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Dynamic behaviour of multi-shell 14-7-1 gold nanowire under different axial tensile strains

机译:14-7-1多壳金纳米线在不同轴向拉伸应变下的动力学行为

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摘要

The dynamic behaviour of a multi-shell 14-7-1 Au nanowire is investigated and compared with that of a 7-1 Au nanowire under various tensile strains. The molecular dynamics ( MD) simulations performed in this study compute the frequency shift and change in intensity of the characteristic frequency peaks of the phonon density of states of the global and substructure atoms in the radial and axial directions. The results show that the frequency shift and intensity change of the characteristic frequency peaks in the strained 14-7-1 nanowire are caused by a change in the radial atomic coupling and a higher degree of structural anisotropy due to the applied strain.
机译:研究了多壳14-7-1 Au纳米线在各种拉伸应变下的动力学行为,并将其与7-1 Au纳米线的动力学行为进行了比较。这项研究中进行的分子动力学(MD)仿真计算了径向和轴向整体和子结构原子状态的声子密度的特征频率峰的频移和强度变化。结果表明,应变的14-7-1纳米线中特征频率峰的频移和强度变化是由于径向原子耦合的变化以及所施加的应变导致结构各向异性更高而引起的。

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