标题： 尺寸相关的铜和银纳米线拉伸行为及位错动力学：分子动力学研究 显示英文标题

标题： Size-Dependent Tensile Behavior and Dislocation Dynamics in Cu and Ag Nanowires: A Molecular Dynamics Study

摘要： 通过分子动力学模拟，研究考察了铜和银纳米线在拉伸载荷下的响应，以阐明它们的纳米尺度变形机制。 结果表明，这两种金属纳米线表现出显著不同的应力-应变趋势，银纳米线在相同直径下表现出更大的弹性刚度和更高的屈服点——这种效应可能源于银更强的原子键合和更稳定的微观结构。 观察到明显的尺寸效应：随着纳米线直径减小，屈服强度和极限抗拉强度显著增加，这种行为是由表面原子比例更高所驱动的，这些表面原子增强了位错的形核和迁移率。 原子尺度分析进一步强调了位错在塑性变形中的主导作用，并且尤其揭示了在较细的纳米线中，由表面引发的位错对其断裂行为产生关键影响。 显示英文摘要

摘要： By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires follow notably different stress - strain trends, with silver wires exhibiting greater elastic stiffness and higher yield points at equivalent diameters - an effect likely rooted in silver's stronger atomic bonding and more stable microstructure. A pronounced size effect is observed: as the wire diameter diminishes, both the yield strength and ultimate tensile strength increase substantially, a behavior driven by the higher proportion of surface atoms that enhance dislocation nucleation and mobility. Atomistic analyses further underscore the dominant role of dislocations during plastic deformation, and in particular reveal that surface - initiated dislocations in thinner wires critically affect their fracture behavior.