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Temperature and size effect on the mechanical properties of indium phosphide nanowire: An atomistic study

机译:对磷化铟磷化铟的力学性能的温度和尺寸影响:原子学研究

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The mechanical properties of Indium Phosphide (InP) nanowire is an emerging issue due to its application as optoelectronic material. In this paper, atomistic simulations are conducted to find thermo-mechanical properties of Indium Phosphide (InP) nanowire under uniaxial tension. Vashishta potential is employed to define the atomic interactions between the atoms. The effect of variation of temperatures (100K-500K) on the tensile response of the InP nanowires is investigated in this study. Also, size effect is investigated for the temperature of 300 K by varying the cross sectional area of the nanowire. Results suggest that increment of temperature results in the failure of InP nanowire at a lower value of stress (from 8.60 GPa at 100K to 6.50 GPa at 500K) along with the decrement of Young's modulus. Results also suggest that size has little effect on the tensile properties of this nanowire. Finally, failure mechanisms of indium phosphide nanowire are also investigated from the atomic images obtained from the simulation results.
机译:磷化铟(InP)纳米线的机械性能是由于其作为光电材料的应用。在本文中,进行原子模拟,以在单轴张力下找到磷化铟(InP)纳米线的热力学性能。 Vashishta电位用于定义原子之间的原子相互作用。在本研究中研究了温度变化(100k-500k)对INP纳米线的拉伸响应的影响。而且,通过改变纳米线的横截面积来研究300k的温度的尺寸效果。结果表明,温度的增量导致INP纳米线在较低的压力值下(从8.60GPa为100k至6.50GPa),随着杨氏模量的递减。结果还表明,尺寸对该纳米线的拉伸性能几乎没有影响。最后,还从模拟结果获得的原子图像中研究了磷化铟纳米线的失效机制。

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