A simple diatomic potential that prevents crystallization in supercooled liquids simulations

Abstract

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 alpha relaxation time with temperature. We also observe the breakdown of the Stokes-Einstein relation at low temperatures.

arXiv comment5 pages

References in corpus (12)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Scaling behavior in the $\beta$-relaxation regime of a supercooled Lennard-Jones mixture
• The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water
• Heterogeneous Diffusion in Highly Supercooled Liquids
• Self-Assembly of Monatomic Complex Crystals and Quasicrystals with a Double-Well Interaction Potential
• Static point-to-set correlations in glass-forming liquids
• Probing a liquid to glass transition in equilibrium
• The favoured cluster structures of model glass formers
• Intermittent dynamics and logarithmic domain growth during the spinodal decomposition of a glass-forming liquid
• Test of mode coupling theory for a supercooled liquid of diatomic molecules. II. q-dependent orientational correlators
• Dynamics in a supercooled liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations
• Crystal nucleation of colloidal hard dumbbells

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• Dynamic phase transition induced by active molecules simulating a facilitation mechanism in a supercooled liquid
• How do packing defects modify the cooperative motions in supercooled liquids ?
• A facilitation-induced fluidization transition in supercooled water triggered by a few active molecules
• Simulation of a flat folding nano-swimmer confined in a nanopore