Related papers: Influence of Chain Interdiffusion Between Immiscib…
Silicone is frequently used as a model system to investigate and tune wetting on soft materials. Silicone is biocompatible and shows excellent thermal, chemical, and UV stability. Moreover, the mechanical properties of the surface can be…
Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…
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…
The effects of entanglement and chain orientation on strain hardening in glassy polymers are separated by examining mixtures of chains with different lengths. Simulations show that the orientation of a molecule of a given chain length is…
The glass transition temperature and relaxation dynamics of the segmental motions of thin films of polystyrene labeled with a dye, 4-[N-ethyl-N-(hydroxyethyl)]amino-4-nitraozobenzene (Disperse Red 1, DR1) are investigated using dielectric…
Thin liquid films on surfaces are part of our everyday life, they serve e.g. as coatings or lubricants. The stability of a thin layer is governed by interfacial forces, described by the effective interface potential, and has been subject of…
Microgel suspensions of Interpenetrated Polymer Network (IPN) of PNIPAM and PAAc in D$_2$O, have been investigated through dynamic light scattering as a function of temperature, pH and concentration across the Volume Phase Transition (VPT).…
The polymer nanocomposites find applications in diverse areas ranging from smart materials to bioengineering. They are developed by dispersion of nanomaterials in a bulk phase of a polymeric material. Although several methods facilitate…
The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…
Glass transition process gets affected in ultrathin films having thickness comparable to the size of the molecules. We observe systematic broadening of glass transition temperature (Tg) as the thickness of the polymer film reduces below the…
Polymer thin films exhibit pronounced interfacial mobility gradients that modify chain relaxation, yet how these gradients govern chain-scale dynamics across depth remains incompletely understood. Using molecular dynamics simulations of…
The mesoscopic modeling of three polysiloxanes in solution is reported in this work, with the purpose of predicting their physicochemical properties as functions of the quality of the solvent, so that a judicious choice of polymer/solvent…
Long linear polymers in a depinned interfaces environment have been studied for a long time, for instance in \cite{Caravenna2009depinning} when the temperature is constant. In this paper, we study an extension of this model by making the…
We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…
In large area micro hot embossing, the process temperature plays a critical role to both the local fidelity of microstructure formation and global uniformity. The significance of low temperature hot embossing is to improve global flatness…
Nanoscale polymeric thin films are widely used in diverse applications such as energy devices, flexible electronics and biosensors, where a satisfactory mechanical performance is of vital importance to realize their full functionality. It…
We use computer simulations to investigate the stability of a two-component polymer brush de-mixing on a curved template into phases of different morphological properties. It has been previously shown via molecular dynamics simulations that…
Crosslinked polyurethane adhesives show large deformation viscoelastic behaviour and age under the moisture influence because of their hygroscopic behaviour. The viscoelastic behaviour of the material is modelled with the micromechanical…
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in which the glass transition is driven by the competition…
In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric systems. Polymer brushes in relative sliding motion,…