Size-Dependent Melting Properties of Free Silver Nanoclusters

概要

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The melting properties of free nanoclusters of silver atoms interacting through an analytic embedded-atom method type potential are studied by using molecular dynamics simulations. The particle-size-dependent depression of the melting temperature Tm of Ag258–3871 can be explained by the surface premelting models (SPM). The melting process of Ag13–178 changes significantly compare with that of Ag258–3871, in which Tm deviate from the values predicted from the SPM and the latent heat of fusion Δuls enhance greatly. For the first time, the size-dependent variations in Tm and Δuls for free neutral nanoclusters with $r\leqslant r_{\text{c}}$ (rc is critical radius) is presented and a new intermediate melting mechanism is identified. In addition, a reentrant morphology transition in Ag147, quasimelten phases of Ag13–55, and icosahedral precursors to the melting of Ag13–309 are also recovered.
Physical Society of Japanの論文
2001-10-15