Structural heterogeneity and medium-range order in ZrxCu100-x metallic glasses
Structural heterogeneity and medium-range order in ZrxCu100-x metallic glasses
复制标题
ZrxCu100-x 金属玻璃的结构异质性和中程有序
DOI：
10.1103/physrevb.80.184201
复制
发表时间：
2009-11-01
影响因子：
3.7
通讯作者：
Ho, K. M.
中科院分区：
文献类型：
--
作者：
Li, Maozhi;Wang, C. Z.;Ho, K. M.
采用x射线衍射实验和计算模型相结合的方法，构建了ZrxCu100-x （x=35,50）块状金属玻璃的真实三维原子结构。提出了一种分析非晶体系中程有序度的聚类相关方法。我们发现玻璃体系由一个由二十面体簇形成的弦状主干网络和一个填充在剩余空间的液体状结构组成。这些发现与我们用嵌入原子法对ZrCu体系进行的独立经典分子动力学研究结果一致。这种非均质结构提供了动力学非均质和玻璃形成的基本结构视角。
Realistic three-dimensional atomistic structures of ZrxCu100-x (x=35,50) bulk metallic glasses are constructed using a combination of x-ray diffraction experiment and computational modeling. A cluster correlation method is developed to analyze the medium-range order in amorphous systems. We show that the glass systems consist of a stringlike backbone network formed by icosahedral clusters and a liquidlike structure filling in the remaining space. These findings are consistent with those obtained from our independent classical molecular-dynamics studies with embedded-atom method potential for ZrCu system. Such a heterogeneous structure provides a fundamental structural perspective of dynamical heterogeneity and glass formation.