In:
Journal of Physics: Condensed Matter, IOP Publishing, Vol. 33, No. 24 ( 2021-06-16), p. 244001-
Abstract:
We analyse the knotting behaviour of linear polymer melts in two types of soft-core models, namely dissipative-particle dynamics and hybrid-particle-field models, as well as their variants with slip-springs which are added to recover entangled polymer dynamics. The probability to form knots is found drastically higher in the hybrid-particle-field model compared to its parent hard-core molecular dynamics model. By comparing the knottedness in dissipative-particle dynamics and hybrid-particle-field models with and without slip-springs, we find the impact of slip-springs on the knotting properties to be negligible. As a dynamic property, we measure the characteristic time of knot formation and destruction, and find it to be (i) of the same order as single-monomer motion and (ii) independent of the chain length in all soft-core models. Knots are therefore formed and destroyed predominantly by the unphysical chain crossing. This work demonstrates that the addition of slip-springs does not alter the knotting behaviour, and it provides a general understanding of knotted structures in these two soft-core models of polymer melts.
Type of Medium:
Online Resource
ISSN:
0953-8984
,
1361-648X
DOI:
10.1088/1361-648X/abef25
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2021
detail.hit.zdb_id:
1472968-4
detail.hit.zdb_id:
228975-1
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