Anders Irbäck
Professor
Monte Carlo study of the phase structure of compact polymer chains
Författare
Summary, in English
We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not unexpectedly, found to exhibit a pronounced peak well below the collapse temperature, signalling a possible low-temperature phase transition. The system size dependence at this maximum is investigated both with and without the local interactions, using chains with up to 50 monomers. The size dependence is found to be weak. The specific heat itself seems not to diverge. The homopolymer results are compared with those for two nonuniform sequences. Our calculations are performed using the methods of simulated and parallel tempering. The performances of these algorithms are discussed, based on careful tests for a small system.
Avdelning/ar
- Beräkningsbiologi och biologisk fysik - Genomgår omorganisation
Publiceringsår
1999-06-22
Språk
Engelska
Sidor
12256-12262
Publikation/Tidskrift/Serie
Journal of Chemical Physics
Volym
110
Issue
24
Dokumenttyp
Artikel i tidskrift
Förlag
American Institute of Physics (AIP)
Status
Published
ISBN/ISSN/Övrigt
- ISSN: 0021-9606