6533b823fe1ef96bd127f4a7
RESEARCH PRODUCT
Competition between liquid-crystalline ordering and glassy freezing in melts of semiflexible polymers: A monte carlo simulation
Kurt BinderWolfgang PaulH. Webersubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesPhase transitionPolymers and PlasticsChemistryLiquid crystallineOrganic ChemistryMonte Carlo methodThermodynamicsStiffnessPolymerCondensed Matter PhysicsCondensed Matter::Soft Condensed Mattersymbols.namesakeSimulation algorithmMaterials Chemistrymedicinesymbolsmedicine.symptomHamiltonian (quantum mechanics)Glass transitiondescription
We present results of a Monte Carlo simulation of dense melts of semiflexible polymers using the bond-fluctuation model. The chosen Hamiltonian increases the chain stiffness upon cooling which in turn leads to glass-transition like freezing of the polymer mobility. Employing an efficient simulation algorithm, which is able to equilibrate the simulated systems to lower temperature than the Rouse-type algorithm showing the glassy freezing, we are able to observe an isotropic-nematic phase transition. This transition lies above the glass transition temperature one would extrapolate from the observed freezing behavior.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-11-01 | Macromolecular Symposia |