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A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases

机译：Al-10型中SM网络的比较研究。％SM玻璃和相关结晶相

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The Al-Sm system is selected as a model system to study the transition process from liquid and amorphous to crystalline states. In recent work, we have shown that, in addition to long-range translational periodicity, crystal structures display well-defined short-range local atomic packing motifs that transcends liquid, amorphous and crystalline states. In this paper, we investigate the longer range spatial packing of these short-range motifs by studying the interconnections of Sm-Sm networks in different amorphous and crystalline samples obtained from molecular dynamics simulations. In our analysis, we concentrate on Sm-Sm distances in the range similar to 5.0-7.2 angstrom, corresponding to Sm atoms in the second and third shells of Sm-centred clusters. We discover a number of empirical rules characterising the evolution of Sm networks from the liquid and amorphous states to associated metastable crystalline phases experimentally observed in the initial stages of devitrification of different amorphous samples. As direct simulation of glass formation is difficult because of the vast difference between experimental quench rates and what is achievable on the computer, we hope these rules will be helpful in building a better picture of structural evolution during glass formation as well as a more detailed description of phase selection and growth during devitrification.
机译：选择AL-SM系统作为模型系统，以研究从液体和无定形到晶体状态的过渡过程。在最近的工作中，我们已经表明，除了远程平移周期性之外，晶体结构还显示出明确定义的短距离局部原子包装基序，其超越液体，无定形和晶体状态。在本文中，我们通过研究从分子动力学模拟中获得的不同无定形和晶体样品中的SM-SM网络的互连来研究这些短程图案的较长范围的空间包装。在我们的分析中，我们专注于类似于5.0-7.2埃的SM-SM距离，对应于第二和第三壳体中的SM原子。我们发现许多经验规则，其特征在于在不同无定形样品的缺失的初始阶段实验观察到的液体和非晶态的SM网络的演变。由于实验淬火率之间的巨大差异和计算机上可实现的巨大差异，因此难以实现玻璃形成的巨大差异，我们希望这些规则在玻璃形成和更详细的描述中建立更好的结构演变的效果。透透中期间的相位选择和生长。

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