Heterogeneous to Homogeneous Melting Transition Observed During a Single Process

XQ Lv and SX Cong and XY Li and CM Xia, CRYSTALS, 14, 1047 (2024).

DOI: 10.3390/cryst14121047

The melting mechanism at medium heating rates is unclear, owing to the lack of accurate characterizations of structural changes in poly- directional melting conditions. Here, a particular multilayered nanostructure was selected to control the propagation of melting in a single direction. We predicted the heterogeneous to homogeneous melting (HeM to HoM) transition during a single melting process at medium heating rates of 10-400 K/ps by molecular dynamics (MD) simulations, without a change in heating rates. The information on structural changes for the HeM to HoM transition, including the loss of crystallinity and long- and short-range order, are clearly provided by both a single direction and the radial distribution functions. These results contribute to a more comprehensive understanding of the HeM to HoM transition induced by heating rates.

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