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The Dynamics of Non-Crystalline Silica: Insight from Molecular Dynamics Computer Simulations
Walter Kob, Jurgen Horbach, Kurt Binder
Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature depe…
Interfacial profiles between coexisting phases in thin films: Cahn Hilliard treatment versus capillary waves
K. Binder, M. Mueller, F. Schmid +1
We consider an interface between two demixed A and B phases, confined in a thin film between two antisymmetric walls, one of which prefers A and the other B. Above the wetting tran…
Investigating the influence of different thermodynamic paths on the structural relaxation in a glass forming polymer melt
Christoph Bennemann, Wolfgang Paul, J"org Baschnagel +1
We present results from Molecular Dynamics simulations of the thermal glass transition in a dense polymer melt. In previous work we compared the simulation data with the idealized…
Monte Carlo and Molecular Dynamics Simulation of the Glass Transition of Polymers
K. Binder, J. Baschnagel, C. Bennemann +1
Two coarse-grained models for polymer chains in dense glass-forming polymer melts are studied by computer simulation: the bond-fluctuation model on a simple cubic lattice, where a…
Effect of long range forces on the interfacial profiles in thin binary polymer films
Andreas Werner, Marcus Mueller, Friederike Schmid +1
We study the effect of surface fields on the interfacial properties of a binary polymer melt confined between two parallel walls. Each wall attracts a different component of the bl…
The specific heat of amorphous silica within the harmonic approximation
Jurgen Horbach, Walter Kob, Kurt Binder
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to…