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Using computer simulations in two dimensions we investigate the dynamics and structure of passive polymeric tracer with different topologies immersed in a low-density active particle bath. One of the key observations is that polymer exhibit…
Industrial polymeric materials often rely on antioxidants to achieve long-term reliability. Previous studies have frequently discussed the stabilization effect in the presence of macroscopic additive migration. However, the micro- to…
The effect of annealing on the dynamical behavior of swelling for ultrathin polyacrylamide films deposited on silicon substrates have been studied using X-ray reflectivity technique. The spin coated polyacrylamide films of similar…
Structure formation in non-equilibrium steady state conditions is poorly understood. Non-equilibrium steady state can be achieved in a system by maintaining temperature gradient. A class of cross-linked micro-gel particles,…
Solutions of {\it trans}$-$polyisoprene in cyclohexane are investigated in atomistic detail at different compositions at two different temperatures. We investigate the influence of polymer concentration on the dynamics of the solvent…
The dynamics of the conjugated polymers poly(9,9-dioctylfluorene) (PF8) and poly(9,9-didodecylfluorene) (PF12), differing by the length of their side chains, is investigated in the amorphous phase using the quasielastic neutron scattering…
We use particle-in-cell (PIC) simulations and simple analytic models to investigate the laser-plasma interaction known as ponderomotive steepening. When normally incident laser light reflects at the critical surface of a plasma, the…
We describe the formation of swift heavy ion tracks in polyethylene (PE) by combining the Monte Carlo code TREKIS, which models electronic excitation in nanometric proximity of the ion trajectory, with the molecular dynamics simulating a…
Polymeric single-chain nanoparticles (SCNPs) are soft nano-objects synthesized by purely intramolecular cross-linking of single polymer chains. By means of computer simulations, we investigate the conformational properties of SCNPs as a…
The dynamics of a stiff filament (made by connecting beads) embedded in size-polydisperse hard sphere fluid is investigated by means of molecular dynamics simulations with focus on how the degree of size-polydispersity, characterized by…
We show how dynamic heterogeneities (DH), a hallmark of glass-forming materials, depend on chain flexibility and chain length in polymers. For highly flexible polymers, a relatively large number of monomers ($N_c\sim500$) undergo correlated…
The emergence of the solid state in glass-forming materials upon cooling is accompanied by changes in both thermodynamic and viscoelastic properties and by a precipitous drop in fluidity. Here, we investigate changes in basic elastic…
We employ computer simulations to study the dynamics of a self-propelled spherical tracer particle in a viscoelastic medium, made of a long polymer chain. Here, the interplay between viscoelasticity, stickiness, and activity…
We report molecular dynamics simulation results on the equilibrium properties of polymer thin films adsorbed onto flat and curved substrates. We first systematically determine the contact angle of polymer droplets on flat substrates as a…
The configurations taken by polymers embedded in out-of-equilibrium baths may have broad effects in a variety of biological systems. As such, they have attracted considerable interest, particularly in simulation studies. Here we analyze the…
We report results of extensive Dynamical Monte Carlo investigations on self-assembled Equilibrium Polymers (EP) without loops in good solvent. (This is thought to provide a good model of giant surfactant micelles.) Using a novel algorithm…
Thin polypropylene (CH$_2$) fibers have been used for internal experiments in storage rings as an option for hydrogen targets. The change of the hydrogen content due to the radiation dose applied by the circulating proton beam has been…
Micelles and vesicles are promising candidates in targeted drug/gene delivery, bioreactors, and templates for nanoparticle synthesis. We investigated the morphology and dynamics of PEG-PDMS-PEG triblock copolymer nano-scale assemblies…
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
We report classical and tight-binding molecular dynamics simulations of the C$_{60}$ fullerene and cubane molecular crystal in order to investigate intermolecular dynamics and polymerization processes. Our results show that, for 200 K and…