Equilibrium spherically curved two-dimensional Lennard-Jones systems
| Authors |
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|---|---|
| Publication date | 2005 |
| Journal | Journal of Chemical Physics |
| Volume | Issue number | 123 | 084105 |
| Pages (from-to) | 1-5 |
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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 configu- rations are traced as a function of the curvature radius R. Sharp jumps for tiny changes in R between trajectories with major differences in topo- logical 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. |
| Document type | Article |
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