Equilibrium spherically curved 2D Lennard-Jones systems

Details Equilibrium spherically curved 2D Lennard-Jones systems Equilibrium spherically curved 2D Lennard-Jones systems

2005-07-06

arxiv.org/abs/physics/0507052v1

Physics

Atomic and Molecular Clusters

10 pages, 2 figures, to be published in Journal of Chemical Physics

Scientific paper

10.1063/1.2007707

To learn about basic aspects of nano-scale spherical molecular shells during their formation, spherically curved two-dimensional N-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero-temperature. For many N-values (N<800) equilibrium configurations are traced as a function of the curvature radius R. Sharp jumps for tiny changes in R between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case, N=25, equilibrium configurations fall on smooth trajectories in state space which can be traced in the E-R plane. The trajectories show-up with local energy minima, from which growth in N at steady curvature can develop.

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