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An elastic rod model for semi-flexible polymers is presented. Theory for a continuum rod is reviewed, and it is shown that a popular discretised model used in numerical simulations gives the correct continuum limit. Correlation functions…
Chitosan is a highly versatile and sustainable polymer with a broad range of potential biological and materials engineering applications. Despite its versatility, the native brittleness of chitosan limits its broader utilization. This…
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).…
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…
Although polymerization and curing reactions govern the performance of advanced materials, their simulation remains challenging owing to the need for accurate, transferable potentials and rarity of chemical events. Conventional reactive…
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…
Crystalline order in dense packings of long polymers with a definite handedness is difficult to reconcile with the tendency of these chiral objects to twist and braid about each other. If the chirality is weak, the state of lowest energy is…
Stimuli-responsive lyogels are known for their ability to undergo significant macroscopic changes when exposed to external stimuli. While thermo-responsive gels, such as poly N isopropylacrylamide (pNIPAM), have been extensively studied…
We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical…
Recent experiments suggest that shear-enhanced growth of concentration fluctuations in polymer solutions is strongly influenced by solid boundaries. We analyze the dynamics of a model of a sheared polymer solution, accounting for the effect…
In order to investigate the rheological properties of viscoelastic fluids by mesoscopic hydrodynamics methods, we develop a multi-particle collision dynamics (MPC) model for a fluid of harmonic dumbbells. The algorithm consists of…
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…
The slip phenomena in thin polymer films confined by either flat or periodically corrugated surfaces are investigated by molecular dynamics and continuum simulations. For atomically flat surfaces and weak wall-fluid interactions, the shear…
The slip behavior of polydimethylsiloxane (PDMS) polymer melts flowing on non-adsorbing surfaces made of short non-entangled PDMS chains densely end-grafted to silica has been characterized. For high enough shear rates, constant slip…
Bundles of filamentous polymers are primary structural components of a broad range of cytoskeletal structures, and their mechanical properties play key roles in cellular functions ranging from locomotion to mechanotransduction and…
Packings of macroscopic granular chains capture some of the essential aspects of molecular polymer systems and have been suggested as a paradigm to understand the physics on a molecular scale. However, here we demonstrate that the…
Polymer bottlebrushes provide intriguing features being relevant both in nature and in synthetic systems. While their presence in the articular cartilage optimizes synovial joint lubrication, bottlebrushes offer pathways for fascinating…
Metamaterials benefit from unique architected patterns to achieve lightweight with exceptional mechanical properties inaccessible to conventional materials. Typical mechanical metamaterials are inspired by crystal-like lattice structures,…
We study the friction of a poly(dimethylsiloxane) (PDMS) rubber network sliding, at low velocity, on a substrate on which PDMS chains are end-tethered. We thus clearly evidence the contribution to friction of the pull-out mechanism of…
The properties of semidilute polymer solutions are investigated at equilibrium and under shear flow by mesoscale simulations, which combine molecular dynamics simulations and the multiparticle collision dynamics approach. In semidilute…