论文标题
Au-Si金属玻璃中的五倍对称性
Five-fold Symmetry in Au-Si Metallic Glass
论文作者
论文摘要
半个多世纪以来，已经发现了第一批金属合金金属玻璃，但其原子结构仍然令人困惑。本文中，具有局部五倍对称性的Au 8 Si Dodecahedrons被揭示为Au-Si金属玻璃中的构建块，并且Au 8 Si Dodecahedrons的互连模式决定了中距离顺序。随着尺寸的降低，表面排序归因于Au 8 Si DodeCahedrons的基序转换为具有五倍对称的平面Au 5 Si Pyramids，因此Au 5 Si Pyramids的自组装导致有序的Au 2 Si Monolayer和最低能量的形成。此外，进行结构相似性分析以揭示不同维度结构特征的物理起源。 AU-SI的不形态是由于全球最小值周围的平滑能量景观引起的，而有序的表面结构是由于陡峭的能量景观而发生的。
The first metallic glass of Au-Si alloy has been discovered for over half a century, but its atomic structure is still puzzling. Herein, Au 8 Si dodecahedrons with local five-fold symmetry are revealed as building blocks in Au-Si metallic glass, and the interconnection modes of Au 8 Si dodecahedrons determine the medium-range order. With dimensionality reduction, the surface ordering is attributed to the motif transformation of Au 8 Si dodecahedrons into planar Au 5 Si pyramids with five-fold symmetry, and thus the self-assembly of Au 5 Si pyramids leads to the formation of the ordered Au 2 Si monolayer with the lowest energy. Furthermore, the structural similarity analysis is performed to unveil the physical origin of structural characteristics in different dimensions. The amorphism of Au-Si is due to the smooth energy landscape around the global minimum, while the ordered surface structure occurs due to the steep energy landscape.
