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Molecular-Dynamics Simulations of Stacking-Fault-Induced Dislocation Annihilation in Prestrained Ultrathin Single-Crystalline Copper Films

机译:预应变超薄单晶铜膜中堆垛层错引起的位错湮灭的分子动力学模拟

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摘要

We report results of large-scale molecular-dynamics simulations of dynamic deformation under biaxial tensile strain of prestrained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that stacking faults, which are abundantly present in fcc metals, may play a significant role in the dissociation, cross slip, and eventual annihilation of dislocations in small-volume structures of fcc metals. The underlying mechanisms are mediated by interactions within and between extended dislocations that lead to annihilation of Shockley partial dislocations or formation of perfect dislocations. Our findings demonstrate dislocation starvation in small-volume structures with ultrathin film geometry, governed by a mechanism other than dislocation escape to free surfaces, and underline the significant role of geometry in determining the mechanical response of metallic small-volume structures.
机译:我们报告了预应变的单晶纳米尺度厚面心立方(fcc)铜膜双轴拉伸应变下动态变形的大规模分子动力学模拟的结果。我们的结果表明,在fcc金属中大量存在的堆垛层错可能在fcc金属的小体积结构中的解离,交叉滑移和最终的位错消失中起重要作用。潜在位错的机制是由位错内部和位错之间的相互作用介导的,这些相互作用导致肖克利局部位错的an灭或形成完美位错。我们的发现表明,具有超薄膜几何形状的小体积结构中的位错饥饿,受位错逸出到自由表面以外的机制控制,并强调了几何在确定金属小体积结构的机械响应中的重要作用。

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