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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Medium-range order and physical properties of Cu-20at.% Sb melts
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Medium-range order and physical properties of Cu-20at.% Sb melts

机译：Cu-20at。％Sb熔体的中程有序和物理性质

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摘要

Local structure of Cu-20at.%Sb melts has been studied by X-ray diffraction and ab initio molecular dynamics simulation. Pre-peaks in relation with medium-range order are observed in structure factor. Negative Warren-Cowley parameters reflect the existence of chemical order. With an obvious pre-peak, broadening intensities of Cu _3Sb are in good agreement with experimental results, indicating structure similarity of Cu _3Sb to ordered clusters in the melts. These imply that origin of pre-peaks is in relation with Cu _3Sb-like clusters. Abnormally large activation energy of viscous flow and negative temperature coefficient of resistivity are well interpreted as the existence of medium-range order clusters.
机译：通过X射线衍射和从头算分子动力学模拟研究了Cu-20at。％Sb熔体的局部结构。在结构因子中观察到与中等顺序有关的预峰。负的Warren-Cowley参数反映了化学顺序的存在。在一个明显的峰前，Cu _3Sb的扩展强度与实验结果吻合良好，表明Cu _3Sb的结构与熔体中的有序簇相似。这些暗示预峰的起源与类似Cu _3Sb的簇有关。粘性流的异常大的活化能和电阻率的负温度系数被很好地解释为存在中程阶团。

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