A simple diatomic potential that prevents crystallization in supercooled liquids simulations

•A simple model that does not crystallize when supercooled even with very long runs.•The model displays the usual features of supercooled liquids.•A simple dumbbell molecule constituted with two Lennard-Jones atoms.•The model is versatile.•Dynamic heterogeneities spontaneously increase when the temperature drops.

We study a simple and versatile diatomic potential function coined to prevent crystallization in supercooled liquids. We show that the corresponding liquid does not crystallize even with very long simulation runs at the lowest temperature that we can access with ergodic simulations. The medium displays the usual features of supercooled materials and a non-Arrhenius dependence of the diffusion coefficient and α relaxation time with temperature. We also observe the breakdown of the Stokes-Einstein relation at low temperatures.

Graphical abstractDownload full-size image