冷却速度对Ga凝固过程的影响的模拟研究

A simulation study for the effects of cooling rate during solidification of Gallium

采用分子动力学方法对Ga在相同初始状态下以不同速度冷却的凝固过程中进行了模拟研究。发现 :以 3.38× 10 13 、3.38× 10 12 K/s的速度冷却 ,得到非晶态结构 ;以 2 .0 1× 10 11K/s的速度冷却 ,发生明显晶化 ,结晶转变温度约为 133K。这一结果 ,对于如何正确选择冷却速度获得优良材料性能 ,将具有重要的实际意义。

The effects of different cooling rates and the same initial conditions during solidification process of Ga has been studied by the molecular dynamics method. It has been found that :the amorphous structures are formed with cooling rate 3.38 ×10 13 K/s 、 3.38 ×10 12 K/s ; While, the crystal structures are formed with cooling rate 2.01 ×10 11 K/s . These results will have important practical significance to choose cooling rates correctly in order to obtain excellect mocroscopic properties.