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Effect of Point Defects on the Tensile and Thermal Characteristics of Nickel–Aluminum Nanowire through Molecular Dynamics
Transactions of the Indian Institute of Metals ( IF 1.6 ) Pub Date : 2020-08-07 , DOI: 10.1007/s12666-020-02051-2
S. Gowthaman , T. Jagadeesha

The point defect has profound effect on the tensile characteristics such as yield stress and yield strain of any material. In this study, the influence of point defect (1%, 1.5% and 2%) on Ni–Al (B2 crystal structure) nanowire has been analyzed through molecular dynamics simulation. The uniaxial tensile load of 6 × 108/s has been applied along [001] direction under various temperature conditions such as 300 K, 450 K and 600 K to analyze the resulting outcomes which arise from the point defects and temperature and found that the increase in point defect concentration leads to the decline of the yield stress by around 9.7%, 13.2% and 17.42%, respectively, under ambient temperature condition (300 K). Besides, the increase in temperature under the same point defect concentration leads to the drop of the yield stress significantly. In addition to the above, it has been found that the point defect has a higher influence on the tensile characteristics of nanowire followed by the temperature effect.



中文翻译:

分子动力学研究点缺陷对镍铝纳米线拉伸和热性能的影响

点缺陷对诸如任何材料的屈服应力和屈服应变的拉伸特性具有深远的影响。在这项研究中,已经通过分子动力学模拟分析了点缺陷(1%,1.5%和2%)对Ni-Al(B2晶体结构)纳米线的影响。单轴拉伸载荷为6×10 8/ s已在[300],450 K和600 K等各种温度条件下沿[001]方向应用,以分析由点缺陷和温度引起的结果,发现点缺陷浓度的增加导致下降在环境温度条件下(300 K),屈服应力的最大值分别降低了约9.7%,13.2%和17.42%。此外,在相同点缺陷浓度下温度升高导致屈服应力显着下降。除上述以外,还发现点缺陷对纳米线的拉伸特性具有更高的影响,其次是温度效应。

更新日期:2020-08-08
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