Related papers: Multiscale Prediction of Polymer Relaxation Dynami…
We investigate the heterogeneous dynamics in a model, where chemical gelation and glass transition interplay, focusing on the dynamical susceptibility. Two independent mechanisms give raise to the correlations, which are manifested in the…
The structural relaxation, potential energy states, and mechanical properties of a model glass subjected to thermal cycling are investigated using molecular dynamics simulations. We study a non-additive binary mixture which is annealed with…
The dramatic slowdown of dynamics in supercooled liquids approaching the glass transition remains one of the central unresolved problems in condensed matter physics. We review approaches that attribute this slowdown to growing thermodynamic…
We present a Generalized Langevin Equation for the dynamics of interacting semiflexible polymer chains, undergoing slow cooperative dynamics. The calculated Gaussian intermolecular center-of-mass and monomer potentials, wich enter the GLE,…
Polymer-related materials exhibit rich glassy behaviors at different length scales due to their various molecular structures and topological constraints. Recent studies have identified transient interpenetration of the long-chain rings…
Specific heat and linear thermal expansivity are fundamental thermal dynamics and have been proven as interesting relaxing quantities to investigate in glass transition and glassy state. However, their possibility has much less been…
Large scale molecular dynamics and grand canonical Monte Carlo simulation techniques are used to study the behavior of the interdiffusion of a solvent into an entangled polymer matrix as the state of the polymer changes from a melt to a…
Kinetic equations are analyzed for thermal degradation of polymers. The governing relations are based on the fragmentation-annihilation concept. Explicit solutions to these equations are derived in two particular cases of interest. For…
A low temperature Monte Carlo dynamics of a Keating like oscillator model is used to study the relationship between the nature of glasses from the viewpoint of rigidity, and the strong-fragile behaviour of glass-forming liquids. The model…
In this study, we propose a theoretical framework to investigate the interactions between flexible polymer chains, specifically polyelectrolytes (PEs). By calculating the system's free energy while considering position-dependent mutual…
The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…
In this paper the phenomenon of dynamic heterogeneity in supercooled liquid systems is considered in terms of the recently proposed gauge theory of glass transition. The physical interpretation of the dynamic scaling is considered. It is…
The present work concerns the transferability of coarse-grained (CG) modeling in reproducing the dynamic properties of the reference atomistic systems across a range of parameters. In particular, we focus on implicit-solvent CG modeling of…
The lack of ultimate scaling relations for previtreous changes of the primary relaxation time or viscosity in glass-forming systems constitutes the grand fundamental challenge, also hindering the development of relevant material engineering…
We apply our recently-developed mean-field 'SL-TS2' (two-state Sanchez-Lacombe) model to simultaneously describe dielectric alpha-relaxation time and pressure-volume-temperature (PVT) data in four polymers (polystyrene,…
This study explores the potential for predicting turbulent kinetic energy (TKE) from more readily acquired temperature data using temperature profiles and turbulence data collected concurrently at 10 Hz during a small experimental…
The glass transition refers to the non-equilibrium process by which an equilibrium liquid is transformed to a non-equilibrium disordered solid, or vice versa. Associated response functions, such as heat capacities, are markedly different on…
The glass transition is considered within two toys models, a mean field spin glass and a directed polymer in a correlated random potential. In the spin glass model there occurs a dynamical transition, where the system condenses in a state…
We investigate the structural relaxation of a soft-sphere liquid quenched isochorically ($\phi=0.7$) and instantaneously to different temperatures $T_f$ above and below the glass transition. For this, we combine extensive Brownian dynamics…
We consider damage spreading transitions in the framework of mode-coupling theory. This theory describes relaxation processes in glasses in the mean-field approximation which are known to be characterized by the presence of an exponentially…