Cu-Zr二元金属玻璃二十面体网络的连通性和急剧增长的静态长度尺度
Connectivity of the Icosahedral Network and a Dramatically Growing Static Length Scale in Cu-Zr Binary Metallic Glasses
摘要：
通过分子动力学（MD）方法研究了Cu 50 Zr 50和Cu 64 Zr 36金属玻璃（MG）的结构随温度的变化。有趣的是，在Cu_（64）Zr_（36）系统中，当它过冷时，出现了一个膨胀的二十面体网络。这导致我们引入静态长度尺度，其随着该三维系统接近玻璃化转变而急剧增长。在互穿连接中，二十面体之间的非互穿连接在过冷时变得普遍，并大大增强了MG的二十面体网络的连接性。此外，我们表征了二十面体网络及其组件的化学组成。这些研究结果表明，非互穿连接的重要性，促进广泛的结构网络中的Cu-Zr MG，这反过来又驱动这些材料的动力学放缓。
英文摘要：
We report on and characterize, via molecular dynamics (MD) studies, the evolution of the structure of Cu50Zr50 and Cu64Zr36 metallic glasses (MGs) as temperature is varied. Interestingly, a percolating icosahedral network appears in the Cu64Zr36 system as it is supercooled. This leads us to introduce a static length scale, which grows dramatically as this three dimensional system approaches the glass transition. Amidst interpenetrating connections, non-interpenetrating connections between icosahedra are shown to become prevalent upon supercooling and to greatly enhance the connectivity of the MG's icosahedral network. Additionally, we characterize the chemical compositions of the icosahedral networks and their components. These findings demonstrate the importance of non-interpenetrating connections for facilitating extensive structural networks in Cu-Zr MGs, which in turn drive dynamical slowing in these materials.
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