swaps. The theory is based on a factorization approximation similar to that employed in the mode-coupling theory of glassy dynamics. The theory shows that, in…
We use specialized Monte Carlo simulation methods and moment free energy calculations to provide conclusive evidence that dense polydisperse spheres at equilibrium demix into coexisting fcc phases, with more phases appearing as the spread…
We discuss phase coexistence of polydisperse colloidal suspensions in the presence of adhesion forces. The combined effect of polydispersity and Baxter's sticky-hard-sphere (SHS) potential, describing hard spheres interacting via strong and…
Dispersion properties of electromagnetic crystals formed by small uniaxial resonant scatterers (magnetic or electric) are studied using the local field approach. The goal of the study is to determine the conditions under which the…
We study microstructure formation in two nonconvex singularly-perturbed variational problems from materials science, one modeling austenite-martensite interfaces in shape-memory alloys, the other one slip structures in the plastic…
Recent experiments in some polymer melts quenched below the melting temperature have reported spinodal kinetics in small-angle X ray scattering before the emergence of crystalline structure. To explain these observations we propose that the…
Hard spheres with an attraction of range a tenth to a hundredth of the sphere diameter are constrained to remain fluid even at densities when monodisperse particles at equilibrium would have crystallised, in order to compare with…
The static dipole polarisability of noble gas atoms confined by impenetrable spheres and spherical shells is studied using the B-spline random phase with exchange approximation. The general trend in dipole polarisabilities across the noble…
Equilibration of polymer melts containing highly entangled long polymer chains in confinement or with free surfaces is a challenge for computer simulations. We approach this problem by first studying polymer melts based on the soft-sphere…