论文标题
直接观察单原子无定形材料中的3D原子包装
Direct observation of 3D atomic packing in monatomic amorphous materials
论文作者
论文摘要
液体和固体是物质的两个基本状态。但是,由于缺乏直接的实验确定,我们对液体和无定形固体的3D原子结构的理解仍然是投机性的。在这里,我们推进原子电子断层扫描,以首次确定单原子无定形材料中的3D原子位置,包括TA薄膜和两个PD纳米颗粒。我们观察到五角大楼是这些无定形材料中最丰富的原子基序。大多数五角形双矩阵并没有形成Icosahedra,而是将扩展到中等规模的网络。分子动力学模拟进一步表明,五角大楼的双锥体网络在单原子非晶液体中很普遍,在从液态到玻璃状态的淬灭过程中,它们在大小迅速生长并形成二十面体。预计实验方法和结果将在单原子水平上推进对无定形晶体相变和玻璃转变的研究。
Liquids and solids are two fundamental states of matter. However, due to the lack of direct experimental determination, our understanding of the 3D atomic structure of liquids and amorphous solids remained speculative. Here we advance atomic electron tomography to determine for the first time the 3D atomic positions in monatomic amorphous materials, including 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 networks that extend to medium-range scale. Molecular dynamic simulations further reveal that pentagonal bipyramid networks are prevalent in monatomic amorphous liquids, which rapidly grow in size and form icosahedra during the quench from the liquid state to glass state. The experimental method and results are expected to advance the study of the amorphous-crystalline phase transition and glass transition at the single-atom level.