Simulations of Single Polymer Chains in the Dense Limit

TL;DR

This paper introduces a recursive simulation method for long polymer chains in finite volumes, enabling analysis of chain behavior and scaling laws in both 2D and 3D, with implications for complex optimization problems.

Contribution

The paper presents a novel recursive implementation of the enrichment method that significantly extends the accessible chain lengths in simulations of dense polymer systems.

Findings

Successful simulation of chains up to N=300,000 in 3D

Verification of most scaling laws in dense polymer regimes

Identification of similarities with complex optimization problems

Abstract

We present simulation results for single a-thermal chain polymers in finite volumes. For this we use a recently proposed recursive implementation of the enrichment method. In 3 dimensions it allows the simulation of extremely long chains (up to $N=300,000$). It is much less efficient for $d=2$, but we can also there extend considerably the previously accessible range of chain lengths and densities. We verify all tested scaling laws except one, and we point out similarities with complex optimization problems.