6533b7d5fe1ef96bd1263bd6

RESEARCH PRODUCT

Monte Carlo simulation of the glass transition in polymer melts: An application of MCT

Jörg Baschnagel

subject

chemistry.chemical_classificationMaterials scienceScale (ratio)Applied MathematicsMonte Carlo methodTime evolutionGeneral Physics and AstronomyThermodynamicsTransportationStatistical and Nonlinear PhysicsPolymerCondensed Matter::Soft Condensed MatterchemistryTime windowsDynamic Monte Carlo methodStatistical physicsGlass transitionSupercoolingMathematical Physics

description

Abstract This paper reviews the results of a large scale Monte Carlo simulation for the dynamics of a supercooled polymer melt. The dynamics of the melt was studied by means of the time evolution of the incoherent intermediate scattering function φs q(t), which was monitored over seven decades in time. In an intermediate time window it is possible to describe the decay of φs q(t) quantitatively in the framework of mode-coupling theory, provided the extended version of the theory is used.

https://doi.org/10.1080/00411459508203952