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Structural and dynamical properties of sodium silicate melts: An investigation by molecular dynamics computer simulation
Jurgen Horbach, Walter Kob, Kurt Binder
We present the results of large scale computer simulations in which we investigate the static and dynamic properties of sodium disilicate and sodium trisilicate melts. We study in…
High Frequency Dynamics of Amorphous Silica
Jurgen Horbach, Walter Kob, Kurt Binder
We present the results of extensive molecular dynamics computer simulations in which the high frequency dynamics of silica, nu>0.5 THz, is investigated in the viscous liquid state…
Monte Carlo investigations of phase transitions: status and perspectives
Kurt Binder, Erik Luijten, Marcus Müller +2
Using the concept of finite-size scaling, Monte Carlo calculations of various models have become a very useful tool for the study of critical phenomena, with the system linear dime…
Symmetric Diblock Copolymers in Thin Films (I): Phase stability in Self-Consistent Field Calculations and Monte Carlo Simulations
Thorsten Geisinger, Marcus Mueller, Kurt Binder
We investigate the phase behavior of symmetric AB diblock copolymers confined into a thin film. The film boundaries are parallel, impenetrable and attract the A component of the di…
Symmetric Diblock Copolymers in Thin Films (II): Comparison of Profiles between Self-Consistent Field Calculations and Monte Carlo Simulations
Thorsten Geisinger, Marcus Mueller, Kurt Binder
The structure of lamellar phases of symmetric diblock copolymers in a thin film is investigated. We quantitatively compare the composition profiles and profiles of individual…
Molecular-Dynamics Simulation of a Glassy Polymer Melt: Rouse Model and Cage Effect
C. Bennemann, J. Baschnagel, W. Paul +1
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the g…