Crystallization behavior of a confined CuZr metallic liquid film with a sandwich-like structure.

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ID: 20569
2019
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Ranked #85 of 184 articles by views in Physical chemistry chemical physics : PCCP

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Abstract
Despite the fact that its crystal state is thermodynamically stable, CuZr alloy is prone to form metastable glass at a high cooling rate. However, the confinement can induce nano-crystallization with a novel sandwich-like hierarchical structure consisting of pure Cu layers, pure Zr layers and mixed layers by conducting molecular dynamics simulations. The liquid-to-crystal transition temperature and interatomic repulsion softness display abnormal oscillations, instead of monotonous variation, as the wall-wall separation increases. When the confinement size is 10 Å and 12 Å, the transition temperature reaches a maximum, resulting from the pending new sandwich layer. The atomic movement and dynamical heterogeneity are demonstrated to play a vital role in the abnormal oscillation behavior of physical properties of the nano confined metallic glass. The sandwich-like structure can alter the Cu-Zr bond fraction, which eventually influences the liquid-to-crystal transition temperature and interatomic repulsion softness. Our findings provide a deep insight into the hierarchical nanostructures and its liquid-to-crystal transition characteristics under confinement at the atomic level.
Reference Key
duan2019crystallizationphysical Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Duan, Yunrui;Li, Jie;Zhang, Xingfan;Li, Tao;Arandiyan, Hamidreza;Jiang, Yanyan;Li, Hui;
Journal Physical chemistry chemical physics : PCCP
Year 2019
DOI
10.1039/c9cp02254f
URL
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