6533b839fe1ef96bd12a5a03

RESEARCH PRODUCT

Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation

A. Yu GrosbergWolfgang PaulVictor A. IvanovM. R. StukanKurt Binder

subject

PhysicsQuantum Monte CarloMonte Carlo methodGeneral Physics and AstronomyMarkov chain Monte CarloHybrid Monte Carlosymbols.namesakeDynamic Monte Carlo methodsymbolsKinetic Monte CarloParallel temperingStatistical physicsPhysical and Theoretical ChemistryMonte Carlo molecular modeling

description

We present a Monte Carlo computer simulation and theoretical results for the dependence of the state diagram of a single semiflexible chain on the chain length. The calculated transition lines between different structures in the state diagrams for both studied chain lengths N=40 and N=80 can be described by theoretical predictions which include chain length dependence explicitly. The stability criteria of different structures are discussed. The theoretically predicted exponent in the dependence of the toroid size on the chain length is compatible with computer simulation results.

yearjournalcountryeditionlanguage
2003-02-15The Journal of Chemical Physics
https://doi.org/10.1063/1.1536620