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Updated: Nov 12, 2025

Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
Role of the attractive forces in a supercooled liquid
1DNRF Center "Glass and Time," IMFUFA, Department of Sciences, Roskilde University, Postbox 260, DK-4000 Roskilde, Denmark.
Abstract:
Molecular dynamics simulations of crystallization in a supercooled liquid of Lennard-Jones particles with different range of attractions shows that the inclusion of the attractive forces from the first, second, and third coordination shell increases the trend to crystallize systematic. The bond order Q_{6} in the supercooled liquid is heterogeneously distributed with clusters of particles with relative high bond order for a supercooled liquid, and a systematic increase of the extent of heterogeneity with increasing range of attractions. The onset of crystallization appears in such a cluster, which together explains the attractive forces influence on crystallization. The mean-square displacement and self-diffusion constant exhibit the same dependence on the range of attractions in the dynamics and shows, that the attractive forces and the range of the forces plays an important role for bond ordering, diffusion, and crystallization.
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