Three-dimensional atomic packing in amorphous solids with liquid-like structure

Liquids and solids are two fundamental states of matter. However, our understanding of their three-dimensional atomic structure is mostly based on physical models. Here we use atomic electron tomography to experimentally determine the three-dimensional atomic positions of monatomic amorphous solids, namely a Ta thin film and two Pd nanoparticles. We observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Instead of forming icosahedra, the majority of pentagonal bipyramids arrange into pentagonal bipyramid networks with medium-range order. Molecular dynamics simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic metallic liquids, which rapidly grow in size and form more icosahedra during the quench from the liquid to the glass state. These results expand our understanding of the atomic structures of amorphous solids and will encourage future studies on amorphous-crystalline phase and glass transitions in non-crystalline materials with three-dimensional atomic resolution. Atomic electron tomography is used to determine the three-dimensional atomic structure of monatomic amorphous solids with liquid-like structure, which is characterized by the existence of pentagonal bipyramid networks with medium-range order.

Automated summary

Atomic electron tomography was used to experimentally determine the three-dimensional atomic structure of monatomic amorphous solids with liquid-like structure, revealing the prevalence of pentagonal bipyramid networks as the most common atomic motif. Molecular dynamics simulations further demonstrated the presence of these networks in monatomic metallic liquids.