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The coupled effects of geometry and surface orientation on the mechanical properties of metal nanowires

机译：几何形状和表面取向对金属纳米线机械性能的耦合效应

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We have performed atomistic simulations of the tensile loading of <100> and <110> copper nanowires to investigate the coupled effects of geometry and surface orientation on their mechanical behaviour and properties. By varying the nanowire cross section from square to rectangular, nanowires with dominant surface facets are created that exhibit distinct mechanical properties due to the different inelastic deformation mechanisms that are activated. In particular, we find that non-square nanowires generally exhibit lower yield stresses and strains, lower toughness, elevated fracture strains, and a propensity to deform via twinning; we quantify the links between the observed deformation mechanisms due to non-square cross section and the resulting mechanical properties, while illustrating that geometry can be utilized to tailor the mechanical properties of nanowires.
机译：我们已经对<100>和<110>铜纳米线的拉伸载荷进行了原子模拟，以研究几何形状和表面取向对其机械行为和性能的耦合影响。通过将纳米线的横截面从正方形变为矩形，可以创建具有主要表面小面的纳米线，这些纳米线由于被激活的不同的非弹性变形机制而具有不同的机械性能。特别是，我们发现非方形纳米线通常表现出较低的屈服应力和应变，较低的韧性，较高的断裂应变以及通过孪生变形的倾向;我们量化了由于非正方形横截面而导致的观察到的变形机制与所产生的机械性能之间的联系，同时说明了可以利用几何形状来定制纳米线的机械性能。

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