308 citations · 1.6k across the 21 of their papers we have counts for
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The importance of intermediate range order in silicates: molecular dynamics simulation studies
J. Horbach, A. Winkler, W. Kob +1
We present the results of large scale computer simulations in which we investigate the structural and dynamic properties of silicate melts with the compositions (Na_2O)2(SiO_2) and…
Equation of state and critical behavior of polymer models: A quantitative comparison between Wertheim's thermodynamic perturbation theory and computer simulations
L. González MacDowell, M. Mueller, C. Vega +1
We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Re…
Non-monotonous crossover between capillary condensation and interface localisation/delocalisation transition in binary polymer blends
M. Mueller, K. Binder, E. V. Albano
Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via…
Elastic moduli, dislocation core energy and melting of hard disks in two dimensions
S. Sengupta, P. Nielaba, K. Binder
Elastic moduli and dislocation core energy of the triangular solid of hard disks of diameter are obtained in the limit of vanishing dislocation- antidislocation pair density, f…
Defect fugacity, Spinwave Stiffness and T_c of the 2-d Planar Rotor Model
S. Sengupta, P. Nielaba, K. Binder
We obtain precise values for the fugacities of vortices in the 2-d planar rotor model from Monte Carlo simulations in the sector with {\em no} vortices. The bare spinwave stiffness…
Cooling Rate Dependence and Dynamic Heterogeneity Below the Glass Transition in a Lennard-Jones Glass
K. Vollmayr-Lee, W. Kob, K. Binder +1
We investigate a binary Lennard-Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rate gamma. By varying gamma…