Icosahedral clustering with medium-range order and local elastic properties of amorphous metals
Icosahedral clustering with medium-range order and local elastic properties of amorphous metals
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DOI：
10.1016/j.actamat.2010.03.029
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发表时间：
2010-06
期刊：
影响因子：
9.4
通讯作者：
M. Wakeda;Y. Shibutani
中科院分区：
文献类型：
--
作者：
M. Wakeda;Y. Shibutani
本文重点研究了非晶态金属中程有序二十面体团簇与局部弹性性质的关系。在分子动力学模拟框架下，采用快淬法构造的铜-锆二元非晶态模型，Voronoi多面体分析表明，二十面体在空间上不是随机分布的，而是形成具有中程有序的互穿特征的二十面体团簇。结果表明，与独立存在的二十面体和配位数较低的其他多面体相比，高度发展的互穿二十面体团簇中二十面体的中心原子具有更高的局域弹性模量。
The paper focuses on the relationship between icosahedral clustering with medium-range order in amorphous metals and local elastic properties. Using a Cu–Zr binary amorphous model constructed by rapid quenching in the framework of molecular dynamics simulations, Voronoi polyhedra analysis shows that the icosahedra are not randomly distributed in space, but form characteristic interpenetrating icosahedral clustering with medium-range order. It is shown that the center atoms of icosahedra within the highly developed interpenetrating icosahedral clusters have higher local elastic moduli than those of independently existing icosahedra and other polyhedra with lower coordination numbers.