6533b7d4fe1ef96bd1261c93
RESEARCH PRODUCT
Monte Carlo simulations of the polymer glass transition: From the test of theories to material modeling
Kurt BinderV. TriesWolfgang PaulMathias WolfgardtJörg Baschnagelsubject
chemistry.chemical_classificationQuantitative Biology::BiomoleculesPolymers and PlasticsOrganic ChemistryMonte Carlo methodThermodynamicsPolymerCondensed Matter PhysicsCondensed Matter::Soft Condensed Mattersymbols.namesakeEntropy densitychemistryMaterials ChemistrysymbolsHamiltonian (quantum mechanics)Glass transitionPolymer meltdescription
We present results on the glass transition in polymer melts using Monte Carlo simulations of the bond fluctuation lattice model. There are two questions we address in this work. What is the temperature dependence of the entropy density in such a model polymer melt and how well is it described by theories like the Gibbs-DiMarzio theory of the glass transition? And to what degree is one able to map the Hamiltonian of such an abstract lattice model onto a specific polymer material and use it to model the large scale and long time properties of a realistic polymer melt?
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1997-08-01 | Macromolecular Symposia |