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Atomistic Studies of Plasticity in Nanophase Metals

机译:纳米金属可塑性的原子学研究

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摘要

Molecular dynamics computer simulation of nanocrystalline Ni and Cu with mean grain sizes ranging from 5 to 20 nm show that grain boundaries in nanocrystalline metals have structures similar to most grain boundaries found in conventional polycrystalline materials. Moreover, the excess enthalpy density in grain boundaries and triple junctions appears to be independent of grain in both, computer generated and experimental measured samples. Simulations of deformation under constant uniaxial stress demonstrate a change in deformation mechanism as function of grain size: at the smallest grain sizes all deformation is accommodated in the grain boundaries, at higher grain sizes, intragrain deformation is observed
机译:分子动力学计算机模拟的平均晶粒尺寸为5至20 nm的纳米晶Ni和Cu表明,纳米晶金属中的晶界具有与传统多晶材料中大多数晶界相似的结构。此外,在计算机生成和实验测量的样品中,晶界和三重结中的过量焓密度似乎与晶粒无关。在恒定单轴应力下的变形模拟表明,变形机制随晶粒尺寸而变化:在最小晶粒尺寸下,所有变形都容纳在晶界中;在较大晶粒尺寸下,观察到晶粒内变形

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