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How a local active force modifies the structural properties of polymers.

Laura Natali, Lorenzo Caprini, Fabio Cecconi

2020PubMed26 citationsDOIOpen Access PDF

Abstract

We study the dynamics of a polymer, described as a variant of a Rouse chain, driven by an active terminal monomer (head). The local active force induces a transition from a globule-like to an elongated state, as revealed by the study of the end-to-end distance, the variance of which is analytically predicted under suitable approximations. The change in the relaxation times of the Rouse-modes produced by the local self-propulsion is consistent with the transition from globule to elongated conformations. Moreover, also the bond-bond spatial correlation for the chain head are affected by the self-propulsion and a gradient of over-stretched bonds along the chain is observed. We compare our numerical results both with the phenomenological stiff-polymer theory and several analytical predictions in the Rouse-chain approximation.

Topics & Concepts

PolymerMonomerChain (unit)Dynamics (music)Molecular dynamicsChemical physicsChemistryMaterials scienceComputational chemistryPhysicsOrganic chemistryAcousticsAstronomyMicro and Nano RoboticsLipid Membrane Structure and BehaviorMolecular Communication and Nanonetworks