Related papers: Mode-coupling theory for structural and conformati…
We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…
We present a theory for the steady-state dynamics of a two-dimensional system of spherically symmetric active Brownian particles. The derivation of the theory consists of two steps. First, we integrate out the self-propulsions and obtain a…
Mode-coupling theory (MCT) is conjectured to be a mean-field description of dynamics of the structural glass transition and the replica theory to be its thermodynamic counterpart. However, the relationship between the two theories remains…
For almost thirty years, mode-coupling theory has been the most widely discussed and used but also the most controversial theory of the glass transition. In this paper we briefly review the reasons for both its popularity and its…
Mode-coupling theory for uniformly sheared underdamped systems with an isothermal condition is presented. As a result of the isothermal condition, it is shown that the shear stress exhibits significant relaxation at the alpha-relaxation…
We develop a microscopic theory to analyze the phase behaviour and compute correlation functions of dense assemblies of soft repulsive particles both at finite temperature, as in colloidal materials, and at vanishing temperature, a…
The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…
We investigate the statistical mechanics of glass-forming materials and jamming matter by means of a geometrically driven approach based on a revised cell theory. By considering the system as constituted of jammed blocks of increasing…
The interplay of slow dynamics and thermodynamic features of dense liquids is studied by examinining how the glass transition changes depending on the presence or absence of Lennard-Jones-like attractions. Quite different thermodynamic…
The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…
We have mapped the physics of polymer melts onto a time-dependent Landau-Ginzburg $|\psi|^4$ field theory using techniques of functional integration. Time in the theory is simply a label for the location of a given monomer along the extent…
We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed…
Mode-coupling theory (MCT) constitutes one of the few first-principles-based approaches to describe the physics of the glass transition, but the theory's inherent approximations compromise its accuracy in the activated glassy regime. Here…
We provide a detailed derivation of the mode-coupling equations for a colloidal liquid confined by two parallel smooth walls. We introduce irreducible memory kernels for the different relaxation channels thereby extending the projection…
In this paper, we introduce a simple mode-coupling model for concentrated suspensions under flow . This model exhibits a jamming transition, and stress vs shear rate relations which are very similar to experimental results. Namely newtonian…
Bonding between polymeric interfaces is encountered widely in several industrial applications. Many of these bonding processes rely on time-consuming and temperature-dependent classical mechanism of polymer interdiffusion via reptation in a…
We review recent results from computer simulation studies of polymer glasses, from chain dynamics around the glass transition temperature Tg to the mechanical behaviour below Tg. These results clearly show that modern computer simulations…
We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is…
We present results from Molecular Dynamics simulations of the thermal glass transition in a dense polymer melt. In previous work we compared the simulation data with the idealized version of mode coupling theory (MCT) and found that the…
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…