1.3k citations · 15.4k across the 167 of their papers we have counts for
7 papers · 1 filter
Dynamics of a Rigid Rod in a Glassy Medium
Angel J. Moreno, Walter Kob
We present simulations of the motion of a single rigid rod in a disordered static 2d-array of disk-like obstacles. The rotational, , and center-of-mass translational, $D…
The relaxation dynamics of a supercooled liquid confined by rough walls
Peter Scheidler, Walter Kob, Kurt Binder
We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amo…
Amorphous silica at surfaces and interfaces: simulation studies
Juergen Horbach, Torsten Stuehn, Claus Mischler +2
The structure of surfaces and interfaces of silica (SiO2) is investigated by large scale molecular dynamics computer simulations. In the case of a free silica surface, the results…
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…
Vibrational properties of a sodium tetrasilicate glass: Ab initio versus Classical Force Fields
S. Ispas, N. Zotov, S. De Wispelaere +1
We have determined the vibrational properties of a sodium tetrasilicate (NaSiO) glass model generated by molecular dynamics simulations. The study has been carrie…
Structure and diffusion in amorphous aluminium silicate: A molecular dynamics computer simulation
Anke Winkler, Jurgen Horbach, Walter Kob +1
The amorphous aluminium silicate (Al2O3)2(SiO2) [AS2] is investigated by means of large scale molecular dynamics computer simulations. We consider fully equilibrated melts in the t…