Effect of three-body interactions on the early stages of atomic cluster growth |
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| Affiliation: | 1. INFAP, CONICET, Departamento de Física, Facultad de Ciencias Físico Matemáticas y Naturales, Universidad Nacional de San Luis, Ejército de los Andes 950, D5700HHW, San Luis, Argentina;2. Comisión Nacional de Energía Atómica and Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) - Universidad Nacional de Cuyo, Instituto Balseiro, Av. Ezequiel Bustillo 9500, Bariloche, 8400, Argentina;1. School of Mechanical and Power Engineering, Zhengzhou University, Henan 450001, China;2. Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, Helsinki 00014, Finland;3. Department of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55455, USA |
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| Abstract: | The sequence of conformations a cluster assumes as it grows from a trimer into a thirteen-atom aggregrate under a given model potential has been studied. The model potential proposed is a construction composed of a van der Waals pairwise term and a three-body term composed of the triple dipole contribution and the exchange overlap contribution. A parametric study of the thermodynamically preferred structures is given. After reaching a boundary between regions in the parameter space, equilibrium mixtures of isomers with different packings are obtained. The normal frequency spectrum is given for clusters up to thirteen atoms. |
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