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Fundamental differences in the plasticity of periodically twinned nanowires in Au, Ag, Al, Cu, Pb and Ni

机译:周期性孪晶纳米线在Au、Ag、Al、Cu、Pb和Ni中的塑性存在根本差异

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摘要

The role played by nanoscale twins is becoming increasingly important in order to understand plasticity in nanowires synthesized from metals. In this paper, molecular dynamics simulations were performed to investigate the synergistic effects of stacking fault energy and twin boundary on the plasticity of a periodically twinned face-centered cubic (fcc) metal nanowire subjected to tensile deformation. Circular nanowires containing parallel (111) coherent twin boundaries (CTBs) with constant twin boundary spacing were simulated in Au, Ag, Al, Cu, Pb and Ni using different embedded-atom-method interatomic potentials. The simulations revealed a fundamental transition of plasticity in twinned metal nanowires from sharp yield and strain-softening to significant strain-hardening as the stacking fault energy of the metal decreases. This effect is shown to result from the relative change, as a function of the unstable stacking fault energy, between the stress required to nucleate new dislocations from the free surface and that to overcome the resistance of CTBs to the glide of partial dislocations. The relevance of our predictions to realistic nanowires in terms of microstructure, geometry and accuracy in predicting the generalized planar and stacking fault energy curves is also addressed. Our findings show clear evidence that the plastic flow of twinned nanowires under tension differs markedly between fcc metals, which may reconcile some conflicting observations made in the past.
机译:纳米级孪生所起的作用对于了解由金属合成的纳米线的可塑性变得越来越重要。本文通过分子动力学模拟研究了叠层断层能量和孪晶边界对拉伸变形下周期性孪晶面心立方(fcc)金属纳米线塑性的协同作用。采用不同的嵌入原子法原子间势,模拟了金、银、铝、铜、铅和镍中含有恒定双边界间距的平行(111)相干双边界(CTBs)的圆纳米线。模拟结果显示,随着金属堆叠断层能量的降低,孪晶金属纳米线的塑性发生了根本性转变,从急剧屈服和应变软化到显著的应变硬化。这种效应被证明是由于不稳定堆叠断层能量的函数,在从自由表面成核新位错所需的应力与克服CTB对部分位错滑动的阻力之间的应力之间的相对变化造成的。还讨论了我们的预测在微观结构、几何形状和预测广义平面和堆叠断层能量曲线的准确性方面与现实纳米线的相关性。我们的研究结果显示了明确的证据表明,在张力下孪晶纳米线的塑性流动在FCC金属之间明显不同,这可能与过去的一些相互矛盾的观察结果相一致。

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