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Equilibrium spherically curved 2D Lennard-Jones systems

J. M. Voogd·P. M. A. Sloot·R. van Dantzig
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Abstract

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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J. M. Voogd, P. M. A. Sloot, R. van Dantzig. 2005-07-06. Equilibrium spherically curved 2D Lennard-Jones systems. https://doi.org/10.1063/1.2007707

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