Amorphization Mechanism of Icosahedral Metal Nanoclusters
作者： E. Aprà , F. Baletto , R. Ferrando , A. Fortunelli
DOI: 10.1103/PHYSREVLETT.93.065502
关键词: Metal 、 Magic number (programming) 、 Icosahedral symmetry 、 Vertex (geometry) 、 Molecular dynamics 、 Nanoclusters 、 Chemical physics 、 Amorphous solid 、 Platinum 、 Materials science
摘要: The amorphization mechanism of icosahedral Pt nanoclusters is investigated by a combination molecular dynamics simulations and density functional calculations. A general for amorphization, involving rosettelike structural transformations at fivefold vertices, proposed. In the rosette, vertex transformed into hexagonal ring. We show that, nanoclusters, this transformation associated with an energy gain, so that their most favorable structures have low symmetry even magic numbers, same underlies formation amorphous in gold.
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