Brownian dynamics study of the end‐to‐end distribution function of star and linear polymers in different regimes

1989 ◽  
Vol 91 (6) ◽  
pp. 3721-3723 ◽  
Author(s):  
Marvin Bishop ◽  
Julian H. R. Clarke
Keyword(s):  
Distribution Function ◽  
Brownian Dynamics ◽  
Linear Polymers ◽  
End To End

Investigation of the end‐to‐end vector distribution function for linear polymers in different regimes

1991 ◽  
Vol 95 (6) ◽  
pp. 4589-4592 ◽  
Author(s):  
Marvin Bishop ◽  
Julian H. R. Clarke ◽  
Antonio Rey ◽  
Juan J. Freire
Keyword(s):  
Distribution Function ◽  
Linear Polymers ◽  
Vector Distribution ◽  
End To End

scholarly journals Dilute Solution Structure of Bottlebrush Polymers

2019 ◽  
Author(s):  
Sarit Dutta ◽  
Matthew A. Wade ◽  
Dylan J. Walsh ◽  
Damien Guironnet ◽  
Simon A. Rogers ◽  
...  
Keyword(s):  
Brownian Dynamics ◽  
Solution Structure ◽  
Coarse Grained ◽  
Poly Lactic Acid ◽  
Linear Polymers ◽  
Molecular Architecture ◽  
Wide Range ◽  
Conformational Properties ◽  
Atomistic Structure ◽  
Insight Into

<div>Bottlebrush polymers are a class of macromolecules that has recently found use</div><div>in a wide variety of materials, ranging from lubricating brushes and</div><div>nanostructured coatings to elastomeric gels that exhibit structural color. These</div><div>polymers are characterized by dense branches extending from a central backbone,</div><div>and thus have properties distinct from linear polymers. It remains a challenge</div><div>to specifically understand conformational properties of these molecules, due to</div><div>the wide range of architectural parameters that can be present in a system, and</div><div>thus there is a need to accurately characterize and model these molecules. In</div><div>this paper, we use a combination of viscometry, light scattering, and computer</div><div>simulations to gain insight into the conformational properties of dilute</div><div>bottlebrush polymers. We focus on a series of model bottlebrushes consisting of</div><div>a poly(norbornene) (PNB) backbone with poly(lactic acid) (PLA) side chains. We</div><div>demonstrate that intrinsic viscosity and hydrodynamic radius are experimental</div><div>observations \emph{sensitive} to molecular architecture, exhibiting distinct</div><div>differences with different choices of branch and backbone lengths. Informed by</div><div>the atomistic structure of this PNB-PLA system, we rationalize a coarse-grained</div><div>simulation model that we evaluate using a combination of Brownian Dynamics and</div><div>Monte Carlo simulations. We show that this exhibits quantitative matching to</div><div>experimental results, enabling us to characterize the overall shape of the</div><div>bottlebrush via a number of metrics that can be extended to more general</div><div>bottlebrush architectures.</div>

Distribution function of the end‐to‐end vector for short polymer chains

1980 ◽  
Vol 72 (12) ◽  
pp. 6376-6381 ◽  
Author(s):  
Juan J. Freire ◽  
M. M. Rodrigo
Keyword(s):  
Distribution Function ◽  
Polymer Chains ◽  
End To End

Brownian dynamics simulations of linear polymers under shear flow

1999 ◽  
Vol 111 (2) ◽  
pp. 758-771 ◽  
Author(s):  
Alexey V. Lyulin ◽  
David B. Adolf ◽  
Geoffrey R. Davies
Keyword(s):  
Shear Flow ◽  
Brownian Dynamics ◽  
Linear Polymers ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations

Modeling the Abrupt Buckling Transition in dsDNA During Supercoiling

2016 ◽  
Vol 11 (6) ◽  
Author(s):  
Ikenna D. Ivenso
Keyword(s):  
Brownian Dynamics ◽  
Dna Supercoiling ◽  
Transition Regime ◽  
Extended State ◽  
Wormlike Chain ◽  
End To End ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations

When deoxyribonucleic (DNA), held at a fixed tension, is subjected to torsional deformations, it responds by forming plectonemic supercoils accompanied by a reduction in its end-to-end extension. This transition from the extended state to the supercoiled state is marked by an abrupt buckling of the DNA accompanied by a rapid “hopping” of the DNA between the extended and supercoiled states. This transition is studied by means of Brownian dynamics simulations using a discrete wormlike-chain (dWLC) model of DNA. The simulations reveal, among other things, the distinct regimes that occur during DNA supercoiling and the probabilities of states within the buckling transition regime.

Sign in / Sign up

Export Citation Format

Share Document