SPeEDING UP the the study of Dipolar SYSTEMS gelation

MÁRTIN, DANIEL A; GRIGERA, TOMÁS S.; MARCONI, V.I.

Praga

Encuentro; 82 nd Prague meeting on macromolecules - 24 th Polymer Network Group meeting; 2018

We study the structure changes of a diluted dipolar system during gelation and cristalizationthrough Monte Carlo simulations in the NVT ensemble. In order tospeed up the dynamics, several approximations and acceleratedalgorithms are proposed and tested. Originally, it turns out that?Chain Move? algorithm is roughly one decade faster than the wellknown and typical Monte Carlo. We find regimes similar to ananti-parallel crystal, a gel, a short-chain-liquid, a ring-liquid anda gas. Such regimes are studied and characterized through positional,orientational and thermodynamical observables.p { text-indent: 0.2in; margin-top: 0.08in; margin-bottom: 0in; direction: ltr; color: rgb(0, 0, 0); line-height: 150%; text-align: justify; }p.western { font-family: "Times New Roman", serif; font-size: 12pt; font-style: italic; font-weight: bold; }p.cjk { font-family: "Liberation Serif"; font-size: 12pt; font-style: italic; font-weight: bold; }p.ctl { font-family: "Liberation Serif"; font-size: 12pt; }a:link { color: rgb(0, 0, 255); }a.cjk:link { font-family: "Times New Roman"; }