209 citations · 373 across the 6 of their papers we have counts for
6 papers
A slow process in confined polymer melts: layer exchange dynamics at a polymer solid interface
L. Yelash, P. Virnau, K. Binder +1
Employing Molecular Dynamics simulations of a chemically realistic model of 1,4-polybutadiene between graphite walls we show that the mass exchange between layers close to the wall…
Molecular Dynamics Simulations
Kurt Binder, Jurgen Horbach, Walter Kob +2
A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulat…
Molecular-Dynamics Simulation of a Glassy Polymer Melt: Incoherent Scattering Function
C. Bennemann, J. Baschnagel, W. Paul
We present simulation results for a model polymer melt, consisting of short, nonentangled chains, in the supercooled state. The analysis focuses on the monomer dynamics, which is m…
Orthorhombic Phase of Crystalline Polyethylene: A Constant Pressure Path Integral Monte Carlo Study
R. Martonak, W. Paul, K. Binder
In this paper we present a Path Integral Monte Carlo (PIMC) simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained…
Small-Angle Excess Scattering: Glassy Freezing or Local Orientational Ordering?
H. Weber, W. Paul, W. Kob +1
We present Monte Carlo simulations of a dense polymer melt which shows glass-transition-like slowing-down upon cooling, as well as a build up of nematic order. At small wave vector…
Orthorhombic Phase of Crystalline Polyethylene: A Monte Carlo Study
R. Martonak, W. Paul, K. Binder
In this paper we present a classical Monte Carlo simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained bond length…