We present the results of molecular dynamics simulations of very long model polymer chains analyzed by various experimentally relevant techniques. The segment motion of the chains is found to be in very good agreement with the reptation model. For comparison with experimental results we also calculated the plateau modulus $G_N^0$ via stress-strain simulations. The predictions of the entanglement length Ne from $G_N^0$ and from the mean-square dispacement of the chain segments disagree by a factor of about 2.3(2), indicating an error in the prefactor in the standard formula for $G_N^0$ which is important for the analysis of many simulation results as well as the interpretation of experimental neutron spin echo (NSE) and NMR measurements. We ...
ABSTRACT: Discontinuous molecular dynamics simulations are performed on systems containing 32 hard c...
The close comparison of linear rheology data of some long-chain polymer melts with the reptation mod...
We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in...
In a recent letter Pütz, Kremer and Grest claim that finite-chain-length effects have significant in...
In a recent letter Putz, Kremer and Greet claim that finite-chain-length effects have significant; i...
The chain retraction hypothesis of the tube model for nonlinear polymer rheology has been challenged...
It is well-known that the packing model (Fetters and co-workers) shows the relationship between micr...
We combine molecular dynamics simulations and topological analyses (TA) to validate and refine a rec...
We make a critical examination of how the entanglement molecular mass Me is determined from various ...
In entangled polymer melts, contour length fluctuations are supposed to lift the chain confinement s...
It is well-known that the transition between unentangled to entangled dynamics occurs at a critical ...
We present extensive molecular dynamics simulations of the dynamics of diluted long probe chains ent...
ABSTRACT: We use molecular dynamics simulations of the Kremer− Grest (KG) bead−spring model of polym...
We present molecular dynamics (MD) and slip-springs model simulations of the chain segmental dynamic...
We revisit the nonuniversal aspect of polymer dynamics by considering both new and existing data on ...
ABSTRACT: Discontinuous molecular dynamics simulations are performed on systems containing 32 hard c...
The close comparison of linear rheology data of some long-chain polymer melts with the reptation mod...
We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in...
In a recent letter Pütz, Kremer and Grest claim that finite-chain-length effects have significant in...
In a recent letter Putz, Kremer and Greet claim that finite-chain-length effects have significant; i...
The chain retraction hypothesis of the tube model for nonlinear polymer rheology has been challenged...
It is well-known that the packing model (Fetters and co-workers) shows the relationship between micr...
We combine molecular dynamics simulations and topological analyses (TA) to validate and refine a rec...
We make a critical examination of how the entanglement molecular mass Me is determined from various ...
In entangled polymer melts, contour length fluctuations are supposed to lift the chain confinement s...
It is well-known that the transition between unentangled to entangled dynamics occurs at a critical ...
We present extensive molecular dynamics simulations of the dynamics of diluted long probe chains ent...
ABSTRACT: We use molecular dynamics simulations of the Kremer− Grest (KG) bead−spring model of polym...
We present molecular dynamics (MD) and slip-springs model simulations of the chain segmental dynamic...
We revisit the nonuniversal aspect of polymer dynamics by considering both new and existing data on ...
ABSTRACT: Discontinuous molecular dynamics simulations are performed on systems containing 32 hard c...
The close comparison of linear rheology data of some long-chain polymer melts with the reptation mod...
We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in...