Rouse Modes of Self-avoiding Flexible Polymers

Abstract

Using a lattice-based Monte Carlo code for simulating self-avoiding flexible polymers in three dimensions in the absence of explicit hydrodynamics, we study their Rouse modes. For self-avoiding polymers, the Rouse modes are not expected to be statistically independent; nevertheless, we demonstrate that numerically these modes maintain a high degree of statistical independence. Based on high-precision simulation data we put forward an approximate analytical expression for the mode amplitude correlation functions for long polymers. From this, we derive analytically and confirm numerically several scaling properties for self-avoiding flexible polymers, such as (i) the real-space end-to-end distance, (ii) the end-to-end vector correlation function, (iii) the correlation function of the small spatial vector connecting two nearby monomers at the middle of a polymer, and (iv) the anomalous dynamics of the middle monomer. Importantly, expanding on our recent work on the theory of polymer translocation, we also demonstrate that the anomalous dynamics of the middle monomer can be obtained from the forces it experiences, by the use of the fluctuation-dissipation theorem.

16 pages (double spaced), 5 figures, small changes and corrections, to appear in J. Chem. Phys

References in corpus (9)

• Monte Carlo Simulation of Long Chain Polymer Melts: Crossover from Rouse to Reptation Dynamics
• Anomalous Dynamics of Unbiased Polymer Translocation through a Narrow Pore
• Pore-blockade Times for Field-Driven Polymer Translocation
• Passage Times for Unbiased Polymer Translocation through a Narrow Pore
• Passage Times for Polymer Translocation Pulled through a Narrow Pore
• Polymer Translocation out of Planar Confinements
• Non-Equilibrium Dynamics of Single polymer Adsorption to Solid Surfaces
• Reaching large lengths and long times in polymer dynamics simulations
• Amplitude and Frequency Spectrum of Thermal Fluctuations of A Translocating RNA Molecule

Cited by in corpus (21)

• Non-Markovian polymer reaction kinetics
• Anomalous Polymer Dynamics Is Non-Markovian: Memory Effects and The Generalized Langevin Equation Formulation
• Chain reconfiguration in active noise
• Generalized Langevin Equation Formulation for Anomalous Polymer Dynamics
• Reactive conformations and non-Markovian reaction kinetics of a Rouse polymer searching for a target in confinement
• Probabilistic Phase Space Trajectory Description for Anomalous Polymer Dynamics
• Complementary mode analyses between sub- and super-diffusions
• Reconfiguration Dynamics in folded and intrinsically disordered protein with internal friction: Effect of solvent quality and denaturant
• Brownian cluster dynamics with short range patchy interactions. Its application to polymers and step-growth polymerization
• Structural modes of a polymer in the repton model
• Unwinding dynamics of double-stranded polymers
• Generalised Langevin Equation Formulation for Anomalous Diffusion in the Ising Model at the Critical Temperature
• A model for the dynamics of extensible semiflexible polymers
• Dynamical Eigenmodes of a Polymerized Membrane
• Critical Dynamical Exponent of the Two-Dimensional Scalar ${\varphi }^4$ Model with Local Moves
• A lattice polymer study of DNA renaturation dynamics
• Langevin analogy between particle trajectories and polymer configurations
• Preaveraging description of polymer nonequilibrium stretching
• Approximate dynamical eigenmodes of the Ising model with local spin-exchange moves
• Assessing the polymer coil-globule state from the very first spectral modes
• Projection of strong coupling interaction with thermal bath in a polymer