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A finite excluded volume bond-fluctuation model: Static properties of dense polymer melts revisited
J. P. Wittmer, A. Cavallo, T. Kreer +2
The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse-grained polymer chains where each monomer occupies exclusively a certain number…
Perimeter Length and Form Factor of Two-Dimensional Polymer Melts
H. Meyer, T. Kreer, M. Aichele +4
Self-avoiding polymers in two-dimensional () melts are known to adopt compact configurations of typical size with being the chain length. Using molecul…
Static Rouse Modes and Related Quantities: Corrections to Chain Ideality in Polymer Melts
H. Meyer, J. P. Wittmer, T. Kreer +4
Following the Flory ideality hypothesis intrachain and interchain excluded volume interactions are supposed to compensate each other in dense polymer systems. Multi-chain effects s…
Comparison of Dissipative Particle Dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems
C. Pastorino, T. Kreer, M. Mueller +1
In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric s…
Are polymer melts "ideal"?
J. P. Wittmer, P. Beckrich, F. Crevel +4
It is commonly accepted that in concentrated solutions or melts high-molecular weight polymers display random-walk conformational properties without long-range correlations between…
On the Dynamics and Disentanglement in Thin and Two-Dimensional Polymer Films
H. Meyer, T. Kreer, A. Cavallo +2
We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melts and thin polymer films in a slit geometry of thickness of the order of the rad…