Size and temperature consideration in the liquid layer growth from nanovoids and the melting model construction

A new model for the solid melting point T_m(D) from nanovoids is proposed through considering the liquid layer growth behavior. This model, which does not have any adjustable parameter, introduces the classical thermodynamic treatment, i.e., the liquid nucleation and growth theory, for nanoparticle melting. With increased void diameter D, T_m(D) approaches to T_m0. Moreover, T_m(D) > T_m0 for a small void (T_m0 is the bulk melting point). In other words, the solid can be significantly superheated especially when D decreases, even if the difference of interface energy is larger than zero. This finding can be expected from the negatively curved surface of the void. The model predictions are consistent with the molecular dynamic (MD) simulation results for argon solids. Moreover, the growth of liquid layer from void surface relies on both size and temperature, which directly determine liquid layer thickness, and only when liquid layer thickness reaches to a critical value, can void become instable. - Highlights: • A united model for the crystal melting point from nanovoids is established. • Melting point increases with decreased void size. • The result is expected from the negatively curved surface of the void. • The prediction is agreed well with the MD simulation results