308 citations · 1.6k across the 21 of their papers we have counts for
21 papers
Star Polymers Confined in a Nanoslit: A Simulation Test of Scaling and Self-Consistent Field Theories
J. Paturej, A. Milchev, S. A. Egorov +1
The free energy cost of confining a star polymer where flexible polymer chains containing monomeric units are tethered to a central unit in a slit with two parallel repulsi…
Langevin Dynamics simulations of a 2-dimensional colloidal crystal under confinement and shear
D. Wilms, P. Virnau, S. Sengupta +1
Langevin Dynamics simulations are used to study the effect of shear on a two-dimensional colloidal crystal confined by structured parallel walls. When walls are sheared very slowly…
Comparative classical and ab initio Molecular Dynamics study of molten and glassy germanium dioxide
Michael Hawlitzky, Juergen Horbach, Simona Ispas +2
A Molecular Dynamics (MD) study of static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modelled by the classic…
Colloid-polymer mixtures in random porous media: Finite size scaling and connected versus disconnected susceptibilities
R. L. C. Vink, K. Binder, H. Loewen
As a generic model for liquid-vapour type transitions in random porous media, the Asakura-Oosawa model for colloid-polymer mixtures is studied in a matrix of quenched spheres using…
Molecular Dynamics Computer Simulation of Crystal Growth and Melting in Al50Ni50
Ali Kerrache, Juergen Horbach, Kurt Binder
The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions…
Comparison of Dissipative Particle Dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems
C. Pastorino, T. Kreer, M. Mueller +1
In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric s…