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Atomistic study of liquid fragility and spatial heterogeneity of glassy solids in model binary alloys
NPG Asia Materials ( IF 9.7 ) Pub Date : 2023-09-08 , DOI: 10.1038/s41427-023-00493-w
Masato Wakeda , Tetsu Ichitsubo

Fragility is a fundamental property of glass-forming liquids. Here, we evaluated the liquid fragility and structural and dynamic heterogeneity of glassy solids for four model binary alloys. The most fragile alloy exhibited the maximum dynamic heterogeneity in the mechanical unfreezing process. The local atomic order contributed to structural and dynamic heterogeneities in the glassy solid. We observed that atomic displacement significantly correlated with degrees of clustering of local atomic orders. The clustering produced during the glass-forming quenching process enhanced structural and dynamic heterogeneities, especially in fragile glass alloys. Therefore, this alloy system exhibited correlations among liquid fragility, dynamic heterogeneity in liquid alloys, and dynamic and structural heterogeneities in glassy solids. We discussed the underlying physics of the correlation based on a theoretical model for fragility. These structural and dynamic analyses also provided deeper insights into the features of structural heterogeneity in glassy solids. The alloy with the most fragility exhibited the largest difference in atomic mobility between the densely and loosely packed local atomic orders, implying the greatest heterogeneity in the degree of packing density.



中文翻译:

模型二元合金中液体脆性和玻璃态固体空间异质性的原子研究

脆性是玻璃形成液体的基本特性。在这里,我们评估了四种模型二元合金的液体脆性以及玻璃态固体的结构和动态异质性。最脆弱的合金在机械解冻过程中表现出最大的动态不均匀性。局部原子序导致玻璃态固体的结构和动态异质性。我们观察到原子位移与局部原子序的聚类程度显着相关。玻璃形成淬火过程中产生的团簇增强了结构和动态不均匀性,特别是在易碎玻璃合金中。因此,该合金体系表现出液体脆性、液体合金的动态不均匀性以及玻璃态固体的动态和结构不均匀性之间的相关性。我们基于脆弱性理论模型讨论了相关性的基本物理原理。这些结构和动力学分析还为玻璃态固体的结构异质性特征提供了更深入的见解。最脆弱的合金在密集和松散堆积的局部原子有序之间表现出最大的原子迁移率差异,这意味着堆积密度程度的不均匀性最大。

更新日期:2023-09-08
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