A novel welding technique of diffusion bonding for Zr-Cu metallic glass with pre-oxidized surfaces is proposed in this study, which is systematically investigated by molecular dynamics (MD) simulation. Compared with the conventional welding technique, the diffusion bonding process can be well implemented below the crystallization temperature of metallic glass. The obtained structure possesses glass–glass interfaces (GGIs) similar with those in nano-glasses. As revealed by MD simulation, the diffusion bonded metallic glasses possess enhanced mechanical strength and ductility that generally do not exist in nano-glasses and their bulk metallic glass counterparts. The GGIs are found to hinder the propagation of shear bands, where there is strong bonding between Zr and O and the segregated Cu and ZrO₂ clusters could induce extra plasticity. The results demonstrate that the diffusion bonding of metallic glass with pre-oxidized surfaces could provide an alternative approach in solving the longstanding issue of size limitation on metallic glasses.

本文提出了一种新的扩散焊接Zr-Cu金属玻璃预氧化表面的焊接技术，并通过分子动力学（MD）仿真系统地对其进行了研究。与传统的焊接技术相比，在金属玻璃的结晶温度以下可以很好地实施扩散结合工艺。所获得的结构具有与纳米玻璃相似的玻璃-玻璃界面（GGI）。如通过MD模拟所揭示的，扩散结合的金属玻璃具有增强的机械强度和延展性，这在纳米玻璃及其体金属玻璃对应物中通常不存在。发现GGI阻碍了剪切带的传播，其中Zr和O与偏析的Cu和ZrO ₂之间存在牢固的结合团簇可以诱导额外的可塑性。结果表明，金属玻璃与预氧化表面的扩散结合可以为解决长期存在的金属玻璃尺寸限制问题提供一种替代方法。