How important are fluctuations in the treatment of internal friction in polymers?
| Autor: | Rajarshi Chakrabarti, R. Kailasham, J. Ravi Prakash |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Friction
Polymers Molecular Conformation FOS: Physical sciences 02 engineering and technology Condensed Matter - Soft Condensed Matter Molecular Dynamics Simulation 03 medical and health sciences Viscosity Chain (algebraic topology) 030304 developmental biology Physics chemistry.chemical_classification 0303 health sciences General Chemistry Mechanics Polymer 021001 nanoscience & nanotechnology Condensed Matter Physics Internal friction chemistry Brownian dynamics Soft Condensed Matter (cond-mat.soft) 0210 nano-technology Shear flow |
| DOI: | 10.48550/arxiv.2103.07140 |
| Popis: | The Rouse model with internal friction (RIF), a widely used theoretical framework to interpret the effects of internal friction on conformational transitions in biomolecules, is shown to be an approximate treatment that is based on preaveraging internal friction. By comparison with Brownian dynamics simulations of an exact coarse-grained model that incorporates fluctuations in internal friction, the accuracy of the preaveraged model predictions is examined both at and away from equilibrium. While the two models predict intrachain autocorrelations that approach each other for long enough chain segments, they differ in their predictions for shorter segments. Furthermore, the two models differ qualitatively in their predictions for the chain extension and viscosity in shear flow, which is taken to represent a prototypical out-of-equilibrium condition. Comment: 24 pages, 10 figures |
| Databáze: | OpenAIRE |
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