Abstract
Fe–Ni alloy nanowires are widely used in high-density magnetic memories and catalysts due to their unique magnetic and electrochemical properties. Understanding the deformation mechanism and mechanical property of Fe–Ni alloy nanowires is of great importance for the development of devices. However, the detailed deformation mechanism of the alloy nanowires at different temperatures is unclear. Herein, the deformation mechanism of Fe–Ni alloy nanowires and their mechanical properties were investigated via the molecular dynamics simulation method. It was found that the local atomic pressure fluctuation of the Fe–Ni alloy nanowire surface became more prominent with an increase in the Ni content. At low temperature conditions (<50 K), the plastic deformation mechanism of the Fe–Ni alloy nanowires switched from the twinning mechanism to the dislocation slip mechanism with the increase in the Ni content from 0.5 at% to 8.0 at%. In the temperature range of 50–800 K, the dislocation slip mechanism dominated the deformation. Simulation results indicated that there was a significant linear relationship between the Ni content, temperature, and ultimate stress in the temperature range of 50–800 K. Our research revealed the association between the deformation mechanism and temperature in Fe–Ni alloy nanowires, which may facilitate new alloy nanowire designs.
Highlights
Magnetic nanowires (NWs) have attracted increasing attention for their distinctive properties[1] and show great potential in applications such as ultrahigh-density storage devices,[2] probes,[3,4,5] nanomotors,[6] catalysts,[7,8,9] and electrical devices.[10,11] The design, manufacture, and application of NW-based devices are highly dependent on the mechanical properties of NWs, which are always signi cantly different from their bulk counterparts owing to their extremely small diameters and large surface-to-volume ratios
It was found that the local atomic pressure fluctuation of the Fe–Ni alloy nanowire surface became more prominent with an increase in the Ni content
Choudhary et al investigated the effect of orientation on the deformation of body centered cubic (BCC) iron NWs under tensile loading; the results indicated that the deformation mechanism varied with crystal orientation.[34]
Summary
Magnetic nanowires (NWs) have attracted increasing attention for their distinctive properties[1] (magnetic, electrical and mechanical) and show great potential in applications such as ultrahigh-density storage devices,[2] probes,[3,4,5] nanomotors,[6] catalysts,[7,8,9] and electrical devices.[10,11] The design, manufacture, and application of NW-based devices are highly dependent on the mechanical properties of NWs, which are always signi cantly different from their bulk counterparts owing to their extremely small diameters and large surface-to-volume ratios. Ackland et al found that a totally different deformation mechanism applies for the tension and compression of the nanopillars of BCC Fe: dislocation glide in compression and twinning in tension, which is consistent with the experimentally-observed asymmetry in the nanopillar morphology.[38] Dutta investigated the dislocation activities underlying the compressive deformation of BCC-iron nanopillars at a high strain rate They found a direct correspondence between the bursts in dislocation activities and jerky deformation of the pillar.[39] Temperature has a pronounced effect on the deformation mechanism switch with the dislocation-plus-twinning mechanism shi ing to completely dislocation-mediated mechanism as the temperature increases. The tension strain was performed along the [001] direction at a rate of 8 Â 108 sÀ1 with canonical (NVT) ensemble
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