Melting suspending of Ag nano-particles monitored by molecular dynamics simulation

X Wang and XL Wang and M Liu and YP Wang, CHEMICAL PHYSICS, 527, UNSP 110459 (2019).

DOI: 10.1016/j.chemphys.2019.110459

Melting suspending, defined as the incomplete melting of the nano- particles (NPs), was found by the molecular dynamics (MD) simulation with the embedded atom method (EAM) force field. The suspending of isolated Ag NPs occurs while the melting layer reached a given thickness around the solid core below a critical temperature, and the thickness of liquid layer is mainly dependent on the holding temperature rather than the holding time. Above the critical temperature, complete melting of the whole NPs occurs spontaneously at temperatures below the thermodynamic equilibrium melting point (T-em). It also should be noted that the critical temperature is size dependent and is independent from the atom configuration of the surface particles.

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