6533b81ffe1ef96bd1277977

RESEARCH PRODUCT

Phase transitions in a single polymer chain: A micro-canonical analysis of Wang–Landau simulations

Kurt BinderF. RampfWolfgang PaulT. Strauch

subject

chemistry.chemical_classificationPhysicsPhase transitionMonte Carlo methodGeneral Physics and AstronomyPolymerSingle chainCanonical analysischemistryHardware and ArchitectureLattice (order)Density of statesStatistical physicsPhase diagram

description

Abstract We present simulation results for the phase behavior of a single chain for a flexible lattice polymer model using the Wang–Landau sampling idea. Using the micro-canonical density of states obtained with this method we will discuss the ability of an analysis in the micro-canonical ensemble to locate the coil-globule (continuous) and liquid–solid (first-order) transitions found for this problem using a canonical analysis.

yearjournalcountryeditionlanguage
2008-07-01Computer Physics Communications
https://doi.org/10.1016/j.cpc.2008.01.005