Department of Mechanics and Engineering Science, LTCS, and CAPT, College of Engineering, Peking University, Beijing 100871, China.
Department of Physics, Beijing Key Laboratory of Opto-electronic Functional Materials and Micro-nano Devices, Renmin University of China, Beijing 100872, China.
Nat Commun. 2015 Jan 12;6:6035. doi: 10.1038/ncomms7035.
Unlike the well-defined long-range periodic order that characterizes crystals, so far the inherent atomic packing mode in glassy solids remains mysterious. Based on molecular dynamics simulations, here we find medium-range atomic packing orders in metallic glasses, which are hidden in the diffraction data in terms of structure factors or pair correlation functions. The analysis of the hidden orders in various metallic glasses indicates that the glassy and crystalline solids share a nontrivial structural homology in short-to-medium range, and the hidden orders are formulated by inheriting partial crystalline orders during glass formation. As the number of chemical components increases, more hidden orders are often developed in a metallic glass and entangled topologically. We use this phenomenon to explain the geometric frustration in glass formation and the glass-forming ability of metallic alloys.
与晶体中具有明确定义的长程周期性有序不同，迄今为止，玻璃态固体中固有的原子堆积模式仍然神秘莫测。基于分子动力学模拟，我们在这里发现了金属玻璃中的中程原子堆积有序，这些有序在结构因子或对关联函数的衍射数据中是隐藏的。对各种金属玻璃中隐藏有序的分析表明，玻璃态和晶态固体在短程到中程范围内具有重要的结构同形性，隐藏有序是通过在玻璃形成过程中继承部分晶体有序而形成的。随着化学成分数量的增加，金属玻璃中通常会发展出更多的隐藏有序，并在拓扑上纠缠在一起。我们利用这一现象来解释玻璃形成中的几何阻挫和金属合金的成玻能力。
