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Evidence for the time‐temperature superposition principle from Monte‐Carlo simulations of the glass transition in two‐dimensional polymer melts
Author(s) -
Wittmann HansPeter,
Kremer Kurt,
Binder Kurt
Publication year - 1992
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1992.040010501
Subject(s) - radius of gyration , superposition principle , glass transition , monte carlo method , statistical physics , autocorrelation , time–temperature superposition , thermodynamics , polymer , work (physics) , kinetic monte carlo , molecular dynamics , square lattice , relaxation (psychology) , materials science , chemistry , physics , computational chemistry , mathematics , quantum mechanics , psychology , social psychology , statistics , ising model , composite material
The bond fluctuation model on a square lattice with a bond‐length dependent potential exhibits in simulations of slow cooling a kinetic glass transition where the system falls out of equilibrium. Extending previous work, the relaxation functions of gyration radius and end‐to‐end distance, and the bond autocorrelation function of the polymers are presented and related to the time‐dependent displacements of inner monomeric units and center of gravity of the whole chains, respectively. Over a wide temperature range the data can be collapsed on master curves satisfying the time‐temperature superposition principle for Rouse dynamics.