Rouse model in crowded environment modeled by “diffusing diffusivity”

Ahamad, Nabi; Debnath, Pallavi

doi:10.1016/j.physa.2020.124335

Cited by 5 publications

(13 citation statements)

References 47 publications

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“…and monomer dynamics in unentangled polymer melts, hidden in the complex derived equations. [17] Precisely, we apply the model to united atom molecular dynamics (UAMD) simulation trajectories of polyethylene (PE) melts from other research groups [18][19][20] consistent with the existing understanding. [4][5][6] OU parameters finely tune the coupling between the tagged chain and the environment in contrast to the mode-coupling theories in conventional approaches.…”

Section: Introductionmentioning

confidence: 59%

“…The details are in ref. [17]. N = (s − 1)l is the chain contour length, 3k B T∕b, the compression modulus of springs (bonds), where b is the Kuhn length.…”

Section: Theorymentioning

confidence: 99%

“…We recently generalized these initial analytic formulations to the many-particle system with localized interactions, a chain of connected beads, namely the Rouse model. [17] Diffusion coefficients of independent Rouse modes are stochastic in time, modeled as multidimensional Ornstein-Uhlenbeck (OU) processes. The present work illustrates that the modified Rouse model with diffusing diffusivity reproduces the anomalous, non-Gaussian c.m.…”

Section: Introductionmentioning

confidence: 99%

“…Section 2 briefly highlights key points of our approach from ref. [17] with the crucial results relegated to Appendix A, the minimal required for discussion in this paper. The discussion in Section 3 includes the illustration and the model's predictions for PE melts, applicable to other polymeric liquids and experiments.…”

Section: Introductionmentioning

confidence: 99%

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Diffusing Diffusivityin Dynamics of Unentangled Polymer Melts

Shukla

Ahamad

Debnath

2021

Macro Theory & Simulations

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The exact results for Rouse chain dynamics in the crowded environment modeled by diffusing diffusivity (N. Ahamad and P. Debnath, Phys. A 2020,549, 124335) in explaining polymer melt dynamics is explored. Theory for p = 0 mode accounts for anomalous and non-Gaussian diffusion in the center of mass (c.m.) and monomer dynamics of united atom molecular dynamics simulation trajectories of unentangled polyethylene melts, with excellent agreement. Accurate estimates of scaling relations for c.m. and monomer mean square displacement with time interval t are obtained. The corresponding c.m. and monomer diffusion coefficients as a function of t confirm diffusing diffusivity in polymer melts. It is shown shown that the dependent parameters of the modified Rouse model expressed in terms of all modes are reducible to an identical set of per mode parameter values on application to real data. Analysis of velocity autocorrelation functions indicates that the theory is tested on simulation trajectories of polymer melts with friction. The theory estimates for additional power-law exponents in the exponential of displacement distributions agree with the data. The results show fairly convincingly that the Rouse model with diffusing diffusivity may find scope as an alternate theoretical formalism for polymeric liquids.

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Section: Introductionmentioning

confidence: 59%

“…The details are in ref. [17]. N = (s − 1)l is the chain contour length, 3k B T∕b, the compression modulus of springs (bonds), where b is the Kuhn length.…”

Section: Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Diffusing Diffusivityin Dynamics of Unentangled Polymer Melts

Shukla

Ahamad

Debnath

2021

Macro Theory & Simulations

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“…In other direction, it can be extended to higher dimensions which is relevant while to be dealing with real biological systems. In addition, one may incorporate heterogeneity and interactions together to look into the many-body problem such as biopolymers and active gels [55,56].…”

Section: Discussionmentioning

confidence: 99%

Motion of an active particle with dynamical disorder

Goswami,

Chakrabarti

2021

Preprint

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We propose a model for the motion of a single active particle in a heterogeneous environment where the heterogeneity may arise due to the crowding, conformational fluctuations and/or slow rearrangement of the surroundings. Describing the active particle in terms of the Ornstein-Uhlenbeck process (OUP) and incorporating the heterogeneity in the thermal bath using the two separate models, namely "diffusing diffusivity" and "switching diffusion", we explore the essential dynamical properties of the particle for its one-dimensional motion.In addition, we show how the dynamical behavior is controlled by two timescales, namely diffusive time and persistence time. Our model is relevant in the context of single particle dynamics in crowded environment, driven by activity.

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Random diffusivity models for scaled Brownian motion

Santos

Menon

2021

Chaos, Solitons & Fractals

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Rouse model in crowded environment modeled by “diffusing diffusivity”

Cited by 5 publications

References 47 publications

Diffusing Diffusivityin Dynamics of Unentangled Polymer Melts

Diffusing Diffusivityin Dynamics of Unentangled Polymer Melts

Motion of an active particle with dynamical disorder

Random diffusivity models for scaled Brownian motion

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