Atomic structure of binary Cu64.5Zr35.5 bulk metallic glass
Atomic structure of binary Cu64.5Zr35.5 bulk metallic glass
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二元Cu64.5Zr35.5块体金属玻璃的原子结构
DOI：
10.1063/1.2828694
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发表时间：
2008-01-07
影响因子：
4
通讯作者：
Jin, Z. H.
中科院分区：
文献类型：
--
作者：
Wang, X. D.;Yin, S.;Jin, Z. H.
采用实验和计算相结合的方法，研究了大块非晶形成Cu64.5Zr35.5和共晶组成Cu61.8Zr38.2金属玻璃的原子结构。建立了Cu64.5Zr35.5 MG的三维原子构型。结果表明，两个MG中均以二十面体团簇为主.然而，以Cu原子为中心的二十面体状簇在Cu64.5Zr35.5中具有略微致密的堆积和较少的扭曲，这可以通过抑制原子运动和增加与竞争晶相的结构不相容性来增强玻璃形成能力（GFA）。从短到中程秩序的原子排列的设想和两个MG之间的比较。
Atomic structures of bulk glass-forming Cu64.5Zr35.5 and the eutectic composition Cu61.8Zr38.2 metallic glasses (MGs) have been studied by a combination of state-of-the-art experimental techniques and computational methods. Three-dimensional atomic configuration of the Cu64.5Zr35.5 MG is established. It is found that icosahedronlike clusters are dominant in both MGs. However, icosahedronlike clusters centered by Cu atoms are slightly denser packing and less distorted in Cu64.5Zr35.5, which can enhance the glass forming ability (GFA) by suppressing atomic movements and increasing the structural incompatibility with competing crystalline phases. The atomic arrangements from short to medium-range order are envisaged and compared between both MGs.