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Effect of surface and internal defects on the mechanical properties of metallic glasses

机译:表面和内部缺陷对金属玻璃力学性能的影响

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摘要

Despite the significance of surface effects on the deformation behaviours of small-scale metallic glasses, systematic investigations on surface states are lacking. In this work, by employing atomistic simulations, we characterise the distributions of local inhomogeneity near surfaces created by casting and cutting, along with internal distributions in pristine and irradiated bulk specimens, and investigate the effects of inhomogeneity on the mechanical properties. The cast surface shows enhanced yield strength and degrees of shear localisation, while the cut surface shows the opposite effects, although the fraction of vibrational soft spots, known to indicate low-energy barriers for local rearrangement, is high near both surfaces. Correspondingly, plastic deformation is initiated near the cut surface, but far from the cast surface. We reveal that improved local orientational symmetry promotes strengthening in cast surfaces and originates from the effectively lower quenching rate due to faster diffusion near the surface. However, a significant correlation among vibrational soft spots, local symmetries, and the degree of shear localisation is found for the pristine and irradiated bulk materials. Our findings reveal the sensitivity of the surface state to the surface preparation methods, and indicate that particular care must be taken when studying metallic glasses containing free surfaces.
机译:尽管表面效应对小型金属玻璃的变形行为具有重要意义,但仍缺乏对表面状态的系统研究。在这项工作中,通过使用原子模拟,我们表征了铸造和切割产生的表面附近的局部不均匀性的分布,以及原始和受辐照的大块试样的内部分布,并研究了不均匀性对机械性能的影响。铸件表面显示出增强的屈服强度和剪切局部化程度,而切割表面显示出相反的效果,尽管振动软斑的百分比(已知表明局部重新排列的低能垒)在两个表面附近都很高。相应地,塑性变形在切割表面附近开始,但远离铸件表面开始。我们发现改进的局部定向对称性促进了铸件表面的强化,并归因于由于在表面附近更快的扩散而导致的有效降低的淬火速率。但是,对于原始的和辐射的散装材料,发现振动软点,局部对称性和剪切局部化程度之间存在显着的相关性。我们的发现揭示了表面状态对表面制备方法的敏感性,并表明在研究含有自由表面的金属玻璃时必须格外小心。

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