Abstract:

In this paper, a simulation study on the structural transitions of liquid metal Al at high temperature has been made by molecular dynamics (MD) method. It is demonstrated that with the increase of temperature, various types of bond have different variation rules, the numbers of the bonds related to the structures possessing high degree of order are decreased, namely, the degree of disorder of the system is increased. However, even the temperature is increased to 1773K (1.9Tm) the number of bonds being in nearly free state in the system is still only 8% of the total number of bonds.

Key words: Liquid metal, Structural transition, Molecular dynamics simulation