Speeding up the study of Dipolar System Gelation

D.A. MARTIN; T.S. GRIGERA; V.I. MARCONI

Praga

Encuentro; 82º Prague Meeting on Macromolecules, 24º Polymer Network Group Meeting'; 2018

We study the structure changes  of a diluted dipolar system during gelation and cristalization through Monte Carlo simulations in the NVT ensemble. In order to speed up the dynamics, several approximations and accelerated algorithms are proposed and tested. Originally, it turns out that ?Chain Move? algorithm is roughly one decade faster than the well known and typical Monte Carlo. We find regimes similar to an anti-parallel crystal, a gel, a short-chain-liquid, a ring-liquid and a gas. Such regimes are studied and characterized through positional, orientational and thermodynamical observables.