Melting at Mg/Al interface in Mg–Al–Mg nanolayer by molecular dynamics simulations
Abstrak
Abstract 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) Å 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 Å) is predicted to be 926.8 K (926.6 K) at v h → 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.
Penulis (2)
Xue-Qi Lv
Xiong-Ying Li
Akses Cepat
- Tahun Terbit
- 2022
- Bahasa
- en
- Total Sitasi
- 3×
- Sumber Database
- CrossRef
- DOI
- 10.1088/1361-6528/ac45c1
- Akses
- Open Access ✓