The Molecular Dynamics Simulation of Magnetic Substance Ni

By means of constant-pressure molecular dynamics simulation technique, a series of semulations of glass transition of Ni have been performed. The atomic interaction via semiempirical embedded taom method many-body potential. The pair distributed function, the orientation order parameters and pair analysis technique are used to reveal the structural features of liquid metal and the structural evolution during rapid solidification. The glass transition temperature of liquid Ni are determined when the cooling rate is 2.8×10¹³K/s. The sedation result tell us that the order degree of the liquid Ni increases with the temperature decreases, and the glass transition of liquid Ni is 1010K or so. It is obvious that the sedation pair distributed function g（r） of Ni is in good agreement with the experiment data, which means the EAM can predict the liquid structure and glass transition of Ni correctly. The heights of the pair distributed function g（r） become larger and larger with the temperature decrease, which means the order degree of the liquid Ni has been strengthened and the coordination number become larger than high temperature, The orientation order parameter W₆ is nearly equal to -0.1698 when the temperature is low, which means the icosahedra exists in the low temperature liquid. The orientation order parameters Q₆ and W₆ are very important parameters to detect the liquid structure. The various bonded pairs in liquid Ni are the basic units when the liquid Ni solidifies. It gives us a dear micro-picture of liquid Ni and makes us understand it deeply.