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利用分子动力学模拟研究Cu_(100-x)Ni_x(x=5,10和15)纳米杆单向拉伸过程,比较分析了不同Ni含量对应力-应变关系的影响,并且应用HA键对指数方法对重要应变处的结构进行了分析。模拟结果显示,Ni含量增加对最大应力影响不大,其影响主要发生在拉伸后期,使应力下降更加迅速。拉伸过程中,主要的键对指数是1441、1661和1551。1551指数含量减少使得1441和1661指数含量升高,导致了应力值升高;反之亦然。Ni含量越大,对于成键总量变化影响也越大。
The molecular dynamics simulation was used to study the uniaxial tensile process of Cu_ (100-x) Ni_x (x = 5, 10 and 15) nanorods. The effect of different Ni contents on the stress- Method The structure of the important strain is analyzed. The simulation results show that the increase of Ni content has little effect on the maximum stress, and its influence mainly occurs in the late stage of drawing, which makes the stress drop more rapidly. During the stretching process, the main bond index is 1441, 1661 and 1551.1551 The decrease of index content leads to the increase of 1441 and 1661 index, leading to the increase of stress value and vice versa. The greater Ni content, the greater the impact on the total amount of bonding changes.