期刊
PHYSICAL REVIEW LETTERS
卷 93, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.93.065502
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The amorphization mechanism of icosahedral Pt nanoclusters is investigated by a combination of molecular dynamics simulations and density functional calculations. A general mechanism for amorphization, involving rosettelike structural transformations at fivefold vertices, is proposed. In the rosette, a fivefold vertex is transformed into a hexagonal ring. We show that, for icosahedral Pt nanoclusters, this transformation is associated with an energy gain, so that their most favorable structures have a low symmetry even at icosahedral magic numbers, and that the same mechanism underlies the formation of amorphous structures in gold.
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