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利用开源的LAMMPS软件研究了Al_(0.75)Co_(0.25)合金的微观结构。对平均原子体积、双体分布函数和键角分布函数进行了分析。结果表明,随温度快速降低至900 K,该合金体系开始向玻璃态转变;在900~300 K这个降温过程中,径向分布函数g(r)第一峰的峰高随温度的降低反而增高,宽度变窄,第二峰出现明显的劈裂,体系呈非晶结构;温度降至300 K,键角分布函数g(θ)的第二峰峰高特别明显,表明液态Al_(0.75)Co_(0.25)合金的原子变得更加有序,同时1551键对含量增至27.5%,说明此时Al_(0.75)Co_(0.25)合金体系能很好转变为玻璃态。
The microstructure of Al_ (0.75) Co_ (0.25) alloy was investigated by using open source LAMMPS software. The average atomic volume, catamagnetic distribution function and bond angle distribution function were analyzed. The results show that the system begins to transform to glass state with the rapid decrease of temperature to 900 K. In the temperature range of 900-300 K, the peak height of the first peak of radial distribution function g (r) increases with the decrease of temperature , The width of which narrows and the second peak shows obvious cleavage. The temperature of the system decreases to 300 K and the second peak height of bond angle distribution function g (θ) (0.25) alloy becomes more orderly and the content of 1551 bond increases to 27.5%, indicating that the Al_ (0.75) Co_ (0.25) alloy system can transform well to the glassy state at this time.