Dynamics of Polymer Melts above the Glass Transition:  Monte Carlo Studies of the Bond Fluctuation Model

1997 ◽  
Vol 30 (10) ◽  
pp. 3075-3085 ◽  
Author(s):  
K. Okun ◽  
M. Wolfgardt ◽  
J. Baschnagel ◽  
K. Binder
Keyword(s):  
Monte Carlo ◽  
Glass Transition ◽  
Polymer Melts ◽  
Monte Carlo Studies ◽  
Bond Fluctuation ◽  
Fluctuation Model

scholarly journals Characterization of Monte Carlo Dynamic/Kinetic Properties of Local Structure in Bond Fluctuation Model of Polymer System

Materials ◽  
2021 ◽  
Vol 14 (17) ◽  
pp. 4962
Author(s):  
Wojciech Radosz ◽  
Grzegorz Pawlik ◽  
Antoni C. Mituś
Keyword(s):  
Monte Carlo ◽  
Glass Transition ◽  
Polymer System ◽  
Time Interval ◽  
Kinetic Properties ◽  
Physical Picture ◽  
Starting Point ◽  
Bond Fluctuation ◽  
Fluctuation Model

We report the results of the characterization of local Monte Carlo (MC) dynamics of an equilibrium bond fluctuation model polymer matrix (BFM), in time interval typical for MC simulations of non-linear optical phenomena in host-guest systems. The study contributes to the physical picture of the dynamical aspects of quasi-binary mosaic states characterized previously in the static regime. The polymer dynamics was studied at three temperatures (below, above and close to the glass transition), using time-dependent generalization of the static parameters which characterize local free volume and local mobility of the matrix. Those parameters play the central role in the kinetic MC model of host-guest systems. The analysis was done in terms of the probability distributions of instantaneous and time-averaged local parameters. The main result is the characterization of time scales characteristic of various local structural processes. Slowing down effects close to the glass transition are clearly marked. The approach yields an elegant geometric criterion for the glass transition temperature. A simplified quantitative physical picture of the dynamics of guest molecules dispersed in BFM matrix at low temperatures offers a starting point for stochastic modeling of host-guest systems.

Statics and Dynamics of Bidisperse Polymer Melts:  A Monte Carlo Study of the Bond-Fluctuation Model

1998 ◽  
Vol 31 (12) ◽  
pp. 3856-3867 ◽  
Author(s):  
J. Baschnagel ◽  
W. Paul ◽  
V. Tries ◽  
K. Binder
Keyword(s):  
Monte Carlo ◽  
Polymer Melts ◽  
Monte Carlo Study ◽  
Statics And Dynamics ◽  
Bond Fluctuation ◽  
Fluctuation Model

Monte Carlo studies of the interface between two polymer melts

1990 ◽  
Vol 23 (1) ◽  
pp. 224-228 ◽  
Author(s):  
Johannes Reiter ◽  
Gerhard Zifferer ◽  
Oskar Friedrich Olaj
Keyword(s):  
Monte Carlo ◽  
Polymer Melts ◽  
Monte Carlo Studies

A Monte Carlo study of the glass transition in three-dimensional polymer melts

1996 ◽  
Vol 201 (3) ◽  
pp. 199-210 ◽  
Author(s):  
M. Wittkop ◽  
Th. Hölzl ◽  
S. Kreitmeier ◽  
D. Göritz
Keyword(s):  
Monte Carlo ◽  
Glass Transition ◽  
Polymer Melts ◽  
Three Dimensional ◽  
Monte Carlo Study
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