Abstract Structural changes in the Zr55Cu30Ni5Al10 liquid alloy on cooling from above the equilibrium liquidus temperature are studied by synchrotron radiation X-ray diffraction and compared with the results of first-principles molecular dynamics simulation. In-situ vitrification of the studied alloy is achieved using a containerless levitation technique. Subsequent analysis of the atomic and electronic structure of the alloy in liquid and glassy states reveals formation of medium-range order on cooling and its relationship with liquid fragility. The structural changes in this alloy are smaller in comparison with a more fragile one.

中文翻译：

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通过 X 射线衍射和分子动力学模拟原位监测玻璃化过程中 Zr-Cu-Ni-Al 玻璃形成液体的结构变化的原子学研究

摘要 利用同步辐射X射线衍射研究了Zr55Cu30Ni5Al10液态合金从平衡液相线温度以上冷却时的结构变化，并与第一性原理分子动力学模拟结果进行了比较。所研究合金的原位玻璃化是使用无容器悬浮技术实现的。随后对液态和玻璃态合金的原子和电子结构的分析揭示了冷却时中程有序的形成及其与液体脆性的关系。与更脆弱的合金相比，这种合金的结构变化较小。