Melting at Mg/Al interface in Mg-Al-Mg nanolayer by molecular dynamics simulations

XQ Lv and XY Li, NANOTECHNOLOGY, 33, 145701 (2022).

DOI: 10.1088/1361-6528/ac45c1

The melting at the magnesium/aluminum (Mg/Al) interface is an essential step during the fabrications of Mg-Al structural materials and biomaterials. We carried out molecular dynamics simulations on the melting at the Mg/Al interface in a Mg-Al-Mg nanolayer via analyzing the changes of average atomic potential energy, Lindemann index, heat capacity, atomic density distribution and radial distribution function with temperature. The melting temperatures (T-m) of the nanolayer and the slabs near the interface are significantly sensitive to the heating rate (v(h)) over the range of v(h) <= 4.0 K ps(-1). The distance (d) range in which the interface affects the melting of the slabs is predicted to be (-98.2, 89.9) angstrom at v(h)-> 0, if the interface is put at d.=.0 and Mg (Al) is located at the left (right) side of the interface. The T-m of the Mg (Al) slab just near the interface (e.g. d = 4.0 angstrom) is predicted to be 926.8 K (926.6 K) at vh -> 0, with 36.9 K (37.1 K) below 963.7 K for the nanolayer. These results highlight the importance of regional research on the melting at an interface in the nanolayers consisting of two different metals.

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