Cu50Ni50合金快速凝固的分子动力学模拟

采用分子动力学模拟的方法研究了Cu₅₀Ni₅₀合金在不同冷却速度下的凝固过程，利用均方位移、径向分布函数和结构可视化等方法分析其微观结构.并对凝固模型进行拉伸模拟，通过应力应变曲线和直观结构变化分析其性能.研究表明：冷却速度对Cu₅₀Ni₅₀合金凝固形成的结构有较大影响，随着冷却速度的升高，凝固形成的结构中晶体含量减少，在较低的冷却速度下，如冷却1×10¹²K/s时，Cu₅₀Ni₅₀合金凝固形成晶体结构；在较高的冷却速度下，如1×10¹⁴K/s时，Cu₅₀Ni₅₀合金凝固形成非晶体结构，且非晶Cu₅₀Ni₅₀合金的抗拉性能要优于晶体Cu₅₀Ni₅₀合金.

Molecular dynamics simulation of rapid solidification of Cu50Ni50 alloys

Molecular dynamics simulation was used to study the solidification process of Cu50Ni50 alloy at different cooling rates. The microstructure of Cu50Ni50 alloy was analyzed by means of azimuth shift, radial distribution function and structure visualization. The tensile simulation of the solidification model was carried out, and its properties were analyzed by stress-strain curves and visual structural changes. The results show that the cooling rate has a great influence on the structure formed by solidification of Cu50Ni50 alloy. With the increase of cooling rate, the crystal content of the structure formed by solidification decreases. At a lower cooling rate, such as 1×1012K/s, the crystal structure of Cu50Ni50 alloy is solidified. At a higher cooling rate, such as 1×1014K/s, the amorphous Cu50Ni50 alloy solidified to form an amorphous structure, and the tensile property of amorphous Cu50Ni50 alloy is better than that of crystalline Cu50Ni50 alloy.