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采用分子动力学方法对液态Al的凝固过程中的微观结构转变特性进行了模拟研究.发现在凝固过程中以1551键型数目的变化最为显著.模拟结果表明:随着温度降低,系统有序度增加,无序度下降。
The molecular dynamics method was used to simulate the microstructural transition of liquid Al during solidification. It is found that the number of 1551 bond types changes most significantly during solidification. The simulation results show that as the temperature decreases, the orderliness of the system increases and the degree of disorder decreases.