Size-dependent melting properties of free silver nanoclusters

2019-11-19 15:31:10

heat size melting dependent nanoclusters

责任者: Shijin Zhao;Shaoqing Wang;Hengqiang Ye 单位: Inst. of Metal Res., Acad. Sinica, Shenyang, China 来源出处: Journal of the Physical Society of Japan(J. Phys. Soc. Jpn. (Japan)),2001/10/,70(10):2953-7 摘要: 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 is enhance greatly. For the first time, the size-dependent variations in Tm and Δuls for free neutral nanoclusters with r⩽rc (rc is critical radius) is presented and a new intermediate melting mechanism is identified. In addition, a reentrant morphology transition in Ag147, quasimolten phases of Ag13-55, and icosahedral precursors to the melting of Ag13-309 are also recovered 关键词: heat of fusion;latent heat;melting;melting point;metal clusters;molecular dynamics method;nanostructured materials;silver;surface phase transformations;size-dependent melting properties;free nanoclusters;analytic embedded-atom method type potential;molecular dynamics simulations;particle-size-dependent depression;melting temperature;surface premelting models;MDM;Agn;latent heat of fusion;size-dependent vaxiations;intermediate melting mechanism;reentrant morphology transition;quasimolten phases;icosahedral precursors;Ag