Molecular dynamics (MD) simulations based on the embedded atomic method (EAM) are used to study the annealing effect on elastic and structural behavior for different cooling rates of binary ${\mathrm{Mg}}_{25}{\mathrm{Al}}_{75}$metallic glasses (MGs). Firstly, we examine the cooling rates effect ($5\times {10}^{11}K/s$, ${10}^{12}K/s,$ $5\times {10}^{12}K/s$ and ${10}^{13}K/s$) on the atomic locale structure of ${\mathrm{Mg}}_{25}{\mathrm{Al}}_{75}$MG through a variety of local structure analysis methods such as bond angle distribution (BAD), total and partial radial distribution function (RDF), Voronoi tessellation analyses (VTA) and coordination numbers (CNs). Our results confirm that the ${\mathrm{Mg}}_{25}{\mathrm{Al}}_{75}$ glass formation is proved by a splitting of the second peak in the RDF upon quenching process. The$<0,0,12,0>,<0,1,10,2>$ and$<0,2,8,4>$ Voronoi polyhedrons (VPs) have been depicted as the most dominant polyhedrons in the system, and we have found that the $<0,0,12,0>,<0,1,10,2>$ clusters increase while the $<0,2,8,4>$ cluster decreases as a function of the decrease of the cooling rate. Via the Went-Abraham parameter, our numerical results show an increase of the glass transition temperature (T_g) with increasing of cooling rate. Finally, we heat-treated the binary ${\mathrm{Mg}}_{25}{\mathrm{Al}}_{75}$MG samples at the aging temperature 450 K during period varying from 0 to 5 ns for four different quenching rates. We observed that the elastic constants ${\mathrm{C}}_{11}$and ${\mathrm{C}}_{44}$ increase while ${\mathrm{C}}_{12}\mathrm{decreases}$ as the annealing time increases and the quenching rate decreases. This has been correlated with the elastic moduli, where Young’s modulus (E), bulk modulus (B) and shear modulus (G) increase, which suggests the improvement of the elastic behavior, the resistance to compression and the resistance to the shear bands (SBs), respectively. We also found that at the atomic level in the short-range order (SRO), the $<0,0,12,0>\mathrm{and}<0,1,10,2>$ clusters and the degree of the five-fold symmetry increase as a function of the increase of annealing time.

基于嵌入原子方法 (EAM) 的分子动力学 (MD) 模拟用于研究退火对不同冷却速率的二元材料的弹性和结构行为的影响 ${\mathrm{镁}}_{25}{\mathrm{铝}}_{75}$金属玻璃 (MG)。首先，我们检查冷却速率效应（$5\times {10}^{11}钾/秒$, ${10}^{12}钾/秒,$ $5\times {10}^{12}钾/秒$ 和 ${10}^{13}钾/秒$) 的原子区域结构 ${\mathrm{镁}}_{25}{\mathrm{铝}}_{75}$MG 通过多种局部结构分析方法，如键角分布 (BAD)、全径向分布函数 (RDF)、Voronoi 镶嵌分析 (VTA) 和配位数 (CNs)。我们的结果证实，${\mathrm{镁}}_{25}{\mathrm{铝}}_{75}$淬火过程中 RDF 中第二个峰的分裂证明了玻璃的形成。这$<0,0,12,0>,<0,1,10,2>$ 和$<0,2,8,4>$ Voronoi 多面体 (VPs) 被描述为系统中最主要的多面体，我们发现 $<0,0,12,0>,<0,1,10,2>$ 集群增加，而 $<0,2,8,4>$簇随着冷却速率的降低而减少。通过 Went-Abraham 参数，我们的数值结果显示玻璃化转变温度 (T _g ) 随着冷却速率的增加而增加。最后，我们对二进制进行了热处理${\mathrm{镁}}_{25}{\mathrm{铝}}_{75}$MG 样品在 450 K 的时效温度下，在 0 到 5 ns 的时间段内，对于四种不同的淬火速率。我们观察到弹性常数${\mathrm{C}}_{11}$和 ${\mathrm{C}}_{44}$ 增加的同时 ${\mathrm{C}}_{12}\mathrm{减少}$ 随着退火时间的增加和淬火速率的降低。这与弹性模量相关，其中杨氏模量 (E)、体积模量 (B) 和剪切模量 (G) 增加，这表明弹性行为、压缩阻力和剪切带阻力的改善（ SB），分别。我们还发现，在短程有序 (SRO) 的原子水平上，$<0,0,12,0>和<0,1,10,2>$ 簇和五重对称度随着退火时间的增加而增加。