dorsal/arxiv
View SchemaCluster growing process and a sequence of magic numbers
| Authors | A. Koshelev, A. Shutovich, Il. A. Solov'yov, A. V. Solov'yov, W. Greiner |
|---|---|
| Categories | |
| ArXiv ID | physics/0207084 |
| URL | https://arxiv.org/abs/physics/0207084 |
Abstract
We present a new theoretical framework for modelling the cluster growing process. Starting from the initial tetrahedral cluster configuration, adding new atoms to the system and absorbing its energy at each step, we find cluster growing paths up to the cluster sizes of more than 100 atoms. We demonstrate that in this way all known global minimum structures of the Lennard-Jonnes (LJ) clusters can be found. Our method provides an efficient tool for the calculation and analysis of atomic cluster structure. With its use we justify the magic numbers sequence for the clusters of noble gases atoms and compare it with experimental observations. We report the striking correspondence of the peaks in the dependence on cluster size of the second derivative of the binding energy per atom calculated for the chain of LJ-clusters based on the icosahedral symmetry with the peaks in the abundance mass spectra experimentally measured for the clusters of noble gases atoms. Our method serves an efficient alternative to the global optimization techniques based on the Monte-Carlo simulations and it can be applied for the solution of a broad variety of problems in which atomic cluster structure is important.
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"abstract": "We present a new theoretical framework for modelling the cluster growing\nprocess. Starting from the initial tetrahedral cluster configuration, adding\nnew atoms to the system and absorbing its energy at each step, we find cluster\ngrowing paths up to the cluster sizes of more than 100 atoms. We demonstrate\nthat in this way all known global minimum structures of the Lennard-Jonnes (LJ)\nclusters can be found. Our method provides an efficient tool for the\ncalculation and analysis of atomic cluster structure. With its use we justify\nthe magic numbers sequence for the clusters of noble gases atoms and compare it\nwith experimental observations. We report the striking correspondence of the\npeaks in the dependence on cluster size of the second derivative of the binding\nenergy per atom calculated for the chain of LJ-clusters based on the\nicosahedral symmetry with the peaks in the abundance mass spectra\nexperimentally measured for the clusters of noble gases atoms. Our method\nserves an efficient alternative to the global optimization techniques based on\nthe Monte-Carlo simulations and it can be applied for the solution of a broad\nvariety of problems in which atomic cluster structure is important.",
"arxiv_id": "physics/0207084",
"authors": [
"A. Koshelev",
"A. Shutovich",
"Il. A. Solov\u0027yov",
"A. V. Solov\u0027yov",
"W. Greiner"
],
"categories": [
"physics.atm-clus"
],
"title": "Cluster growing process and a sequence of magic numbers",
"url": "https://arxiv.org/abs/physics/0207084"
},
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