Hu Yuan-Chao, Tanaka Hajime, Wang Wei-Hua
Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
University of Chinese Academy of Sciences, Beijing 100049, China.
Phys Rev E. 2017 Aug;96(2-1):022613. doi: 10.1103/PhysRevE.96.022613. Epub 2017 Aug 29.
Metallic glasses (MGs) have so far attracted considerable attention for their applications as bulk materials. However, new physics and applications often emerge by dimensional reduction from three dimensions (3D) to two dimensions (2D). Here, we study, by molecular dynamics simulations, how the liquid-to-glass transition of a binary Cu_{50}Zr_{50} MG is affected by spatial dimensionality. We find clear evidence that crystal-like structural ordering controls both dynamic heterogeneity and slow dynamics, and thus plays a crucial role in the formation of the 2DMG. Although the 2DMG reproduces the dynamical behaviors of its 3D counterpart by considering Mermin-Wagner-type fluctuations specific to 2D, this atomic-scale structural mechanism is essentially different from that for the 3DMG in which icosahedral clusters incompatible with crystallographic symmetry play a key role in glassy behaviors. Our finding provides a structural mechanism for the formation of 2DMGs, which cannot be inferred from the knowledge of 3DMGs. The results suggest a structural basis for the glass transition in 2DMG and provide possible explanations for some previous experimental observations in ultrathin film MGs.
金属玻璃(MGs)作为块状材料的应用至今已引起了广泛关注。然而,新的物理现象和应用往往通过从三维(3D)到二维(2D)的维度缩减而出现。在此,我们通过分子动力学模拟研究了二元Cu₅₀Zr₅₀金属玻璃的液-固转变如何受到空间维度的影响。我们发现明确的证据表明,类似晶体的结构有序性控制着动力学不均匀性和慢动力学,因此在二维金属玻璃(2DMG)的形成中起着关键作用。尽管二维金属玻璃通过考虑二维特有的默明-瓦格纳型涨落来重现其三维对应物的动力学行为,但这种原子尺度的结构机制与三维金属玻璃的本质不同,在三维金属玻璃中,与晶体学对称性不相容的二十面体团簇在玻璃态行为中起关键作用。我们的发现为二维金属玻璃的形成提供了一种结构机制,这是无法从三维金属玻璃的知识中推断出来的。这些结果为二维金属玻璃中的玻璃转变提供了结构基础,并为先前在超薄金属玻璃薄膜中的一些实验观察提供了可能的解释。